Browse entries in the PDBbind-CN Database
HEADER 4QY8_COMPLEX COMPND 4QY8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 114 GLN VAL GLN LEU GLN GLN SER GLY ASP GLU LEU VAL LYS SEQRES 2 A 114 PRO GLY ALA SER VAL LYS LEU SER CYS THR VAL SER GLY SEQRES 3 A 114 PHE ASN ILE LYS ASP ASP PHE ILE HIS TRP MET LYS GLN SEQRES 4 A 114 ARG PRO GLU GLN GLY LEU GLU TRP ILE GLY ARG ILE ASP SEQRES 5 A 114 PRO ALA ASN GLY TYR THR LYS TYR ALA PRO LYS PHE GLN SEQRES 6 A 114 ASP LYS ALA THR MET THR ALA ASP THR SER SER ASN THR SEQRES 7 A 114 ALA TYR LEU GLN LEU SER SER LEU ALA SER GLU ASP ALA SEQRES 8 A 114 ALA VAL TYR TYR CYS ALA THR TYR GLY VAL ALA TYR TRP SEQRES 9 A 114 GLY GLN GLY THR LEU VAL THR VAL SER ALA SEQRES 1 B 111 ASP ILE VAL LEU THR GLN SER PRO ALA SER LEU ALA VAL SEQRES 2 B 111 SER LEU GLY GLN ARG ALA THR ILE SER CYS LYS ALA SER SEQRES 3 B 111 GLN SER VAL ASP HIS ASP GLY ASP SER TYR MET ASN TRP SEQRES 4 B 111 PHE GLN GLN LYS PRO GLY GLN SER PRO LYS LEU LEU ILE SEQRES 5 B 111 TYR ALA ALA SER ASN LEU GLU SER GLY ILE PRO ALA ARG SEQRES 6 B 111 PHE SER GLY SER GLY SER GLY THR ASP PHE THR LEU ASN SEQRES 7 B 111 ILE HIS PRO VAL GLU GLU GLU ASP ALA ALA THR TYR TYR SEQRES 8 B 111 CYS GLN GLN THR ASN GLU ASP PRO TYR THR PHE GLY GLY SEQRES 9 B 111 GLY THR LYS LEU GLU ILE LYS HET ACE A 595 225 SSBOND 1 CYS A 22 CYS A 96 SSBOND 2 CYS B 23 CYS B 92 ATOM 1 N GLN A 1 31.254 -0.063 28.655 1.00 44.49 N ATOM 2 CA GLN A 1 30.744 1.125 29.329 1.00 38.32 C ATOM 3 C GLN A 1 29.287 1.366 28.943 1.00 28.26 C ATOM 4 O GLN A 1 28.755 0.704 28.052 1.00 34.03 O ATOM 5 CB GLN A 1 31.595 2.348 28.979 1.00 43.12 C ATOM 6 CG GLN A 1 31.484 3.478 29.985 1.00 46.80 C ATOM 7 CD GLN A 1 32.478 4.594 29.730 1.00 62.14 C ATOM 8 OE1 GLN A 1 33.008 4.729 28.627 1.00 70.31 O ATOM 9 NE2 GLN A 1 32.742 5.398 30.755 1.00 63.56 N ATOM 10 HE22 GLN A 1 32.270 5.247 31.670 1.00 0.00 H ATOM 11 HE21 GLN A 1 33.420 6.178 30.642 1.00 0.00 H ATOM 12 HN3 GLN A 1 31.192 0.070 27.625 1.00 0.00 H ATOM 13 HN2 GLN A 1 30.686 -0.889 28.934 1.00 0.00 H ATOM 14 HN1 GLN A 1 32.246 -0.215 28.927 1.00 0.00 H ATOM 15 N VAL A 2 28.651 2.314 29.618 1.00 25.09 N ATOM 16 CA VAL A 2 27.226 2.566 29.428 1.00 27.14 C ATOM 17 C VAL A 2 26.983 3.520 28.264 1.00 23.05 C ATOM 18 O VAL A 2 27.595 4.585 28.190 1.00 24.94 O ATOM 19 CB VAL A 2 26.596 3.164 30.698 1.00 27.30 C ATOM 20 CG1 VAL A 2 25.086 3.313 30.528 1.00 25.80 C ATOM 21 CG2 VAL A 2 26.917 2.295 31.908 1.00 33.06 C ATOM 22 H VAL A 2 29.181 2.893 30.300 1.00 0.00 H ATOM 23 N GLN A 3 26.090 3.120 27.362 1.00 17.42 N ATOM 24 CA GLN A 3 25.692 3.959 26.239 1.00 18.96 C ATOM 25 C GLN A 3 24.177 4.054 26.167 1.00 17.55 C ATOM 26 O GLN A 3 23.476 3.048 26.283 1.00 16.27 O ATOM 27 CB GLN A 3 26.220 3.385 24.925 1.00 20.37 C ATOM 28 H GLN A 3 25.662 2.177 27.462 1.00 0.00 H ATOM 29 N LEU A 4 23.687 5.275 25.974 1.00 13.49 N ATOM 30 CA LEU A 4 22.277 5.537 25.736 1.00 11.32 C ATOM 31 C LEU A 4 22.142 6.005 24.292 1.00 10.71 C ATOM 32 O LEU A 4 22.593 7.095 23.944 1.00 15.59 O ATOM 33 CB LEU A 4 21.732 6.593 26.708 1.00 12.04 C ATOM 34 CG LEU A 4 21.641 6.143 28.171 1.00 13.68 C ATOM 35 CD1 LEU A 4 23.000 6.271 28.840 1.00 19.14 C ATOM 36 CD2 LEU A 4 20.611 6.928 28.956 1.00 13.25 C ATOM 37 H LEU A 4 24.344 6.081 25.994 1.00 0.00 H ATOM 38 N GLN A 5 21.535 5.165 23.467 1.00 12.38 N ATOM 39 CA GLN A 5 21.389 5.440 22.044 1.00 12.26 C ATOM 40 C GLN A 5 19.960 5.862 21.760 1.00 11.51 C ATOM 41 O GLN A 5 19.038 5.054 21.860 1.00 12.98 O ATOM 42 CB GLN A 5 21.733 4.189 21.238 1.00 16.47 C ATOM 43 CG GLN A 5 21.497 4.327 19.739 1.00 28.67 C ATOM 44 CD GLN A 5 22.290 5.463 19.123 1.00 43.83 C ATOM 45 OE1 GLN A 5 23.364 5.823 19.606 1.00 47.79 O ATOM 46 NE2 GLN A 5 21.761 6.035 18.049 1.00 51.55 N ATOM 47 HE22 GLN A 5 20.851 5.698 17.675 1.00 0.00 H ATOM 48 HE21 GLN A 5 22.257 6.820 17.581 1.00 0.00 H ATOM 49 H GLN A 5 21.149 4.278 23.849 1.00 0.00 H ATOM 50 N GLN A 6 19.783 7.131 21.405 1.00 12.06 N ATOM 51 CA GLN A 6 18.455 7.669 21.164 1.00 11.53 C ATOM 52 C GLN A 6 18.084 7.571 19.689 1.00 12.31 C ATOM 53 O GLN A 6 18.953 7.526 18.812 1.00 15.59 O ATOM 54 CB GLN A 6 18.375 9.106 21.671 1.00 10.30 C ATOM 55 CG GLN A 6 18.456 9.188 23.189 1.00 10.29 C ATOM 56 CD GLN A 6 18.178 10.568 23.717 1.00 10.61 C ATOM 57 OE1 GLN A 6 19.050 11.206 24.304 1.00 10.20 O ATOM 58 NE2 GLN A 6 16.956 11.037 23.528 1.00 10.24 N ATOM 59 HE22 GLN A 6 16.250 10.462 23.026 1.00 0.00 H ATOM 60 HE21 GLN A 6 16.701 11.981 23.882 1.00 0.00 H ATOM 61 H GLN A 6 20.611 7.751 21.298 1.00 0.00 H ATOM 62 N SER A 7 16.784 7.519 19.433 1.00 12.88 N ATOM 63 CA SER A 7 16.263 7.352 18.084 1.00 13.59 C ATOM 64 C SER A 7 16.471 8.610 17.238 1.00 13.12 C ATOM 65 O SER A 7 16.839 9.669 17.746 1.00 12.19 O ATOM 66 CB SER A 7 14.789 6.962 18.149 1.00 14.18 C ATOM 67 OG SER A 7 14.061 7.831 18.996 1.00 13.76 O ATOM 68 HG SER A 7 14.126 8.757 18.652 1.00 0.00 H ATOM 69 H SER A 7 16.113 7.600 20.224 1.00 0.00 H ATOM 70 N GLY A 8 16.249 8.471 15.934 1.00 15.43 N ATOM 71 CA GLY A 8 16.568 9.521 14.986 1.00 18.06 C ATOM 72 C GLY A 8 15.645 10.720 15.080 1.00 15.72 C ATOM 73 O GLY A 8 14.525 10.629 15.587 1.00 14.23 O ATOM 74 H GLY A 8 15.835 7.584 15.584 1.00 0.00 H ATOM 75 N ASP A 9 16.121 11.846 14.563 1.00 16.74 N ATOM 76 CA ASP A 9 15.346 13.077 14.557 1.00 15.34 C ATOM 77 C ASP A 9 14.039 12.885 13.794 1.00 16.13 C ATOM 78 O ASP A 9 13.979 12.117 12.832 1.00 15.19 O ATOM 79 CB ASP A 9 16.158 14.212 13.930 1.00 19.43 C ATOM 80 CG ASP A 9 17.468 14.472 14.655 1.00 21.08 C ATOM 81 OD1 ASP A 9 17.615 14.056 15.829 1.00 19.59 O ATOM 82 OD2 ASP A 9 18.349 15.112 14.041 1.00 21.62 O ATOM 83 H ASP A 9 17.076 11.848 14.150 1.00 0.00 H ATOM 84 N GLU A 10 12.998 13.583 14.243 1.00 14.04 N ATOM 85 CA GLU A 10 11.675 13.464 13.642 1.00 15.04 C ATOM 86 C GLU A 10 11.049 14.821 13.353 1.00 15.59 C ATOM 87 O GLU A 10 11.030 15.704 14.208 1.00 16.57 O ATOM 88 CB GLU A 10 10.731 12.691 14.561 1.00 18.28 C ATOM 89 CG GLU A 10 11.165 11.272 14.873 1.00 17.97 C ATOM 90 CD GLU A 10 11.163 10.365 13.655 1.00 28.79 C ATOM 91 OE1 GLU A 10 10.583 10.748 12.617 1.00 27.09 O ATOM 92 OE2 GLU A 10 11.748 9.262 13.736 1.00 33.95 O ATOM 93 H GLU A 10 13.132 14.231 15.045 1.00 0.00 H ATOM 94 N LEU A 11 10.530 14.960 12.139 1.00 14.87 N ATOM 95 CA LEU A 11 9.671 16.080 11.780 1.00 15.95 C ATOM 96 C LEU A 11 8.229 15.626 11.981 1.00 17.51 C ATOM 97 O LEU A 11 7.804 14.632 11.393 1.00 19.41 O ATOM 98 CB LEU A 11 9.911 16.490 10.327 1.00 16.64 C ATOM 99 CG LEU A 11 9.054 17.635 9.775 1.00 17.20 C ATOM 100 CD1 LEU A 11 9.330 18.939 10.511 1.00 20.62 C ATOM 101 CD2 LEU A 11 9.289 17.811 8.278 1.00 18.41 C ATOM 102 H LEU A 11 10.745 14.242 11.418 1.00 0.00 H ATOM 103 N VAL A 12 7.487 16.353 12.814 1.00 15.57 N ATOM 104 CA VAL A 12 6.150 15.935 13.239 1.00 16.57 C ATOM 105 C VAL A 12 5.109 16.999 12.907 1.00 17.58 C ATOM 106 O VAL A 12 5.398 18.193 12.937 1.00 19.03 O ATOM 107 CB VAL A 12 6.119 15.655 14.766 1.00 16.15 C ATOM 108 CG1 VAL A 12 4.737 15.178 15.210 1.00 27.25 C ATOM 109 CG2 VAL A 12 7.174 14.630 15.137 1.00 17.07 C ATOM 110 H VAL A 12 7.871 17.249 13.175 1.00 0.00 H ATOM 111 N LYS A 13 3.897 16.563 12.588 1.00 17.50 N ATOM 112 CA LYS A 13 2.829 17.492 12.249 1.00 16.88 C ATOM 113 C LYS A 13 2.026 17.894 13.479 1.00 19.04 C ATOM 114 O LYS A 13 1.862 17.095 14.397 1.00 17.35 O ATOM 115 CB LYS A 13 1.896 16.862 11.225 1.00 21.61 C ATOM 116 CG LYS A 13 2.564 16.541 9.908 1.00 24.09 C ATOM 117 CD LYS A 13 1.590 15.872 8.975 1.00 28.41 C ATOM 118 CE LYS A 13 2.278 15.307 7.756 1.00 28.99 C ATOM 119 NZ LYS A 13 3.180 16.279 7.076 1.00 25.20 N ATOM 120 HZ1 LYS A 13 2.628 17.105 6.767 1.00 0.00 H ATOM 121 HZ2 LYS A 13 3.921 16.584 7.738 1.00 0.00 H ATOM 122 HZ3 LYS A 13 3.618 15.824 6.249 1.00 0.00 H ATOM 123 H LYS A 13 3.707 15.541 12.580 1.00 0.00 H ATOM 124 N PRO A 14 1.514 19.139 13.501 1.00 19.62 N ATOM 125 CA PRO A 14 0.689 19.555 14.639 1.00 18.40 C ATOM 126 C PRO A 14 -0.498 18.620 14.843 1.00 17.36 C ATOM 127 O PRO A 14 -1.145 18.231 13.872 1.00 20.93 O ATOM 128 CB PRO A 14 0.218 20.952 14.236 1.00 22.45 C ATOM 129 CG PRO A 14 1.275 21.447 13.315 1.00 24.80 C ATOM 130 CD PRO A 14 1.716 20.240 12.544 1.00 23.58 C ATOM 131 N GLY A 15 -0.756 18.249 16.094 1.00 17.64 N ATOM 132 CA GLY A 15 -1.872 17.383 16.426 1.00 17.97 C ATOM 133 C GLY A 15 -1.505 15.913 16.416 1.00 22.21 C ATOM 134 O GLY A 15 -2.237 15.083 16.955 1.00 25.53 O ATOM 135 H GLY A 15 -0.139 18.590 16.858 1.00 0.00 H ATOM 136 N ALA A 16 -0.373 15.587 15.799 1.00 19.45 N ATOM 137 CA ALA A 16 0.083 14.204 15.721 1.00 20.54 C ATOM 138 C ALA A 16 0.803 13.799 16.997 1.00 19.48 C ATOM 139 O ALA A 16 0.994 14.612 17.903 1.00 21.33 O ATOM 140 CB ALA A 16 1.004 14.018 14.524 1.00 21.86 C ATOM 141 H ALA A 16 0.201 16.336 15.362 1.00 0.00 H ATOM 142 N SER A 17 1.195 12.531 17.058 1.00 17.74 N ATOM 143 CA SER A 17 1.975 12.020 18.177 1.00 16.69 C ATOM 144 C SER A 17 3.289 11.444 17.667 1.00 14.37 C ATOM 145 O SER A 17 3.422 11.130 16.486 1.00 17.03 O ATOM 146 CB SER A 17 1.187 10.950 18.935 1.00 19.76 C ATOM 147 OG SER A 17 -0.041 11.471 19.416 1.00 26.20 O ATOM 148 HG SER A 17 -0.532 10.761 19.902 1.00 0.00 H ATOM 149 H SER A 17 0.938 11.885 16.285 1.00 0.00 H ATOM 150 N VAL A 18 4.264 11.317 18.557 1.00 14.18 N ATOM 151 CA VAL A 18 5.539 10.735 18.182 1.00 13.05 C ATOM 152 C VAL A 18 6.072 10.017 19.399 1.00 13.95 C ATOM 153 O VAL A 18 5.843 10.452 20.528 1.00 14.84 O ATOM 154 CB VAL A 18 6.540 11.811 17.676 1.00 13.55 C ATOM 155 CG1 VAL A 18 6.958 12.757 18.801 1.00 14.97 C ATOM 156 CG2 VAL A 18 7.751 11.166 17.034 1.00 18.19 C ATOM 157 H VAL A 18 4.113 11.638 19.535 1.00 0.00 H ATOM 158 N LYS A 19 6.764 8.908 19.163 1.00 12.78 N ATOM 159 CA LYS A 19 7.315 8.090 20.230 1.00 12.64 C ATOM 160 C LYS A 19 8.815 7.957 20.020 1.00 10.39 C ATOM 161 O LYS A 19 9.268 7.413 19.010 1.00 15.19 O ATOM 162 CB LYS A 19 6.646 6.721 20.240 1.00 12.82 C ATOM 163 CG LYS A 19 6.987 5.882 21.455 1.00 12.77 C ATOM 164 CD LYS A 19 6.147 4.622 21.449 1.00 19.26 C ATOM 165 CE LYS A 19 6.358 3.776 22.681 1.00 24.96 C ATOM 166 NZ LYS A 19 5.345 2.682 22.737 1.00 27.01 N ATOM 167 HZ1 LYS A 19 4.391 3.096 22.767 1.00 0.00 H ATOM 168 HZ2 LYS A 19 5.437 2.082 21.892 1.00 0.00 H ATOM 169 HZ3 LYS A 19 5.503 2.108 23.590 1.00 0.00 H ATOM 170 H LYS A 19 6.917 8.614 18.177 1.00 0.00 H ATOM 171 N LEU A 20 9.569 8.503 20.969 1.00 11.77 N ATOM 172 CA LEU A 20 11.026 8.510 20.924 1.00 10.05 C ATOM 173 C LEU A 20 11.541 7.333 21.738 1.00 11.76 C ATOM 174 O LEU A 20 10.878 6.900 22.672 1.00 13.94 O ATOM 175 CB LEU A 20 11.573 9.810 21.515 1.00 12.69 C ATOM 176 CG LEU A 20 10.918 11.117 21.060 1.00 12.67 C ATOM 177 CD1 LEU A 20 11.652 12.300 21.674 1.00 14.56 C ATOM 178 CD2 LEU A 20 10.874 11.233 19.545 1.00 15.14 C ATOM 179 H LEU A 20 9.097 8.946 21.783 1.00 0.00 H ATOM 180 N SER A 21 12.710 6.813 21.385 1.00 11.20 N ATOM 181 CA SER A 21 13.283 5.709 22.136 1.00 10.78 C ATOM 182 C SER A 21 14.697 5.999 22.618 1.00 10.22 C ATOM 183 O SER A 21 15.412 6.839 22.087 1.00 11.78 O ATOM 184 CB SER A 21 13.242 4.419 21.316 1.00 11.36 C ATOM 185 OG SER A 21 14.120 4.485 20.216 1.00 16.37 O ATOM 186 HG SER A 21 15.045 4.623 20.541 1.00 0.00 H ATOM 187 H SER A 21 13.220 7.199 20.565 1.00 0.00 H ATOM 188 N CYS A 22 15.076 5.258 23.648 1.00 10.72 N ATOM 189 CA CYS A 22 16.357 5.393 24.305 1.00 12.27 C ATOM 190 C CYS A 22 16.811 3.980 24.642 1.00 12.37 C ATOM 191 O CYS A 22 16.316 3.367 25.591 1.00 12.53 O ATOM 192 CB CYS A 22 16.185 6.253 25.558 1.00 12.26 C ATOM 193 SG CYS A 22 17.614 6.378 26.630 1.00 13.16 S ATOM 194 H CYS A 22 14.415 4.538 24.004 1.00 0.00 H ATOM 195 N THR A 23 17.718 3.454 23.828 1.00 10.66 N ATOM 196 CA THR A 23 18.161 2.072 23.961 1.00 16.09 C ATOM 197 C THR A 23 19.468 2.039 24.727 1.00 12.98 C ATOM 198 O THR A 23 20.470 2.618 24.305 1.00 14.68 O ATOM 199 CB THR A 23 18.322 1.396 22.589 1.00 16.58 C ATOM 200 OG1 THR A 23 17.063 1.416 21.905 1.00 23.31 O ATOM 201 CG2 THR A 23 18.792 -0.058 22.746 1.00 23.51 C ATOM 202 HG1 THR A 23 16.390 0.926 22.441 1.00 0.00 H ATOM 203 H THR A 23 18.124 4.045 23.074 1.00 0.00 H ATOM 204 N VAL A 24 19.450 1.364 25.868 1.00 14.97 N ATOM 205 CA VAL A 24 20.594 1.364 26.757 1.00 15.28 C ATOM 206 C VAL A 24 21.417 0.100 26.565 1.00 15.34 C ATOM 207 O VAL A 24 20.871 -0.995 26.446 1.00 15.24 O ATOM 208 CB VAL A 24 20.149 1.473 28.222 1.00 13.71 C ATOM 209 CG1 VAL A 24 21.354 1.535 29.143 1.00 17.40 C ATOM 210 CG2 VAL A 24 19.276 2.703 28.418 1.00 16.09 C ATOM 211 H VAL A 24 18.600 0.825 26.129 1.00 0.00 H ATOM 212 N SER A 25 22.731 0.272 26.525 1.00 13.65 N ATOM 213 CA SER A 25 23.645 -0.859 26.438 1.00 12.64 C ATOM 214 C SER A 25 24.716 -0.714 27.506 1.00 16.26 C ATOM 215 O SER A 25 25.097 0.393 27.872 1.00 17.17 O ATOM 216 CB SER A 25 24.271 -0.939 25.042 1.00 17.66 C ATOM 217 OG SER A 25 25.097 0.182 24.783 1.00 21.07 O ATOM 218 HG SER A 25 25.825 0.216 25.453 1.00 0.00 H ATOM 219 H SER A 25 23.118 1.237 26.556 1.00 0.00 H ATOM 220 N GLY A 26 25.181 -1.844 28.033 1.00 20.01 N ATOM 221 CA GLY A 26 26.217 -1.839 29.057 1.00 21.37 C ATOM 222 C GLY A 26 25.694 -1.513 30.450 1.00 20.59 C ATOM 223 O GLY A 26 26.463 -1.222 31.370 1.00 19.13 O ATOM 224 H GLY A 26 24.795 -2.753 27.706 1.00 0.00 H ATOM 225 N PHE A 27 24.377 -1.568 30.602 1.00 17.76 N ATOM 226 CA PHE A 27 23.719 -1.250 31.867 1.00 14.77 C ATOM 227 C PHE A 27 22.368 -1.927 31.837 1.00 14.03 C ATOM 228 O PHE A 27 21.680 -1.886 30.819 1.00 17.36 O ATOM 229 CB PHE A 27 23.546 0.266 32.015 1.00 15.47 C ATOM 230 CG PHE A 27 23.073 0.703 33.378 1.00 15.82 C ATOM 231 CD1 PHE A 27 23.965 0.823 34.433 1.00 16.01 C ATOM 232 CD2 PHE A 27 21.740 1.035 33.592 1.00 16.55 C ATOM 233 CE1 PHE A 27 23.534 1.238 35.686 1.00 18.42 C ATOM 234 CE2 PHE A 27 21.300 1.449 34.837 1.00 14.66 C ATOM 235 CZ PHE A 27 22.200 1.556 35.887 1.00 15.80 C ATOM 236 H PHE A 27 23.791 -1.848 29.790 1.00 0.00 H ATOM 237 N ASN A 28 21.985 -2.562 32.937 1.00 11.32 N ATOM 238 CA ASN A 28 20.670 -3.188 33.036 1.00 12.58 C ATOM 239 C ASN A 28 19.675 -2.109 33.465 1.00 15.12 C ATOM 240 O ASN A 28 19.790 -1.600 34.578 1.00 13.77 O ATOM 241 CB ASN A 28 20.680 -4.297 34.086 1.00 14.27 C ATOM 242 CG ASN A 28 21.820 -5.281 33.899 1.00 11.46 C ATOM 243 OD1 ASN A 28 22.067 -5.763 32.792 1.00 13.47 O ATOM 244 ND2 ASN A 28 22.514 -5.598 34.989 1.00 14.84 N ATOM 245 HD22 ASN A 28 22.271 -5.167 35.904 1.00 0.00 H ATOM 246 HD21 ASN A 28 23.299 -6.277 34.926 1.00 0.00 H ATOM 247 H ASN A 28 22.636 -2.615 33.746 1.00 0.00 H ATOM 248 N ILE A 29 18.704 -1.744 32.623 1.00 13.44 N ATOM 249 CA ILE A 29 17.837 -0.611 32.980 1.00 11.11 C ATOM 250 C ILE A 29 16.952 -0.892 34.194 1.00 10.37 C ATOM 251 O ILE A 29 16.446 0.043 34.802 1.00 9.74 O ATOM 252 CB ILE A 29 16.992 -0.051 31.798 1.00 13.65 C ATOM 253 CG1 ILE A 29 15.875 -1.015 31.374 1.00 10.96 C ATOM 254 CG2 ILE A 29 17.902 0.310 30.638 1.00 14.28 C ATOM 255 CD1 ILE A 29 14.867 -0.395 30.407 1.00 11.74 C ATOM 256 H ILE A 29 18.563 -2.254 31.728 1.00 0.00 H ATOM 257 N LYS A 30 16.778 -2.159 34.561 1.00 10.95 N ATOM 258 CA LYS A 30 16.095 -2.474 35.802 1.00 11.56 C ATOM 259 C LYS A 30 16.833 -1.881 37.004 1.00 11.01 C ATOM 260 O LYS A 30 16.257 -1.742 38.082 1.00 13.70 O ATOM 261 CB LYS A 30 15.967 -3.986 35.973 1.00 16.01 C ATOM 262 CG LYS A 30 17.290 -4.700 36.182 1.00 18.08 C ATOM 263 H LYS A 30 17.133 -2.927 33.956 1.00 0.00 H ATOM 264 N ASP A 31 18.105 -1.534 36.818 1.00 10.03 N ATOM 265 CA ASP A 31 18.941 -1.079 37.930 1.00 10.31 C ATOM 266 C ASP A 31 18.795 0.401 38.302 1.00 10.80 C ATOM 267 O ASP A 31 19.389 0.837 39.286 1.00 11.09 O ATOM 268 CB ASP A 31 20.429 -1.364 37.648 1.00 11.73 C ATOM 269 CG ASP A 31 20.771 -2.848 37.652 1.00 13.69 C ATOM 270 OD1 ASP A 31 19.963 -3.678 38.121 1.00 14.05 O ATOM 271 OD2 ASP A 31 21.879 -3.188 37.176 1.00 19.91 O ATOM 272 H ASP A 31 18.513 -1.587 35.863 1.00 0.00 H ATOM 273 N ASP A 32 18.046 1.190 37.533 1.00 8.45 N ATOM 274 CA ASP A 32 17.926 2.620 37.835 1.00 8.01 C ATOM 275 C ASP A 32 16.778 3.266 37.088 1.00 8.34 C ATOM 276 O ASP A 32 16.327 2.755 36.063 1.00 9.35 O ATOM 277 CB ASP A 32 19.230 3.343 37.464 1.00 8.09 C ATOM 278 CG ASP A 32 19.388 4.705 38.150 1.00 9.03 C ATOM 279 OD1 ASP A 32 18.589 5.075 39.041 1.00 9.35 O ATOM 280 OD2 ASP A 32 20.368 5.403 37.814 1.00 8.78 O ATOM 281 H ASP A 32 17.544 0.790 36.715 1.00 0.00 H ATOM 282 N PHE A 33 16.313 4.398 37.603 1.00 7.94 N ATOM 283 CA PHE A 33 15.394 5.231 36.862 1.00 8.16 C ATOM 284 C PHE A 33 16.009 5.635 35.536 1.00 8.67 C ATOM 285 O PHE A 33 17.228 5.812 35.436 1.00 9.39 O ATOM 286 CB PHE A 33 15.109 6.528 37.618 1.00 8.94 C ATOM 287 CG PHE A 33 14.490 6.334 38.962 1.00 8.60 C ATOM 288 CD1 PHE A 33 13.145 6.035 39.081 1.00 10.11 C ATOM 289 CD2 PHE A 33 15.243 6.482 40.112 1.00 9.97 C ATOM 290 CE1 PHE A 33 12.568 5.866 40.312 1.00 10.71 C ATOM 291 CE2 PHE A 33 14.671 6.317 41.359 1.00 14.36 C ATOM 292 CZ PHE A 33 13.325 6.001 41.459 1.00 15.14 C ATOM 293 H PHE A 33 16.615 4.690 38.555 1.00 0.00 H ATOM 294 N ILE A 34 15.158 5.847 34.539 1.00 8.96 N ATOM 295 CA ILE A 34 15.520 6.612 33.360 1.00 8.88 C ATOM 296 C ILE A 34 14.786 7.947 33.420 1.00 8.03 C ATOM 297 O ILE A 34 13.591 7.992 33.706 1.00 9.22 O ATOM 298 CB ILE A 34 15.200 5.839 32.082 1.00 9.44 C ATOM 299 CG1 ILE A 34 16.091 4.594 32.035 1.00 11.61 C ATOM 300 CG2 ILE A 34 15.416 6.718 30.839 1.00 11.97 C ATOM 301 CD1 ILE A 34 15.782 3.636 30.943 1.00 17.86 C ATOM 302 H ILE A 34 14.199 5.451 34.605 1.00 0.00 H ATOM 303 N HIS A 35 15.525 9.023 33.163 1.00 7.01 N ATOM 304 CA HIS A 35 15.000 10.377 33.177 1.00 7.89 C ATOM 305 C HIS A 35 14.900 10.921 31.773 1.00 6.85 C ATOM 306 O HIS A 35 15.734 10.610 30.923 1.00 8.65 O ATOM 307 CB HIS A 35 15.925 11.296 33.973 1.00 9.25 C ATOM 308 CG HIS A 35 16.144 10.849 35.375 1.00 6.88 C ATOM 309 ND1 HIS A 35 15.502 11.417 36.454 1.00 7.76 N ATOM 310 CD2 HIS A 35 16.940 9.877 35.873 1.00 7.76 C ATOM 311 CE1 HIS A 35 15.897 10.809 37.558 1.00 8.62 C ATOM 312 NE2 HIS A 35 16.770 9.872 37.235 1.00 8.11 N ATOM 313 H HIS A 35 16.532 8.887 32.940 1.00 0.00 H ATOM 314 N TRP A 36 13.900 11.763 31.543 1.00 7.62 N ATOM 315 CA TRP A 36 13.757 12.436 30.266 1.00 7.83 C ATOM 316 C TRP A 36 13.814 13.945 30.478 1.00 8.18 C ATOM 317 O TRP A 36 13.226 14.457 31.433 1.00 8.56 O ATOM 318 CB TRP A 36 12.451 12.041 29.594 1.00 8.58 C ATOM 319 CG TRP A 36 12.464 10.650 29.069 1.00 8.58 C ATOM 320 CD1 TRP A 36 12.069 9.528 29.727 1.00 9.54 C ATOM 321 CD2 TRP A 36 12.894 10.230 27.772 1.00 8.44 C ATOM 322 NE1 TRP A 36 12.223 8.429 28.917 1.00 10.57 N ATOM 323 CE2 TRP A 36 12.723 8.833 27.710 1.00 9.44 C ATOM 324 CE3 TRP A 36 13.394 10.900 26.650 1.00 10.31 C ATOM 325 CZ2 TRP A 36 13.032 8.097 26.571 1.00 9.86 C ATOM 326 CZ3 TRP A 36 13.700 10.162 25.520 1.00 11.55 C ATOM 327 CH2 TRP A 36 13.518 8.777 25.491 1.00 10.57 C ATOM 328 HE1 TRP A 36 11.996 7.449 29.179 1.00 0.00 H ATOM 329 H TRP A 36 13.204 11.944 32.294 1.00 0.00 H ATOM 330 N MET A 37 14.535 14.636 29.594 1.00 8.93 N ATOM 331 CA MET A 37 14.689 16.087 29.639 1.00 8.59 C ATOM 332 C MET A 37 14.343 16.680 28.286 1.00 8.59 C ATOM 333 O MET A 37 14.489 16.020 27.254 1.00 10.03 O ATOM 334 CB MET A 37 16.130 16.484 29.979 1.00 8.99 C ATOM 335 CG MET A 37 16.497 16.415 31.459 1.00 14.85 C ATOM 336 SD MET A 37 16.574 14.757 32.144 1.00 16.68 S ATOM 337 CE MET A 37 17.763 13.960 31.064 1.00 14.33 C ATOM 338 H MET A 37 15.013 14.113 28.832 1.00 0.00 H ATOM 339 N LYS A 38 13.887 17.928 28.306 1.00 8.57 N ATOM 340 CA LYS A 38 13.584 18.696 27.109 1.00 9.37 C ATOM 341 C LYS A 38 14.481 19.921 27.094 1.00 8.27 C ATOM 342 O LYS A 38 14.719 20.521 28.138 1.00 10.91 O ATOM 343 CB LYS A 38 12.127 19.139 27.154 1.00 10.01 C ATOM 344 CG LYS A 38 11.640 19.919 25.961 1.00 9.56 C ATOM 345 CD LYS A 38 10.202 20.364 26.199 1.00 12.01 C ATOM 346 CE LYS A 38 9.674 21.188 25.055 1.00 11.35 C ATOM 347 NZ LYS A 38 8.259 21.618 25.289 1.00 14.46 N ATOM 348 HZ1 LYS A 38 7.655 20.778 25.394 1.00 0.00 H ATOM 349 HZ2 LYS A 38 8.211 22.191 26.156 1.00 0.00 H ATOM 350 HZ3 LYS A 38 7.931 22.183 24.480 1.00 0.00 H ATOM 351 H LYS A 38 13.738 18.381 29.230 1.00 0.00 H ATOM 352 N GLN A 39 14.969 20.295 25.918 1.00 9.54 N ATOM 353 CA GLN A 39 15.770 21.505 25.789 1.00 9.02 C ATOM 354 C GLN A 39 15.357 22.328 24.579 1.00 10.72 C ATOM 355 O GLN A 39 15.308 21.815 23.462 1.00 12.16 O ATOM 356 CB GLN A 39 17.262 21.173 25.698 1.00 10.94 C ATOM 357 CG GLN A 39 18.148 22.413 25.711 1.00 12.27 C ATOM 358 CD GLN A 39 19.624 22.109 25.873 1.00 13.56 C ATOM 359 OE1 GLN A 39 20.103 21.051 25.481 1.00 12.12 O ATOM 360 NE2 GLN A 39 20.355 23.047 26.461 1.00 13.15 N ATOM 361 HE22 GLN A 39 19.909 23.931 26.779 1.00 0.00 H ATOM 362 HE21 GLN A 39 21.374 22.898 26.604 1.00 0.00 H ATOM 363 H GLN A 39 14.777 19.716 25.076 1.00 0.00 H ATOM 364 N ARG A 40 15.066 23.604 24.827 1.00 12.72 N ATOM 365 CA ARG A 40 14.816 24.591 23.793 1.00 12.49 C ATOM 366 C ARG A 40 15.819 25.720 24.011 1.00 16.16 C ATOM 367 O ARG A 40 16.210 25.987 25.148 1.00 16.92 O ATOM 368 CB ARG A 40 13.390 25.125 23.903 1.00 15.46 C ATOM 369 CG ARG A 40 12.325 24.097 23.580 1.00 14.45 C ATOM 370 CD ARG A 40 10.934 24.642 23.857 1.00 15.38 C ATOM 371 NE ARG A 40 10.700 24.800 25.290 1.00 18.45 N ATOM 372 CZ ARG A 40 9.698 25.498 25.819 1.00 25.30 C ATOM 373 NH1 ARG A 40 8.827 26.120 25.037 1.00 22.81 N ATOM 374 NH2 ARG A 40 9.570 25.580 27.137 1.00 28.32 N ATOM 375 HE ARG A 40 11.363 24.335 25.943 1.00 0.00 H ATOM 376 HH12 ARG A 40 8.046 26.664 25.457 1.00 0.00 H ATOM 377 HH11 ARG A 40 8.924 26.064 24.003 1.00 0.00 H ATOM 378 HH22 ARG A 40 8.787 26.125 27.550 1.00 0.00 H ATOM 379 HH21 ARG A 40 10.253 25.099 27.757 1.00 0.00 H ATOM 380 H ARG A 40 15.015 23.911 25.819 1.00 0.00 H ATOM 381 N PRO A 41 16.256 26.384 22.932 1.00 15.42 N ATOM 382 CA PRO A 41 17.303 27.401 23.113 1.00 16.15 C ATOM 383 C PRO A 41 16.866 28.591 23.972 1.00 22.22 C ATOM 384 O PRO A 41 17.696 29.160 24.682 1.00 26.11 O ATOM 385 CB PRO A 41 17.619 27.839 21.680 1.00 23.98 C ATOM 386 CG PRO A 41 16.406 27.482 20.888 1.00 25.15 C ATOM 387 CD PRO A 41 15.841 26.255 21.526 1.00 19.10 C ATOM 388 N GLU A 42 15.589 28.953 23.922 1.00 17.39 N ATOM 389 CA GLU A 42 15.094 30.084 24.700 1.00 24.20 C ATOM 390 C GLU A 42 14.775 29.683 26.140 1.00 26.05 C ATOM 391 O GLU A 42 15.289 30.282 27.088 1.00 26.32 O ATOM 392 CB GLU A 42 13.849 30.680 24.037 1.00 26.19 C ATOM 393 CG GLU A 42 13.271 31.880 24.771 1.00 36.16 C ATOM 394 H GLU A 42 14.930 28.421 23.318 1.00 0.00 H ATOM 395 N GLN A 43 13.931 28.666 26.294 1.00 23.77 N ATOM 396 CA GLN A 43 13.422 28.267 27.607 1.00 21.00 C ATOM 397 C GLN A 43 14.368 27.338 28.370 1.00 19.25 C ATOM 398 O GLN A 43 14.177 27.094 29.563 1.00 24.33 O ATOM 399 CB GLN A 43 12.055 27.597 27.462 1.00 25.78 C ATOM 400 CG GLN A 43 10.950 28.525 26.950 1.00 31.20 C ATOM 401 CD GLN A 43 11.042 28.807 25.459 1.00 39.52 C ATOM 402 OE1 GLN A 43 11.695 28.078 24.712 1.00 36.57 O ATOM 403 NE2 GLN A 43 10.382 29.873 25.020 1.00 42.05 N ATOM 404 HE22 GLN A 43 9.843 30.462 25.687 1.00 0.00 H ATOM 405 HE21 GLN A 43 10.405 30.119 24.010 1.00 0.00 H ATOM 406 H GLN A 43 13.623 28.137 25.453 1.00 0.00 H ATOM 407 N GLY A 44 15.383 26.819 27.688 1.00 15.58 N ATOM 408 CA GLY A 44 16.412 26.036 28.341 1.00 13.32 C ATOM 409 C GLY A 44 16.026 24.602 28.638 1.00 12.51 C ATOM 410 O GLY A 44 15.178 24.015 27.961 1.00 12.86 O ATOM 411 H GLY A 44 15.440 26.978 26.662 1.00 0.00 H ATOM 412 N LEU A 45 16.655 24.042 29.667 1.00 12.19 N ATOM 413 CA LEU A 45 16.503 22.638 30.023 1.00 10.85 C ATOM 414 C LEU A 45 15.379 22.439 31.023 1.00 9.87 C ATOM 415 O LEU A 45 15.269 23.184 31.997 1.00 11.27 O ATOM 416 CB LEU A 45 17.813 22.112 30.608 1.00 10.78 C ATOM 417 CG LEU A 45 18.859 21.682 29.582 1.00 10.28 C ATOM 418 CD1 LEU A 45 20.263 21.717 30.183 1.00 10.98 C ATOM 419 CD2 LEU A 45 18.542 20.287 29.055 1.00 12.62 C ATOM 420 H LEU A 45 17.285 24.634 30.245 1.00 0.00 H ATOM 421 N GLU A 46 14.554 21.427 30.774 1.00 9.41 N ATOM 422 CA GLU A 46 13.447 21.076 31.654 1.00 11.42 C ATOM 423 C GLU A 46 13.434 19.573 31.859 1.00 10.65 C ATOM 424 O GLU A 46 13.673 18.811 30.927 1.00 12.81 O ATOM 425 CB GLU A 46 12.113 21.494 31.044 1.00 10.43 C ATOM 426 CG GLU A 46 11.903 22.986 30.919 1.00 12.88 C ATOM 427 CD GLU A 46 10.602 23.318 30.227 1.00 16.29 C ATOM 428 OE1 GLU A 46 10.479 23.012 29.022 1.00 17.15 O ATOM 429 OE2 GLU A 46 9.703 23.882 30.886 1.00 19.50 O ATOM 430 H GLU A 46 14.705 20.862 29.914 1.00 0.00 H ATOM 431 N TRP A 47 13.155 19.158 33.087 1.00 8.69 N ATOM 432 CA TRP A 47 12.997 17.746 33.420 1.00 9.12 C ATOM 433 C TRP A 47 11.538 17.345 33.216 1.00 9.67 C ATOM 434 O TRP A 47 10.624 17.957 33.777 1.00 9.59 O ATOM 435 CB TRP A 47 13.416 17.540 34.867 1.00 9.19 C ATOM 436 CG TRP A 47 13.341 16.143 35.411 1.00 7.88 C ATOM 437 CD1 TRP A 47 14.247 15.143 35.222 1.00 9.42 C ATOM 438 CD2 TRP A 47 12.333 15.613 36.280 1.00 8.11 C ATOM 439 NE1 TRP A 47 13.863 14.021 35.914 1.00 8.89 N ATOM 440 CE2 TRP A 47 12.698 14.288 36.579 1.00 8.25 C ATOM 441 CE3 TRP A 47 11.166 16.135 36.842 1.00 8.97 C ATOM 442 CZ2 TRP A 47 11.923 13.475 37.403 1.00 9.68 C ATOM 443 CZ3 TRP A 47 10.399 15.329 37.657 1.00 9.41 C ATOM 444 CH2 TRP A 47 10.785 14.017 37.938 1.00 9.38 C ATOM 445 HE1 TRP A 47 14.375 13.116 35.930 1.00 0.00 H ATOM 446 H TRP A 47 13.045 19.865 33.841 1.00 0.00 H ATOM 447 N ILE A 48 11.332 16.331 32.386 1.00 9.03 N ATOM 448 CA ILE A 48 10.000 15.836 32.066 1.00 10.04 C ATOM 449 C ILE A 48 9.512 14.867 33.136 1.00 8.54 C ATOM 450 O ILE A 48 8.353 14.923 33.569 1.00 9.65 O ATOM 451 CB ILE A 48 9.997 15.144 30.693 1.00 9.61 C ATOM 452 CG1 ILE A 48 10.246 16.176 29.596 1.00 10.59 C ATOM 453 CG2 ILE A 48 8.678 14.409 30.442 1.00 10.50 C ATOM 454 CD1 ILE A 48 10.537 15.567 28.228 1.00 12.85 C ATOM 455 H ILE A 48 12.154 15.871 31.946 1.00 0.00 H ATOM 456 N GLY A 49 10.393 13.967 33.559 1.00 8.56 N ATOM 457 CA GLY A 49 10.024 12.987 34.562 1.00 9.28 C ATOM 458 C GLY A 49 11.007 11.840 34.635 1.00 7.58 C ATOM 459 O GLY A 49 12.022 11.852 33.946 1.00 8.24 O ATOM 460 H GLY A 49 11.356 13.965 33.167 1.00 0.00 H ATOM 461 N ARG A 50 10.704 10.864 35.485 1.00 8.33 N ATOM 462 CA ARG A 50 11.521 9.667 35.598 1.00 7.51 C ATOM 463 C ARG A 50 10.613 8.448 35.620 1.00 10.53 C ATOM 464 O ARG A 50 9.486 8.502 36.121 1.00 9.83 O ATOM 465 CB ARG A 50 12.418 9.697 36.847 1.00 8.41 C ATOM 466 CG ARG A 50 11.682 9.655 38.165 1.00 10.33 C ATOM 467 CD ARG A 50 12.617 9.701 39.380 1.00 11.57 C ATOM 468 NE ARG A 50 11.808 9.867 40.578 1.00 13.91 N ATOM 469 CZ ARG A 50 11.506 11.039 41.129 1.00 12.26 C ATOM 470 NH1 ARG A 50 12.027 12.171 40.653 1.00 11.02 N ATOM 471 NH2 ARG A 50 10.713 11.075 42.190 1.00 14.82 N ATOM 472 HE ARG A 50 11.440 9.009 41.036 1.00 0.00 H ATOM 473 HH12 ARG A 50 11.783 13.081 41.093 1.00 0.00 H ATOM 474 HH11 ARG A 50 12.677 12.143 39.842 1.00 0.00 H ATOM 475 HH22 ARG A 50 10.471 11.987 42.628 1.00 0.00 H ATOM 476 HH21 ARG A 50 10.332 10.191 42.585 1.00 0.00 H ATOM 477 H ARG A 50 9.860 10.959 36.085 1.00 0.00 H ATOM 478 N ILE A 51 11.115 7.348 35.066 1.00 8.96 N ATOM 479 CA ILE A 51 10.420 6.068 35.102 1.00 7.59 C ATOM 480 C ILE A 51 11.339 5.033 35.729 1.00 9.63 C ATOM 481 O ILE A 51 12.549 5.046 35.493 1.00 9.42 O ATOM 482 CB ILE A 51 9.994 5.611 33.693 1.00 9.68 C ATOM 483 CG1 ILE A 51 9.252 4.280 33.773 1.00 8.59 C ATOM 484 CG2 ILE A 51 11.190 5.527 32.754 1.00 10.68 C ATOM 485 CD1 ILE A 51 8.477 3.903 32.517 1.00 11.68 C ATOM 486 H ILE A 51 12.038 7.404 34.589 1.00 0.00 H ATOM 487 N ASP A 52 10.765 4.148 36.534 1.00 8.54 N ATOM 488 CA ASP A 52 11.487 3.005 37.089 1.00 9.06 C ATOM 489 C ASP A 52 11.169 1.791 36.219 1.00 9.16 C ATOM 490 O ASP A 52 10.066 1.262 36.279 1.00 9.08 O ATOM 491 CB ASP A 52 11.036 2.745 38.526 1.00 8.97 C ATOM 492 CG ASP A 52 11.794 1.604 39.194 1.00 11.83 C ATOM 493 OD1 ASP A 52 12.380 0.763 38.488 1.00 13.34 O ATOM 494 OD2 ASP A 52 11.771 1.529 40.447 1.00 12.99 O ATOM 495 H ASP A 52 9.762 4.273 36.780 1.00 0.00 H ATOM 496 N PRO A 53 12.133 1.330 35.408 1.00 8.52 N ATOM 497 CA PRO A 53 11.812 0.215 34.510 1.00 8.82 C ATOM 498 C PRO A 53 11.539 -1.100 35.236 1.00 11.06 C ATOM 499 O PRO A 53 10.927 -2.009 34.662 1.00 11.00 O ATOM 500 CB PRO A 53 13.072 0.095 33.646 1.00 9.35 C ATOM 501 CG PRO A 53 13.717 1.441 33.735 1.00 9.57 C ATOM 502 CD PRO A 53 13.478 1.866 35.144 1.00 8.13 C ATOM 503 N ALA A 54 11.966 -1.209 36.487 1.00 9.63 N ATOM 504 CA ALA A 54 11.761 -2.445 37.233 1.00 10.33 C ATOM 505 C ALA A 54 10.306 -2.642 37.648 1.00 10.88 C ATOM 506 O ALA A 54 9.883 -3.771 37.861 1.00 14.82 O ATOM 507 CB ALA A 54 12.674 -2.498 38.462 1.00 12.07 C ATOM 508 H ALA A 54 12.450 -0.407 36.939 1.00 0.00 H ATOM 509 N ASN A 55 9.541 -1.559 37.772 1.00 10.54 N ATOM 510 CA ASN A 55 8.150 -1.670 38.219 1.00 11.06 C ATOM 511 C ASN A 55 7.167 -0.777 37.446 1.00 13.77 C ATOM 512 O ASN A 55 5.970 -0.793 37.729 1.00 16.68 O ATOM 513 CB ASN A 55 8.045 -1.402 39.729 1.00 11.44 C ATOM 514 CG ASN A 55 8.479 -0.007 40.110 1.00 12.19 C ATOM 515 OD1 ASN A 55 8.582 0.873 39.263 1.00 10.89 O ATOM 516 ND2 ASN A 55 8.725 0.205 41.396 1.00 14.20 N ATOM 517 HD22 ASN A 55 8.624 -0.572 42.080 1.00 0.00 H ATOM 518 HD21 ASN A 55 9.018 1.148 41.721 1.00 0.00 H ATOM 519 H ASN A 55 9.936 -0.623 37.549 1.00 0.00 H ATOM 520 N GLY A 56 7.651 -0.008 36.478 1.00 10.72 N ATOM 521 CA GLY A 56 6.769 0.826 35.679 1.00 13.00 C ATOM 522 C GLY A 56 6.344 2.124 36.342 1.00 13.05 C ATOM 523 O GLY A 56 5.564 2.886 35.757 1.00 14.81 O ATOM 524 H GLY A 56 8.674 -0.002 36.289 1.00 0.00 H ATOM 525 N TYR A 57 6.836 2.384 37.551 1.00 10.81 N ATOM 526 CA TYR A 57 6.512 3.616 38.276 1.00 12.50 C ATOM 527 C TYR A 57 6.942 4.830 37.470 1.00 12.54 C ATOM 528 O TYR A 57 8.039 4.844 36.915 1.00 11.68 O ATOM 529 CB TYR A 57 7.246 3.669 39.619 1.00 16.90 C ATOM 530 CG TYR A 57 7.155 5.013 40.310 1.00 17.76 C ATOM 531 CD1 TYR A 57 6.082 5.311 41.137 1.00 22.12 C ATOM 532 CD2 TYR A 57 8.139 5.980 40.139 1.00 19.30 C ATOM 533 CE1 TYR A 57 5.986 6.534 41.767 1.00 23.14 C ATOM 534 CE2 TYR A 57 8.049 7.210 40.767 1.00 22.28 C ATOM 535 CZ TYR A 57 6.970 7.477 41.581 1.00 21.69 C ATOM 536 OH TYR A 57 6.867 8.694 42.217 1.00 27.07 O ATOM 537 HH TYR A 57 7.650 8.823 42.809 1.00 0.00 H ATOM 538 H TYR A 57 7.471 1.691 37.996 1.00 0.00 H ATOM 539 N THR A 58 6.091 5.852 37.425 1.00 11.05 N ATOM 540 CA THR A 58 6.422 7.101 36.752 1.00 12.24 C ATOM 541 C THR A 58 6.091 8.310 37.616 1.00 11.46 C ATOM 542 O THR A 58 5.099 8.320 38.348 1.00 13.73 O ATOM 543 CB THR A 58 5.673 7.247 35.413 1.00 11.84 C ATOM 544 OG1 THR A 58 4.261 7.107 35.639 1.00 12.57 O ATOM 545 CG2 THR A 58 6.153 6.221 34.399 1.00 12.08 C ATOM 546 HG1 THR A 58 3.957 7.810 36.267 1.00 0.00 H ATOM 547 H THR A 58 5.163 5.756 37.884 1.00 0.00 H ATOM 548 N LYS A 59 6.942 9.326 37.512 1.00 11.90 N ATOM 549 CA LYS A 59 6.716 10.629 38.127 1.00 11.76 C ATOM 550 C LYS A 59 7.002 11.683 37.064 1.00 14.05 C ATOM 551 O LYS A 59 8.074 11.681 36.446 1.00 11.71 O ATOM 552 CB LYS A 59 7.643 10.835 39.326 1.00 13.00 C ATOM 553 CG LYS A 59 7.504 12.198 40.019 1.00 13.85 C ATOM 554 CD LYS A 59 6.125 12.369 40.629 1.00 13.92 C ATOM 555 CE LYS A 59 6.003 13.665 41.423 1.00 17.81 C ATOM 556 NZ LYS A 59 6.670 13.579 42.754 1.00 17.69 N ATOM 557 HZ1 LYS A 59 6.233 12.817 43.311 1.00 0.00 H ATOM 558 HZ2 LYS A 59 7.681 13.376 42.621 1.00 0.00 H ATOM 559 HZ3 LYS A 59 6.559 14.484 43.255 1.00 0.00 H ATOM 560 H LYS A 59 7.814 9.184 36.964 1.00 0.00 H ATOM 561 N TYR A 60 6.033 12.568 36.845 1.00 12.47 N ATOM 562 CA TYR A 60 6.146 13.624 35.846 1.00 12.38 C ATOM 563 C TYR A 60 6.189 14.998 36.487 1.00 10.66 C ATOM 564 O TYR A 60 5.617 15.216 37.551 1.00 13.07 O ATOM 565 CB TYR A 60 4.932 13.599 34.914 1.00 11.98 C ATOM 566 CG TYR A 60 4.771 12.340 34.109 1.00 11.22 C ATOM 567 CD1 TYR A 60 4.140 11.230 34.644 1.00 11.06 C ATOM 568 CD2 TYR A 60 5.225 12.271 32.801 1.00 11.89 C ATOM 569 CE1 TYR A 60 3.988 10.077 33.905 1.00 11.69 C ATOM 570 CE2 TYR A 60 5.071 11.125 32.053 1.00 11.92 C ATOM 571 CZ TYR A 60 4.456 10.036 32.609 1.00 10.55 C ATOM 572 OH TYR A 60 4.306 8.894 31.866 1.00 13.09 O ATOM 573 HH TYR A 60 3.846 8.206 32.409 1.00 0.00 H ATOM 574 H TYR A 60 5.161 12.504 37.408 1.00 0.00 H ATOM 575 N ALA A 61 6.851 15.939 35.829 1.00 12.33 N ATOM 576 CA ALA A 61 6.616 17.340 36.143 1.00 14.29 C ATOM 577 C ALA A 61 5.173 17.665 35.706 1.00 13.14 C ATOM 578 O ALA A 61 4.729 17.203 34.660 1.00 13.19 O ATOM 579 CB ALA A 61 7.618 18.213 35.426 1.00 15.53 C ATOM 580 H ALA A 61 7.536 15.677 35.091 1.00 0.00 H ATOM 581 N PRO A 62 4.421 18.437 36.517 1.00 21.19 N ATOM 582 CA PRO A 62 3.019 18.730 36.176 1.00 22.43 C ATOM 583 C PRO A 62 2.791 19.278 34.765 1.00 15.37 C ATOM 584 O PRO A 62 1.777 18.940 34.163 1.00 18.17 O ATOM 585 CB PRO A 62 2.618 19.773 37.219 1.00 22.37 C ATOM 586 CG PRO A 62 3.446 19.439 38.399 1.00 25.65 C ATOM 587 CD PRO A 62 4.774 18.969 37.846 1.00 27.88 C ATOM 588 N LYS A 63 3.713 20.076 34.232 1.00 15.36 N ATOM 589 CA LYS A 63 3.498 20.627 32.895 1.00 19.49 C ATOM 590 C LYS A 63 3.568 19.555 31.804 1.00 13.79 C ATOM 591 O LYS A 63 3.123 19.792 30.683 1.00 15.88 O ATOM 592 CB LYS A 63 4.458 21.786 32.589 1.00 21.65 C ATOM 593 CG LYS A 63 5.846 21.380 32.133 1.00 27.22 C ATOM 594 CD LYS A 63 6.750 22.603 31.946 1.00 31.71 C ATOM 595 CE LYS A 63 6.290 23.490 30.793 1.00 34.98 C ATOM 596 NZ LYS A 63 7.197 24.657 30.579 1.00 33.49 N ATOM 597 HZ1 LYS A 63 7.223 25.237 31.442 1.00 0.00 H ATOM 598 HZ2 LYS A 63 8.155 24.315 30.361 1.00 0.00 H ATOM 599 HZ3 LYS A 63 6.843 25.229 29.786 1.00 0.00 H ATOM 600 H LYS A 63 4.578 20.305 34.761 1.00 0.00 H ATOM 601 N PHE A 64 4.097 18.376 32.137 1.00 13.64 N ATOM 602 CA PHE A 64 4.193 17.280 31.168 1.00 14.02 C ATOM 603 C PHE A 64 3.201 16.140 31.404 1.00 14.48 C ATOM 604 O PHE A 64 3.172 15.173 30.647 1.00 15.69 O ATOM 605 CB PHE A 64 5.629 16.756 31.113 1.00 14.22 C ATOM 606 CG PHE A 64 6.587 17.757 30.556 1.00 11.80 C ATOM 607 CD1 PHE A 64 6.622 18.002 29.194 1.00 13.84 C ATOM 608 CD2 PHE A 64 7.417 18.483 31.386 1.00 10.77 C ATOM 609 CE1 PHE A 64 7.479 18.942 28.667 1.00 17.13 C ATOM 610 CE2 PHE A 64 8.281 19.431 30.863 1.00 12.23 C ATOM 611 CZ PHE A 64 8.314 19.657 29.506 1.00 15.42 C ATOM 612 H PHE A 64 4.449 18.231 33.105 1.00 0.00 H ATOM 613 N GLN A 65 2.359 16.273 32.419 1.00 18.15 N ATOM 614 CA GLN A 65 1.462 15.179 32.792 1.00 21.90 C ATOM 615 C GLN A 65 0.463 14.749 31.711 1.00 28.14 C ATOM 616 O GLN A 65 0.090 13.579 31.654 1.00 30.28 O ATOM 617 CB GLN A 65 0.718 15.520 34.079 1.00 25.03 C ATOM 618 CG GLN A 65 1.534 15.252 35.328 1.00 18.73 C ATOM 619 CD GLN A 65 0.675 15.229 36.581 1.00 28.05 C ATOM 620 OE1 GLN A 65 0.187 16.263 37.032 1.00 18.25 O ATOM 621 NE2 GLN A 65 0.483 14.042 37.144 1.00 33.74 N ATOM 622 HE22 GLN A 65 0.916 13.193 36.728 1.00 0.00 H ATOM 623 HE21 GLN A 65 -0.100 13.961 38.001 1.00 0.00 H ATOM 624 H GLN A 65 2.336 17.164 32.955 1.00 0.00 H ATOM 625 N ASP A 66 0.027 15.679 30.865 1.00 23.48 N ATOM 626 CA ASP A 66 -0.955 15.351 29.822 1.00 30.29 C ATOM 627 C ASP A 66 -0.353 15.433 28.419 1.00 31.26 C ATOM 628 O ASP A 66 -1.076 15.427 27.420 1.00 37.17 O ATOM 629 CB ASP A 66 -2.178 16.269 29.924 1.00 43.75 C ATOM 630 CG ASP A 66 -1.836 17.729 29.696 1.00 45.92 C ATOM 631 OD1 ASP A 66 -0.639 18.083 29.740 1.00 48.17 O ATOM 632 OD2 ASP A 66 -2.773 18.526 29.481 1.00 47.42 O ATOM 633 H ASP A 66 0.386 16.652 30.943 1.00 0.00 H ATOM 634 N LYS A 67 0.971 15.506 28.359 1.00 19.22 N ATOM 635 CA LYS A 67 1.701 15.639 27.103 1.00 21.35 C ATOM 636 C LYS A 67 2.592 14.432 26.869 1.00 19.78 C ATOM 637 O LYS A 67 2.726 13.953 25.741 1.00 22.23 O ATOM 638 CB LYS A 67 2.569 16.901 27.138 1.00 27.73 C ATOM 639 CG LYS A 67 3.586 17.021 25.997 1.00 30.70 C ATOM 640 CD LYS A 67 2.924 17.082 24.627 1.00 27.65 C ATOM 641 CE LYS A 67 2.063 18.330 24.480 1.00 24.23 C ATOM 642 NZ LYS A 67 1.498 18.471 23.116 1.00 28.85 N ATOM 643 HZ1 LYS A 67 2.273 18.532 22.426 1.00 0.00 H ATOM 644 HZ2 LYS A 67 0.905 17.644 22.901 1.00 0.00 H ATOM 645 HZ3 LYS A 67 0.921 19.335 23.069 1.00 0.00 H ATOM 646 H LYS A 67 1.512 15.467 29.246 1.00 0.00 H ATOM 647 N ALA A 68 3.211 13.950 27.940 1.00 14.72 N ATOM 648 CA ALA A 68 4.217 12.912 27.831 1.00 15.47 C ATOM 649 C ALA A 68 3.745 11.647 28.511 1.00 12.43 C ATOM 650 O ALA A 68 3.103 11.701 29.557 1.00 14.41 O ATOM 651 CB ALA A 68 5.522 13.381 28.450 1.00 18.15 C ATOM 652 H ALA A 68 2.969 14.326 28.879 1.00 0.00 H ATOM 653 N THR A 69 4.077 10.515 27.902 1.00 11.67 N ATOM 654 CA THR A 69 3.919 9.214 28.530 1.00 10.79 C ATOM 655 C THR A 69 5.245 8.470 28.432 1.00 12.10 C ATOM 656 O THR A 69 5.737 8.195 27.332 1.00 12.70 O ATOM 657 CB THR A 69 2.810 8.367 27.862 1.00 14.34 C ATOM 658 OG1 THR A 69 1.604 9.132 27.773 1.00 15.95 O ATOM 659 CG2 THR A 69 2.545 7.109 28.669 1.00 16.62 C ATOM 660 HG1 THR A 69 1.769 9.944 27.230 1.00 0.00 H ATOM 661 H THR A 69 4.465 10.561 26.938 1.00 0.00 H ATOM 662 N MET A 70 5.824 8.151 29.587 1.00 11.05 N ATOM 663 CA MET A 70 7.051 7.369 29.650 1.00 11.27 C ATOM 664 C MET A 70 6.701 5.906 29.824 1.00 11.14 C ATOM 665 O MET A 70 5.868 5.571 30.661 1.00 12.20 O ATOM 666 CB MET A 70 7.903 7.822 30.839 1.00 11.88 C ATOM 667 CG MET A 70 8.411 9.247 30.746 1.00 10.37 C ATOM 668 SD MET A 70 9.320 9.756 32.219 1.00 11.52 S ATOM 669 CE MET A 70 8.024 9.786 33.460 1.00 12.00 C ATOM 670 H MET A 70 5.386 8.471 30.474 1.00 0.00 H ATOM 671 N THR A 71 7.347 5.042 29.044 1.00 11.14 N ATOM 672 CA THR A 71 7.254 3.602 29.230 1.00 12.22 C ATOM 673 C THR A 71 8.653 3.013 29.113 1.00 12.82 C ATOM 674 O THR A 71 9.584 3.692 28.693 1.00 11.01 O ATOM 675 CB THR A 71 6.343 2.933 28.189 1.00 13.27 C ATOM 676 OG1 THR A 71 6.773 3.297 26.870 1.00 13.51 O ATOM 677 CG2 THR A 71 4.903 3.359 28.393 1.00 14.38 C ATOM 678 HG1 THR A 71 6.724 4.280 26.768 1.00 0.00 H ATOM 679 H THR A 71 7.940 5.410 28.273 1.00 0.00 H ATOM 680 N ALA A 72 8.806 1.758 29.511 1.00 13.26 N ATOM 681 CA ALA A 72 10.086 1.086 29.372 1.00 11.78 C ATOM 682 C ALA A 72 9.881 -0.410 29.231 1.00 17.77 C ATOM 683 O ALA A 72 8.842 -0.950 29.619 1.00 20.17 O ATOM 684 CB ALA A 72 10.982 1.400 30.561 1.00 15.18 C ATOM 685 H ALA A 72 8.000 1.249 29.927 1.00 0.00 H ATOM 686 N ASP A 73 10.878 -1.063 28.645 1.00 15.31 N ATOM 687 CA ASP A 73 10.861 -2.503 28.450 1.00 17.89 C ATOM 688 C ASP A 73 12.210 -3.065 28.863 1.00 16.49 C ATOM 689 O ASP A 73 13.222 -2.835 28.203 1.00 16.05 O ATOM 690 CB ASP A 73 10.580 -2.838 26.984 1.00 28.38 C ATOM 691 CG ASP A 73 9.189 -2.424 26.543 1.00 46.34 C ATOM 692 OD1 ASP A 73 8.251 -2.504 27.365 1.00 52.77 O ATOM 693 OD2 ASP A 73 9.031 -2.022 25.371 1.00 53.18 O ATOM 694 H ASP A 73 11.703 -0.523 28.313 1.00 0.00 H ATOM 695 N THR A 74 12.239 -3.783 29.978 1.00 16.66 N ATOM 696 CA THR A 74 13.475 -4.401 30.414 1.00 18.84 C ATOM 697 C THR A 74 13.867 -5.514 29.436 1.00 19.07 C ATOM 698 O THR A 74 15.041 -5.806 29.276 1.00 26.18 O ATOM 699 CB THR A 74 13.360 -4.973 31.839 1.00 20.65 C ATOM 700 OG1 THR A 74 12.251 -5.877 31.909 1.00 22.47 O ATOM 701 CG2 THR A 74 13.170 -3.848 32.852 1.00 18.79 C ATOM 702 HG1 THR A 74 11.418 -5.394 31.681 1.00 0.00 H ATOM 703 H THR A 74 11.373 -3.903 30.541 1.00 0.00 H ATOM 704 N SER A 75 12.877 -6.099 28.765 1.00 20.99 N ATOM 705 CA SER A 75 13.133 -7.174 27.804 1.00 24.75 C ATOM 706 C SER A 75 13.991 -6.697 26.632 1.00 26.96 C ATOM 707 O SER A 75 14.642 -7.505 25.973 1.00 27.92 O ATOM 708 CB SER A 75 11.821 -7.758 27.277 1.00 30.39 C ATOM 709 OG SER A 75 11.094 -6.798 26.530 1.00 35.35 O ATOM 710 HG SER A 75 10.252 -7.204 26.203 1.00 0.00 H ATOM 711 H SER A 75 11.899 -5.785 28.927 1.00 0.00 H ATOM 712 N SER A 76 13.991 -5.389 26.378 1.00 20.26 N ATOM 713 CA SER A 76 14.781 -4.812 25.289 1.00 18.28 C ATOM 714 C SER A 76 15.718 -3.709 25.768 1.00 17.95 C ATOM 715 O SER A 76 16.389 -3.066 24.961 1.00 16.63 O ATOM 716 CB SER A 76 13.858 -4.240 24.216 1.00 19.52 C ATOM 717 OG SER A 76 13.111 -3.150 24.727 1.00 17.96 O ATOM 718 HG SER A 76 12.520 -2.794 24.017 1.00 0.00 H ATOM 719 H SER A 76 13.413 -4.760 26.971 1.00 0.00 H ATOM 720 N ASN A 77 15.759 -3.485 27.078 1.00 15.74 N ATOM 721 CA ASN A 77 16.603 -2.441 27.652 1.00 14.82 C ATOM 722 C ASN A 77 16.346 -1.075 27.007 1.00 12.60 C ATOM 723 O ASN A 77 17.266 -0.282 26.797 1.00 12.99 O ATOM 724 CB ASN A 77 18.079 -2.838 27.523 1.00 20.01 C ATOM 725 CG ASN A 77 18.818 -2.797 28.845 1.00 21.75 C ATOM 726 OD1 ASN A 77 18.264 -3.126 29.899 1.00 16.00 O ATOM 727 ND2 ASN A 77 20.083 -2.393 28.797 1.00 30.01 N ATOM 728 HD22 ASN A 77 20.509 -2.125 27.887 1.00 0.00 H ATOM 729 HD21 ASN A 77 20.647 -2.345 29.670 1.00 0.00 H ATOM 730 H ASN A 77 15.175 -4.069 27.710 1.00 0.00 H ATOM 731 N THR A 78 15.079 -0.802 26.720 1.00 12.97 N ATOM 732 CA THR A 78 14.695 0.417 26.013 1.00 11.53 C ATOM 733 C THR A 78 13.640 1.200 26.782 1.00 11.33 C ATOM 734 O THR A 78 12.694 0.625 27.312 1.00 13.69 O ATOM 735 CB THR A 78 14.153 0.082 24.612 1.00 13.07 C ATOM 736 OG1 THR A 78 15.143 -0.647 23.890 1.00 16.38 O ATOM 737 CG2 THR A 78 13.818 1.347 23.831 1.00 13.79 C ATOM 738 HG1 THR A 78 14.798 -0.865 22.988 1.00 0.00 H ATOM 739 H THR A 78 14.339 -1.475 27.006 1.00 0.00 H ATOM 740 N ALA A 79 13.830 2.515 26.842 1.00 11.91 N ATOM 741 CA ALA A 79 12.834 3.434 27.380 1.00 10.54 C ATOM 742 C ALA A 79 12.245 4.266 26.251 1.00 11.22 C ATOM 743 O ALA A 79 12.941 4.597 25.289 1.00 10.77 O ATOM 744 CB ALA A 79 13.465 4.337 28.421 1.00 10.75 C ATOM 745 H ALA A 79 14.728 2.905 26.490 1.00 0.00 H ATOM 746 N TYR A 80 10.967 4.597 26.383 1.00 11.26 N ATOM 747 CA TYR A 80 10.255 5.360 25.368 1.00 12.04 C ATOM 748 C TYR A 80 9.613 6.595 25.952 1.00 11.93 C ATOM 749 O TYR A 80 9.180 6.609 27.109 1.00 11.85 O ATOM 750 CB TYR A 80 9.154 4.521 24.729 1.00 11.52 C ATOM 751 CG TYR A 80 9.635 3.251 24.079 1.00 12.85 C ATOM 752 CD1 TYR A 80 10.042 3.240 22.755 1.00 15.84 C ATOM 753 CD2 TYR A 80 9.670 2.059 24.789 1.00 14.43 C ATOM 754 CE1 TYR A 80 10.481 2.074 22.154 1.00 16.34 C ATOM 755 CE2 TYR A 80 10.103 0.885 24.197 1.00 17.05 C ATOM 756 CZ TYR A 80 10.508 0.901 22.881 1.00 17.02 C ATOM 757 OH TYR A 80 10.940 -0.261 22.283 1.00 19.06 O ATOM 758 HH TYR A 80 10.212 -0.932 22.303 1.00 0.00 H ATOM 759 H TYR A 80 10.457 4.302 27.240 1.00 0.00 H ATOM 760 N LEU A 81 9.543 7.627 25.121 1.00 11.16 N ATOM 761 CA LEU A 81 8.832 8.849 25.449 1.00 10.42 C ATOM 762 C LEU A 81 7.835 9.143 24.342 1.00 10.65 C ATOM 763 O LEU A 81 8.220 9.467 23.208 1.00 12.99 O ATOM 764 CB LEU A 81 9.799 10.020 25.593 1.00 10.47 C ATOM 765 CG LEU A 81 9.149 11.351 25.989 1.00 10.26 C ATOM 766 CD1 LEU A 81 8.627 11.267 27.409 1.00 14.43 C ATOM 767 CD2 LEU A 81 10.125 12.494 25.854 1.00 11.20 C ATOM 768 H LEU A 81 10.017 7.557 24.198 1.00 0.00 H ATOM 769 N GLN A 82 6.555 9.015 24.668 1.00 11.53 N ATOM 770 CA GLN A 82 5.505 9.334 23.712 1.00 12.31 C ATOM 771 C GLN A 82 5.001 10.739 23.970 1.00 13.88 C ATOM 772 O GLN A 82 4.621 11.067 25.091 1.00 16.12 O ATOM 773 CB GLN A 82 4.354 8.338 23.799 1.00 14.17 C ATOM 774 CG GLN A 82 3.242 8.649 22.798 1.00 24.10 C ATOM 775 CD GLN A 82 2.446 7.430 22.385 1.00 49.02 C ATOM 776 OE1 GLN A 82 2.548 6.366 22.996 1.00 58.15 O ATOM 777 NE2 GLN A 82 1.645 7.580 21.335 1.00 57.93 N ATOM 778 HE22 GLN A 82 1.591 8.498 20.849 1.00 0.00 H ATOM 779 HE21 GLN A 82 1.072 6.779 20.999 1.00 0.00 H ATOM 780 H GLN A 82 6.299 8.682 25.619 1.00 0.00 H ATOM 781 N LEU A 83 5.025 11.564 22.929 1.00 12.33 N ATOM 782 CA LEU A 83 4.531 12.930 22.996 1.00 15.04 C ATOM 783 C LEU A 83 3.247 12.980 22.186 1.00 14.30 C ATOM 784 O LEU A 83 3.209 12.501 21.050 1.00 18.97 O ATOM 785 CB LEU A 83 5.563 13.896 22.414 1.00 13.56 C ATOM 786 CG LEU A 83 6.931 13.888 23.099 1.00 14.58 C ATOM 787 CD1 LEU A 83 7.939 14.711 22.308 1.00 16.63 C ATOM 788 CD2 LEU A 83 6.825 14.400 24.530 1.00 14.37 C ATOM 789 H LEU A 83 5.413 11.218 22.028 1.00 0.00 H ATOM 790 N SER A 84 2.189 13.531 22.772 1.00 15.90 N ATOM 791 CA SER A 84 0.874 13.505 22.138 1.00 17.59 C ATOM 792 C SER A 84 0.397 14.902 21.785 1.00 16.76 C ATOM 793 O SER A 84 0.823 15.883 22.391 1.00 18.47 O ATOM 794 CB SER A 84 -0.152 12.831 23.052 1.00 22.27 C ATOM 795 OG SER A 84 -0.279 13.529 24.276 1.00 33.11 O ATOM 796 HG SER A 84 0.596 13.544 24.738 1.00 0.00 H ATOM 797 H SER A 84 2.300 13.989 23.699 1.00 0.00 H ATOM 798 N SER A 85 -0.491 14.966 20.795 1.00 19.42 N ATOM 799 CA SER A 85 -1.124 16.210 20.374 1.00 20.87 C ATOM 800 C SER A 85 -0.084 17.312 20.214 1.00 18.27 C ATOM 801 O SER A 85 -0.159 18.350 20.874 1.00 19.88 O ATOM 802 CB SER A 85 -2.176 16.626 21.403 1.00 25.46 C ATOM 803 OG SER A 85 -2.909 17.751 20.955 1.00 36.88 O ATOM 804 HG SER A 85 -2.290 18.510 20.809 1.00 0.00 H ATOM 805 H SER A 85 -0.745 14.088 20.299 1.00 0.00 H ATOM 806 N LEU A 86 0.904 17.069 19.360 1.00 17.04 N ATOM 807 CA LEU A 86 2.056 17.962 19.287 1.00 18.48 C ATOM 808 C LEU A 86 1.687 19.354 18.795 1.00 16.49 C ATOM 809 O LEU A 86 0.815 19.525 17.939 1.00 16.96 O ATOM 810 CB LEU A 86 3.168 17.366 18.419 1.00 26.53 C ATOM 811 CG LEU A 86 4.149 16.473 19.195 1.00 30.11 C ATOM 812 CD1 LEU A 86 3.721 15.022 19.119 1.00 36.84 C ATOM 813 CD2 LEU A 86 5.573 16.649 18.698 1.00 29.94 C ATOM 814 H LEU A 86 0.856 16.236 18.739 1.00 0.00 H ATOM 815 N ALA A 87 2.357 20.344 19.371 1.00 18.04 N ATOM 816 CA ALA A 87 2.204 21.732 18.980 1.00 18.07 C ATOM 817 C ALA A 87 3.595 22.345 18.884 1.00 17.59 C ATOM 818 O ALA A 87 4.584 21.718 19.278 1.00 16.10 O ATOM 819 CB ALA A 87 1.360 22.476 20.003 1.00 21.12 C ATOM 820 H ALA A 87 3.022 20.114 20.137 1.00 0.00 H ATOM 821 N SER A 88 3.670 23.565 18.366 1.00 19.64 N ATOM 822 CA SER A 88 4.953 24.216 18.129 1.00 19.05 C ATOM 823 C SER A 88 5.876 24.207 19.351 1.00 17.91 C ATOM 824 O SER A 88 7.087 24.039 19.209 1.00 17.86 O ATOM 825 CB SER A 88 4.735 25.651 17.648 1.00 24.53 C ATOM 826 OG SER A 88 3.903 26.364 18.545 1.00 28.11 O ATOM 827 HG SER A 88 3.024 25.912 18.608 1.00 0.00 H ATOM 828 H SER A 88 2.793 24.068 18.123 1.00 0.00 H ATOM 829 N GLU A 89 5.314 24.363 20.547 1.00 16.92 N ATOM 830 CA GLU A 89 6.145 24.451 21.750 1.00 16.88 C ATOM 831 C GLU A 89 6.794 23.118 22.122 1.00 16.16 C ATOM 832 O GLU A 89 7.644 23.074 23.010 1.00 15.61 O ATOM 833 CB GLU A 89 5.354 25.003 22.943 1.00 21.85 C ATOM 834 CG GLU A 89 4.232 24.105 23.458 1.00 27.74 C ATOM 835 CD GLU A 89 2.870 24.427 22.862 1.00 32.66 C ATOM 836 OE1 GLU A 89 2.796 25.165 21.854 1.00 28.52 O ATOM 837 OE2 GLU A 89 1.864 23.931 23.414 1.00 40.44 O ATOM 838 H GLU A 89 4.279 24.423 20.628 1.00 0.00 H ATOM 839 N ASP A 90 6.399 22.045 21.441 1.00 15.28 N ATOM 840 CA ASP A 90 6.983 20.722 21.665 1.00 12.70 C ATOM 841 C ASP A 90 8.253 20.503 20.843 1.00 12.92 C ATOM 842 O ASP A 90 8.981 19.542 21.071 1.00 13.50 O ATOM 843 CB ASP A 90 5.962 19.623 21.352 1.00 13.08 C ATOM 844 CG ASP A 90 4.764 19.668 22.273 1.00 16.30 C ATOM 845 OD1 ASP A 90 4.953 19.823 23.500 1.00 16.97 O ATOM 846 OD2 ASP A 90 3.627 19.571 21.771 1.00 17.67 O ATOM 847 H ASP A 90 5.651 22.150 20.726 1.00 0.00 H ATOM 848 N ALA A 91 8.521 21.381 19.885 1.00 11.89 N ATOM 849 CA ALA A 91 9.761 21.297 19.130 1.00 12.56 C ATOM 850 C ALA A 91 10.918 21.558 20.087 1.00 12.64 C ATOM 851 O ALA A 91 10.951 22.578 20.777 1.00 14.23 O ATOM 852 CB ALA A 91 9.773 22.306 18.004 1.00 13.26 C ATOM 853 H ALA A 91 7.838 22.136 19.672 1.00 0.00 H ATOM 854 N ALA A 92 11.864 20.627 20.131 1.00 11.85 N ATOM 855 CA ALA A 92 12.924 20.655 21.125 1.00 11.94 C ATOM 856 C ALA A 92 13.865 19.499 20.871 1.00 10.45 C ATOM 857 O ALA A 92 13.574 18.618 20.061 1.00 11.79 O ATOM 858 CB ALA A 92 12.335 20.530 22.529 1.00 11.26 C ATOM 859 H ALA A 92 11.846 19.855 19.434 1.00 0.00 H ATOM 860 N VAL A 93 14.991 19.507 21.577 1.00 10.47 N ATOM 861 CA VAL A 93 15.826 18.329 21.719 1.00 9.00 C ATOM 862 C VAL A 93 15.388 17.614 23.004 1.00 9.98 C ATOM 863 O VAL A 93 15.221 18.242 24.060 1.00 11.37 O ATOM 864 CB VAL A 93 17.319 18.684 21.787 1.00 11.94 C ATOM 865 CG1 VAL A 93 18.163 17.438 22.032 1.00 12.60 C ATOM 866 CG2 VAL A 93 17.754 19.361 20.508 1.00 13.57 C ATOM 867 H VAL A 93 15.284 20.389 22.044 1.00 0.00 H ATOM 868 N TYR A 94 15.191 16.304 22.900 1.00 8.52 N ATOM 869 CA TYR A 94 14.816 15.466 24.033 1.00 8.67 C ATOM 870 C TYR A 94 15.964 14.517 24.374 1.00 9.09 C ATOM 871 O TYR A 94 16.532 13.881 23.484 1.00 10.18 O ATOM 872 CB TYR A 94 13.542 14.689 23.694 1.00 8.13 C ATOM 873 CG TYR A 94 12.336 15.594 23.568 1.00 10.03 C ATOM 874 CD1 TYR A 94 12.021 16.218 22.362 1.00 9.60 C ATOM 875 CD2 TYR A 94 11.528 15.852 24.664 1.00 9.27 C ATOM 876 CE1 TYR A 94 10.921 17.058 22.257 1.00 9.19 C ATOM 877 CE2 TYR A 94 10.433 16.684 24.564 1.00 10.17 C ATOM 878 CZ TYR A 94 10.140 17.283 23.370 1.00 10.56 C ATOM 879 OH TYR A 94 9.050 18.118 23.298 1.00 12.18 O ATOM 880 HH TYR A 94 8.968 18.473 22.377 1.00 0.00 H ATOM 881 H TYR A 94 15.310 15.856 21.969 1.00 0.00 H ATOM 882 N TYR A 95 16.314 14.462 25.659 1.00 8.40 N ATOM 883 CA TYR A 95 17.400 13.627 26.159 1.00 8.67 C ATOM 884 C TYR A 95 16.871 12.594 27.132 1.00 9.12 C ATOM 885 O TYR A 95 15.952 12.872 27.896 1.00 8.80 O ATOM 886 CB TYR A 95 18.424 14.467 26.925 1.00 10.17 C ATOM 887 CG TYR A 95 19.205 15.460 26.100 1.00 9.94 C ATOM 888 CD1 TYR A 95 20.241 15.044 25.282 1.00 9.00 C ATOM 889 CD2 TYR A 95 18.919 16.815 26.149 1.00 10.80 C ATOM 890 CE1 TYR A 95 20.979 15.945 24.547 1.00 12.42 C ATOM 891 CE2 TYR A 95 19.649 17.722 25.412 1.00 9.96 C ATOM 892 CZ TYR A 95 20.673 17.284 24.608 1.00 10.58 C ATOM 893 OH TYR A 95 21.400 18.198 23.869 1.00 13.64 O ATOM 894 HH TYR A 95 22.094 17.722 23.348 1.00 0.00 H ATOM 895 H TYR A 95 15.786 15.044 26.340 1.00 0.00 H ATOM 896 N CYS A 96 17.483 11.414 27.132 1.00 8.64 N ATOM 897 CA CYS A 96 17.302 10.477 28.229 1.00 10.04 C ATOM 898 C CYS A 96 18.591 10.421 29.045 1.00 11.38 C ATOM 899 O CYS A 96 19.665 10.760 28.549 1.00 10.30 O ATOM 900 CB CYS A 96 16.914 9.096 27.716 1.00 9.46 C ATOM 901 SG CYS A 96 18.101 8.370 26.580 1.00 11.61 S ATOM 902 H CYS A 96 18.100 11.157 26.336 1.00 0.00 H ATOM 903 N ALA A 97 18.473 10.031 30.309 1.00 9.93 N ATOM 904 CA ALA A 97 19.636 9.908 31.186 1.00 9.22 C ATOM 905 C ALA A 97 19.408 8.847 32.247 1.00 8.89 C ATOM 906 O ALA A 97 18.270 8.560 32.626 1.00 8.37 O ATOM 907 CB ALA A 97 19.959 11.229 31.852 1.00 9.07 C ATOM 908 H ALA A 97 17.529 9.807 30.684 1.00 0.00 H ATOM 909 N THR A 98 20.505 8.277 32.739 1.00 8.32 N ATOM 910 CA THR A 98 20.446 7.313 33.833 1.00 9.78 C ATOM 911 C THR A 98 21.760 7.326 34.630 1.00 7.83 C ATOM 912 O THR A 98 22.630 8.157 34.385 1.00 9.12 O ATOM 913 CB THR A 98 20.089 5.897 33.314 1.00 9.70 C ATOM 914 OG1 THR A 98 19.654 5.073 34.399 1.00 8.74 O ATOM 915 CG2 THR A 98 21.266 5.241 32.601 1.00 9.98 C ATOM 916 HG1 THR A 98 18.854 5.478 34.819 1.00 0.00 H ATOM 917 H THR A 98 21.430 8.525 32.333 1.00 0.00 H ATOM 918 N TYR A 99 21.887 6.400 35.578 1.00 9.05 N ATOM 919 CA TYR A 99 23.008 6.347 36.528 1.00 9.33 C ATOM 920 C TYR A 99 22.965 7.612 37.386 1.00 9.55 C ATOM 921 O TYR A 99 23.821 8.502 37.297 1.00 9.06 O ATOM 922 CB TYR A 99 24.361 6.169 35.818 1.00 9.11 C ATOM 923 CG TYR A 99 25.424 5.566 36.717 1.00 9.10 C ATOM 924 CD1 TYR A 99 26.335 6.364 37.386 1.00 9.97 C ATOM 925 CD2 TYR A 99 25.494 4.198 36.911 1.00 10.15 C ATOM 926 CE1 TYR A 99 27.309 5.807 38.214 1.00 11.23 C ATOM 927 CE2 TYR A 99 26.457 3.633 37.735 1.00 11.24 C ATOM 928 CZ TYR A 99 27.349 4.446 38.390 1.00 10.42 C ATOM 929 OH TYR A 99 28.293 3.872 39.206 1.00 16.88 O ATOM 930 HH TYR A 99 28.858 4.581 39.604 1.00 0.00 H ATOM 931 H TYR A 99 21.149 5.671 35.651 1.00 0.00 H ATOM 932 N GLY A 100 21.947 7.692 38.232 1.00 8.00 N ATOM 933 CA GLY A 100 21.500 8.986 38.707 1.00 7.64 C ATOM 934 C GLY A 100 21.133 9.772 37.465 1.00 8.08 C ATOM 935 O GLY A 100 20.306 9.315 36.663 1.00 9.33 O ATOM 936 H GLY A 100 21.470 6.826 38.555 1.00 0.00 H ATOM 937 N VAL A 101 21.760 10.930 37.281 1.00 8.77 N ATOM 938 CA VAL A 101 21.623 11.682 36.030 1.00 8.97 C ATOM 939 C VAL A 101 22.995 11.904 35.383 1.00 8.30 C ATOM 940 O VAL A 101 23.234 12.909 34.718 1.00 9.95 O ATOM 941 CB VAL A 101 20.865 13.016 36.241 1.00 8.77 C ATOM 942 CG1 VAL A 101 19.389 12.749 36.502 1.00 11.67 C ATOM 943 CG2 VAL A 101 21.493 13.830 37.367 1.00 10.63 C ATOM 944 H VAL A 101 22.360 11.310 38.040 1.00 0.00 H ATOM 945 N ALA A 102 23.894 10.943 35.564 1.00 7.91 N ATOM 946 CA ALA A 102 25.275 11.101 35.101 1.00 9.19 C ATOM 947 C ALA A 102 25.491 10.805 33.624 1.00 10.15 C ATOM 948 O ALA A 102 26.348 11.429 33.004 1.00 12.34 O ATOM 949 CB ALA A 102 26.209 10.218 35.928 1.00 11.04 C ATOM 950 H ALA A 102 23.613 10.063 36.043 1.00 0.00 H ATOM 951 N TYR A 103 24.758 9.837 33.077 1.00 9.01 N ATOM 952 CA TYR A 103 24.976 9.377 31.704 1.00 10.07 C ATOM 953 C TYR A 103 23.789 9.755 30.835 1.00 10.62 C ATOM 954 O TYR A 103 22.659 9.366 31.131 1.00 10.76 O ATOM 955 CB TYR A 103 25.152 7.860 31.645 1.00 12.31 C ATOM 956 CG TYR A 103 26.222 7.293 32.543 1.00 13.85 C ATOM 957 CD1 TYR A 103 27.280 8.066 32.979 1.00 16.58 C ATOM 958 CD2 TYR A 103 26.162 5.966 32.952 1.00 15.41 C ATOM 959 CE1 TYR A 103 28.259 7.530 33.808 1.00 17.82 C ATOM 960 CE2 TYR A 103 27.130 5.426 33.769 1.00 21.90 C ATOM 961 CZ TYR A 103 28.169 6.214 34.194 1.00 17.22 C ATOM 962 OH TYR A 103 29.135 5.671 35.010 1.00 29.17 O ATOM 963 HH TYR A 103 29.809 6.363 35.226 1.00 0.00 H ATOM 964 H TYR A 103 24.007 9.394 33.643 1.00 0.00 H ATOM 965 N TRP A 104 24.053 10.489 29.761 1.00 10.61 N ATOM 966 CA TRP A 104 23.002 11.000 28.891 1.00 8.90 C ATOM 967 C TRP A 104 23.109 10.442 27.489 1.00 10.52 C ATOM 968 O TRP A 104 24.211 10.180 26.991 1.00 11.95 O ATOM 969 CB TRP A 104 23.089 12.518 28.790 1.00 11.28 C ATOM 970 CG TRP A 104 22.728 13.261 30.035 1.00 8.97 C ATOM 971 CD1 TRP A 104 23.167 13.010 31.296 1.00 11.15 C ATOM 972 CD2 TRP A 104 21.870 14.400 30.127 1.00 9.54 C ATOM 973 NE1 TRP A 104 22.630 13.922 32.170 1.00 10.75 N ATOM 974 CE2 TRP A 104 21.834 14.795 31.473 1.00 9.28 C ATOM 975 CE3 TRP A 104 21.136 15.133 29.192 1.00 10.07 C ATOM 976 CZ2 TRP A 104 21.079 15.882 31.914 1.00 10.17 C ATOM 977 CZ3 TRP A 104 20.387 16.214 29.625 1.00 10.23 C ATOM 978 CH2 TRP A 104 20.368 16.581 30.976 1.00 11.35 C ATOM 979 HE1 TRP A 104 22.799 13.947 33.196 1.00 0.00 H ATOM 980 H TRP A 104 25.044 10.707 29.533 1.00 0.00 H ATOM 981 N GLY A 105 21.957 10.291 26.841 1.00 9.32 N ATOM 982 CA GLY A 105 21.904 9.987 25.424 1.00 9.94 C ATOM 983 C GLY A 105 22.310 11.206 24.614 1.00 10.55 C ATOM 984 O GLY A 105 22.546 12.281 25.173 1.00 11.03 O ATOM 985 H GLY A 105 21.066 10.394 27.367 1.00 0.00 H ATOM 986 N GLN A 106 22.372 11.046 23.298 1.00 10.78 N ATOM 987 CA GLN A 106 22.899 12.086 22.420 1.00 13.33 C ATOM 988 C GLN A 106 21.833 13.107 22.029 1.00 13.41 C ATOM 989 O GLN A 106 22.130 14.119 21.389 1.00 13.96 O ATOM 990 CB GLN A 106 23.540 11.459 21.170 1.00 15.10 C ATOM 991 CG GLN A 106 22.593 11.097 20.016 1.00 19.53 C ATOM 992 CD GLN A 106 21.852 9.781 20.214 1.00 20.88 C ATOM 993 OE1 GLN A 106 21.878 9.174 21.292 1.00 15.10 O ATOM 994 NE2 GLN A 106 21.194 9.326 19.154 1.00 23.84 N ATOM 995 HE22 GLN A 106 21.199 9.869 18.267 1.00 0.00 H ATOM 996 HE21 GLN A 106 20.674 8.427 19.211 1.00 0.00 H ATOM 997 H GLN A 106 22.036 10.155 22.881 1.00 0.00 H ATOM 998 N GLY A 107 20.593 12.838 22.416 1.00 12.52 N ATOM 999 CA GLY A 107 19.488 13.710 22.064 1.00 11.30 C ATOM 1000 C GLY A 107 18.786 13.319 20.774 1.00 10.96 C ATOM 1001 O GLY A 107 19.406 12.809 19.839 1.00 14.11 O ATOM 1002 H GLY A 107 20.409 11.986 22.983 1.00 0.00 H ATOM 1003 N THR A 108 17.476 13.550 20.751 1.00 10.45 N ATOM 1004 CA THR A 108 16.660 13.413 19.556 1.00 10.57 C ATOM 1005 C THR A 108 16.008 14.760 19.296 1.00 11.64 C ATOM 1006 O THR A 108 15.345 15.314 20.175 1.00 10.67 O ATOM 1007 CB THR A 108 15.541 12.373 19.749 1.00 11.33 C ATOM 1008 OG1 THR A 108 16.118 11.093 20.043 1.00 12.55 O ATOM 1009 CG2 THR A 108 14.677 12.262 18.504 1.00 13.15 C ATOM 1010 HG1 THR A 108 16.700 10.815 19.292 1.00 0.00 H ATOM 1011 H THR A 108 17.012 13.844 21.634 1.00 0.00 H ATOM 1012 N LEU A 109 16.208 15.283 18.093 1.00 12.02 N ATOM 1013 CA LEU A 109 15.576 16.532 17.691 1.00 12.46 C ATOM 1014 C LEU A 109 14.176 16.261 17.164 1.00 13.15 C ATOM 1015 O LEU A 109 13.990 15.447 16.251 1.00 13.76 O ATOM 1016 CB LEU A 109 16.396 17.226 16.605 1.00 13.22 C ATOM 1017 CG LEU A 109 15.812 18.538 16.076 1.00 16.53 C ATOM 1018 CD1 LEU A 109 15.853 19.628 17.144 1.00 13.85 C ATOM 1019 CD2 LEU A 109 16.557 18.975 14.830 1.00 18.46 C ATOM 1020 H LEU A 109 16.830 14.790 17.422 1.00 0.00 H ATOM 1021 N VAL A 110 13.200 16.948 17.745 1.00 13.22 N ATOM 1022 CA VAL A 110 11.835 16.946 17.243 1.00 13.34 C ATOM 1023 C VAL A 110 11.544 18.329 16.678 1.00 13.38 C ATOM 1024 O VAL A 110 11.682 19.341 17.371 1.00 13.73 O ATOM 1025 CB VAL A 110 10.821 16.604 18.356 1.00 13.64 C ATOM 1026 CG1 VAL A 110 9.385 16.759 17.860 1.00 17.80 C ATOM 1027 CG2 VAL A 110 11.057 15.194 18.869 1.00 13.55 C ATOM 1028 H VAL A 110 13.420 17.510 18.592 1.00 0.00 H ATOM 1029 N THR A 111 11.173 18.367 15.405 1.00 13.48 N ATOM 1030 CA THR A 111 10.774 19.605 14.756 1.00 16.24 C ATOM 1031 C THR A 111 9.306 19.480 14.384 1.00 16.57 C ATOM 1032 O THR A 111 8.844 18.388 14.055 1.00 19.57 O ATOM 1033 CB THR A 111 11.618 19.860 13.503 1.00 18.75 C ATOM 1034 OG1 THR A 111 11.601 18.698 12.665 1.00 23.91 O ATOM 1035 CG2 THR A 111 13.054 20.171 13.889 1.00 14.24 C ATOM 1036 HG1 THR A 111 11.975 17.928 13.163 1.00 0.00 H ATOM 1037 H THR A 111 11.167 17.485 14.855 1.00 0.00 H ATOM 1038 N VAL A 112 8.572 20.590 14.461 1.00 16.09 N ATOM 1039 CA VAL A 112 7.138 20.584 14.185 1.00 14.91 C ATOM 1040 C VAL A 112 6.857 21.409 12.934 1.00 16.10 C ATOM 1041 O VAL A 112 7.222 22.579 12.857 1.00 17.08 O ATOM 1042 CB VAL A 112 6.324 21.129 15.382 1.00 20.48 C ATOM 1043 CG1 VAL A 112 4.834 21.138 15.068 1.00 19.52 C ATOM 1044 CG2 VAL A 112 6.589 20.293 16.628 1.00 17.42 C ATOM 1045 H VAL A 112 9.033 21.484 14.725 1.00 0.00 H ATOM 1046 N SER A 113 6.228 20.791 11.945 1.00 16.75 N ATOM 1047 CA SER A 113 5.971 21.485 10.692 1.00 17.99 C ATOM 1048 C SER A 113 4.775 22.428 10.805 1.00 19.58 C ATOM 1049 O SER A 113 3.944 22.299 11.702 1.00 18.25 O ATOM 1050 CB SER A 113 5.757 20.483 9.555 1.00 21.32 C ATOM 1051 OG SER A 113 4.857 19.462 9.935 1.00 22.06 O ATOM 1052 HG SER A 113 3.984 19.864 10.170 1.00 0.00 H ATOM 1053 H SER A 113 5.917 19.806 12.065 1.00 0.00 H ATOM 1054 N ALA A 114 4.711 23.377 9.881 1.00 19.79 N ATOM 1055 CA ALA A 114 3.658 24.382 9.862 1.00 20.63 C ATOM 1056 C ALA A 114 2.463 23.928 9.033 1.00 21.55 C ATOM 1057 O ALA A 114 2.497 22.901 8.351 1.00 21.62 O ATOM 1058 CB ALA A 114 4.207 25.685 9.311 1.00 21.49 C ATOM 1059 OXT ALA A 114 1.437 24.610 9.025 1.00 22.31 O ATOM 1060 H ALA A 114 5.441 23.404 9.141 1.00 0.00 H TER 1061 ALA A 114 ATOM 1062 N ASP B 1 7.786 24.773 43.095 1.00 16.78 N ATOM 1063 CA ASP B 1 8.995 24.209 42.444 1.00 14.11 C ATOM 1064 C ASP B 1 10.191 25.069 42.842 1.00 14.82 C ATOM 1065 O ASP B 1 10.036 26.225 43.241 1.00 18.50 O ATOM 1066 CB ASP B 1 8.804 24.179 40.920 1.00 19.31 C ATOM 1067 CG ASP B 1 7.556 23.387 40.492 1.00 14.38 C ATOM 1068 OD1 ASP B 1 6.803 22.923 41.368 1.00 12.59 O ATOM 1069 OD2 ASP B 1 7.317 23.247 39.276 1.00 23.60 O ATOM 1070 HN3 ASP B 1 7.647 25.753 42.775 1.00 0.00 H ATOM 1071 HN2 ASP B 1 7.911 24.759 44.127 1.00 0.00 H ATOM 1072 HN1 ASP B 1 6.956 24.201 42.837 1.00 0.00 H ATOM 1073 N ILE B 2 11.384 24.502 42.762 1.00 11.43 N ATOM 1074 CA ILE B 2 12.584 25.242 43.101 1.00 11.22 C ATOM 1075 C ILE B 2 13.106 25.950 41.854 1.00 16.16 C ATOM 1076 O ILE B 2 13.345 25.323 40.823 1.00 18.60 O ATOM 1077 CB ILE B 2 13.651 24.319 43.718 1.00 10.99 C ATOM 1078 CG1 ILE B 2 13.065 23.626 44.958 1.00 12.34 C ATOM 1079 CG2 ILE B 2 14.909 25.125 44.065 1.00 12.89 C ATOM 1080 CD1 ILE B 2 14.039 22.759 45.727 1.00 12.87 C ATOM 1081 H ILE B 2 11.462 23.512 42.452 1.00 0.00 H ATOM 1082 N VAL B 3 13.251 27.265 41.946 1.00 10.40 N ATOM 1083 CA VAL B 3 13.752 28.068 40.835 1.00 11.40 C ATOM 1084 C VAL B 3 15.235 28.340 41.038 1.00 10.22 C ATOM 1085 O VAL B 3 15.650 28.803 42.101 1.00 11.21 O ATOM 1086 CB VAL B 3 12.980 29.394 40.710 1.00 10.87 C ATOM 1087 CG1 VAL B 3 13.551 30.273 39.592 1.00 12.50 C ATOM 1088 CG2 VAL B 3 11.507 29.115 40.452 1.00 13.41 C ATOM 1089 H VAL B 3 13.000 27.739 42.837 1.00 0.00 H ATOM 1090 N LEU B 4 16.021 28.047 40.006 1.00 10.05 N ATOM 1091 CA LEU B 4 17.464 28.248 40.044 1.00 9.49 C ATOM 1092 C LEU B 4 17.877 29.424 39.179 1.00 8.21 C ATOM 1093 O LEU B 4 17.542 29.494 37.992 1.00 11.46 O ATOM 1094 CB LEU B 4 18.195 26.984 39.576 1.00 8.51 C ATOM 1095 CG LEU B 4 17.921 25.695 40.359 1.00 12.80 C ATOM 1096 CD1 LEU B 4 18.859 24.589 39.879 1.00 12.28 C ATOM 1097 CD2 LEU B 4 18.057 25.889 41.852 1.00 13.53 C ATOM 1098 H LEU B 4 15.591 27.661 39.141 1.00 0.00 H ATOM 1099 N THR B 5 18.621 30.342 39.784 1.00 8.96 N ATOM 1100 CA THR B 5 19.064 31.556 39.109 1.00 9.26 C ATOM 1101 C THR B 5 20.584 31.594 39.076 1.00 8.15 C ATOM 1102 O THR B 5 21.232 31.570 40.127 1.00 9.21 O ATOM 1103 CB THR B 5 18.548 32.799 39.853 1.00 9.81 C ATOM 1104 OG1 THR B 5 17.117 32.768 39.890 1.00 12.83 O ATOM 1105 CG2 THR B 5 19.010 34.084 39.172 1.00 15.25 C ATOM 1106 HG1 THR B 5 16.818 31.951 40.362 1.00 0.00 H ATOM 1107 H THR B 5 18.898 30.190 40.775 1.00 0.00 H ATOM 1108 N GLN B 6 21.145 31.646 37.870 1.00 8.78 N ATOM 1109 CA GLN B 6 22.595 31.708 37.705 1.00 8.78 C ATOM 1110 C GLN B 6 23.102 33.129 37.518 1.00 11.19 C ATOM 1111 O GLN B 6 22.407 33.992 36.973 1.00 12.22 O ATOM 1112 CB GLN B 6 23.042 30.834 36.533 1.00 11.12 C ATOM 1113 CG GLN B 6 22.681 29.383 36.742 1.00 10.18 C ATOM 1114 CD GLN B 6 23.173 28.449 35.662 1.00 8.99 C ATOM 1115 OE1 GLN B 6 22.478 27.503 35.309 1.00 8.84 O ATOM 1116 NE2 GLN B 6 24.368 28.684 35.150 1.00 11.28 N ATOM 1117 HE22 GLN B 6 24.924 29.499 35.479 1.00 0.00 H ATOM 1118 HE21 GLN B 6 24.753 28.054 34.418 1.00 0.00 H ATOM 1119 H GLN B 6 20.537 31.642 37.026 1.00 0.00 H ATOM 1120 N SER B 7 24.321 33.359 37.986 1.00 11.99 N ATOM 1121 CA SER B 7 24.975 34.655 37.851 1.00 12.65 C ATOM 1122 C SER B 7 26.465 34.450 37.591 1.00 10.84 C ATOM 1123 O SER B 7 27.135 33.713 38.327 1.00 11.13 O ATOM 1124 CB SER B 7 24.776 35.491 39.117 1.00 12.22 C ATOM 1125 OG SER B 7 25.459 36.729 39.021 1.00 22.99 O ATOM 1126 HG SER B 7 25.111 37.237 38.246 1.00 0.00 H ATOM 1127 H SER B 7 24.828 32.588 38.466 1.00 0.00 H ATOM 1128 N PRO B 8 27.000 35.084 36.536 1.00 10.79 N ATOM 1129 CA PRO B 8 26.355 35.937 35.536 1.00 11.77 C ATOM 1130 C PRO B 8 25.702 35.077 34.461 1.00 12.60 C ATOM 1131 O PRO B 8 25.890 33.863 34.483 1.00 13.74 O ATOM 1132 CB PRO B 8 27.531 36.716 34.950 1.00 11.65 C ATOM 1133 CG PRO B 8 28.647 35.732 34.993 1.00 11.99 C ATOM 1134 CD PRO B 8 28.454 34.980 36.292 1.00 11.77 C ATOM 1135 N ALA B 9 24.960 35.692 33.546 1.00 13.12 N ATOM 1136 CA ALA B 9 24.396 34.974 32.411 1.00 19.13 C ATOM 1137 C ALA B 9 25.483 34.656 31.385 1.00 13.33 C ATOM 1138 O ALA B 9 25.410 33.652 30.678 1.00 12.91 O ATOM 1139 CB ALA B 9 23.287 35.798 31.765 1.00 19.93 C ATOM 1140 H ALA B 9 24.777 36.711 33.643 1.00 0.00 H ATOM 1141 N SER B 10 26.485 35.523 31.302 1.00 14.26 N ATOM 1142 CA SER B 10 27.595 35.316 30.387 1.00 14.65 C ATOM 1143 C SER B 10 28.872 35.856 31.007 1.00 14.29 C ATOM 1144 O SER B 10 28.855 36.845 31.745 1.00 15.73 O ATOM 1145 CB SER B 10 27.332 35.986 29.038 1.00 21.90 C ATOM 1146 OG SER B 10 27.228 37.386 29.180 1.00 30.13 O ATOM 1147 HG SER B 10 28.073 37.742 29.553 1.00 0.00 H ATOM 1148 H SER B 10 26.475 36.370 31.906 1.00 0.00 H ATOM 1149 N LEU B 11 29.975 35.190 30.691 1.00 15.52 N ATOM 1150 CA LEU B 11 31.253 35.449 31.332 1.00 20.29 C ATOM 1151 C LEU B 11 32.366 35.309 30.304 1.00 19.56 C ATOM 1152 O LEU B 11 32.494 34.270 29.661 1.00 16.61 O ATOM 1153 CB LEU B 11 31.449 34.440 32.470 1.00 27.97 C ATOM 1154 CG LEU B 11 32.716 34.470 33.321 1.00 29.47 C ATOM 1155 CD1 LEU B 11 32.867 35.810 34.018 1.00 35.60 C ATOM 1156 CD2 LEU B 11 32.688 33.340 34.333 1.00 33.84 C ATOM 1157 H LEU B 11 29.923 34.455 29.957 1.00 0.00 H ATOM 1158 N ALA B 12 33.152 36.365 30.132 1.00 19.11 N ATOM 1159 CA ALA B 12 34.337 36.308 29.291 1.00 20.29 C ATOM 1160 C ALA B 12 35.547 36.346 30.204 1.00 22.09 C ATOM 1161 O ALA B 12 35.679 37.242 31.032 1.00 24.23 O ATOM 1162 CB ALA B 12 34.364 37.466 28.315 1.00 23.58 C ATOM 1163 H ALA B 12 32.914 37.257 30.611 1.00 0.00 H ATOM 1164 N VAL B 13 36.419 35.359 30.062 1.00 17.82 N ATOM 1165 CA VAL B 13 37.544 35.206 30.969 1.00 18.16 C ATOM 1166 C VAL B 13 38.827 35.031 30.186 1.00 22.24 C ATOM 1167 O VAL B 13 38.818 34.572 29.041 1.00 23.10 O ATOM 1168 CB VAL B 13 37.346 34.001 31.900 1.00 17.64 C ATOM 1169 CG1 VAL B 13 36.178 34.255 32.843 1.00 22.76 C ATOM 1170 CG2 VAL B 13 37.123 32.733 31.088 1.00 27.59 C ATOM 1171 H VAL B 13 36.296 34.679 29.285 1.00 0.00 H ATOM 1172 N SER B 14 39.929 35.421 30.810 1.00 18.21 N ATOM 1173 CA SER B 14 41.243 35.274 30.210 1.00 22.20 C ATOM 1174 C SER B 14 41.767 33.872 30.480 1.00 21.50 C ATOM 1175 O SER B 14 41.544 33.305 31.548 1.00 20.61 O ATOM 1176 CB SER B 14 42.202 36.320 30.773 1.00 23.21 C ATOM 1177 OG SER B 14 41.730 37.629 30.493 1.00 28.67 O ATOM 1178 HG SER B 14 40.839 37.753 30.907 1.00 0.00 H ATOM 1179 H SER B 14 39.850 35.845 31.757 1.00 0.00 H ATOM 1180 N LEU B 15 42.445 33.307 29.493 1.00 19.28 N ATOM 1181 CA LEU B 15 43.101 32.022 29.655 1.00 16.86 C ATOM 1182 C LEU B 15 43.992 32.042 30.894 1.00 16.93 C ATOM 1183 O LEU B 15 44.757 32.981 31.093 1.00 17.69 O ATOM 1184 CB LEU B 15 43.950 31.728 28.417 1.00 21.51 C ATOM 1185 CG LEU B 15 44.478 30.311 28.223 1.00 27.51 C ATOM 1186 CD1 LEU B 15 43.336 29.359 27.894 1.00 25.70 C ATOM 1187 CD2 LEU B 15 45.552 30.300 27.132 1.00 26.51 C ATOM 1188 H LEU B 15 42.509 33.797 28.578 1.00 0.00 H ATOM 1189 N GLY B 16 43.865 31.023 31.739 1.00 17.02 N ATOM 1190 CA GLY B 16 44.739 30.879 32.893 1.00 20.02 C ATOM 1191 C GLY B 16 44.229 31.499 34.187 1.00 16.35 C ATOM 1192 O GLY B 16 44.807 31.273 35.249 1.00 19.21 O ATOM 1193 H GLY B 16 43.124 30.313 31.571 1.00 0.00 H ATOM 1194 N GLN B 17 43.157 32.277 34.107 1.00 15.51 N ATOM 1195 CA GLN B 17 42.570 32.885 35.296 1.00 14.79 C ATOM 1196 C GLN B 17 41.590 31.923 35.967 1.00 13.77 C ATOM 1197 O GLN B 17 41.263 30.868 35.419 1.00 13.75 O ATOM 1198 CB GLN B 17 41.825 34.173 34.930 1.00 16.76 C ATOM 1199 CG GLN B 17 40.442 33.938 34.319 1.00 22.72 C ATOM 1200 CD GLN B 17 39.620 35.212 34.193 1.00 22.97 C ATOM 1201 OE1 GLN B 17 39.878 36.054 33.331 1.00 27.08 O ATOM 1202 NE2 GLN B 17 38.622 35.357 35.057 1.00 21.46 N ATOM 1203 HE22 GLN B 17 38.439 34.621 35.769 1.00 0.00 H ATOM 1204 HE21 GLN B 17 38.023 36.206 35.022 1.00 0.00 H ATOM 1205 H GLN B 17 42.727 32.457 33.178 1.00 0.00 H ATOM 1206 N ARG B 18 41.100 32.311 37.141 1.00 13.35 N ATOM 1207 CA ARG B 18 40.005 31.609 37.792 1.00 12.46 C ATOM 1208 C ARG B 18 38.683 32.235 37.379 1.00 12.04 C ATOM 1209 O ARG B 18 38.608 33.435 37.115 1.00 12.43 O ATOM 1210 CB ARG B 18 40.107 31.735 39.306 1.00 14.24 C ATOM 1211 CG ARG B 18 41.253 31.024 39.963 1.00 16.29 C ATOM 1212 CD ARG B 18 41.529 31.725 41.275 1.00 20.76 C ATOM 1213 NE ARG B 18 42.201 30.902 42.267 1.00 22.06 N ATOM 1214 CZ ARG B 18 43.482 31.021 42.607 1.00 13.86 C ATOM 1215 NH1 ARG B 18 44.264 31.908 42.008 1.00 19.85 N ATOM 1216 NH2 ARG B 18 43.980 30.224 43.539 1.00 20.70 N ATOM 1217 HE ARG B 18 41.641 30.168 42.745 1.00 0.00 H ATOM 1218 HH12 ARG B 18 45.263 31.990 42.284 1.00 0.00 H ATOM 1219 HH11 ARG B 18 43.878 32.522 41.262 1.00 0.00 H ATOM 1220 HH22 ARG B 18 44.980 30.307 43.814 1.00 0.00 H ATOM 1221 HH21 ARG B 18 43.372 29.515 43.996 1.00 0.00 H ATOM 1222 H ARG B 18 41.513 33.143 37.609 1.00 0.00 H ATOM 1223 N ALA B 19 37.638 31.415 37.360 1.00 11.33 N ATOM 1224 CA ALA B 19 36.276 31.885 37.106 1.00 10.92 C ATOM 1225 C ALA B 19 35.317 31.188 38.069 1.00 10.20 C ATOM 1226 O ALA B 19 35.498 30.015 38.397 1.00 10.03 O ATOM 1227 CB ALA B 19 35.871 31.597 35.668 1.00 13.41 C ATOM 1228 H ALA B 19 37.794 30.401 37.532 1.00 0.00 H ATOM 1229 N THR B 20 34.304 31.918 38.519 1.00 10.51 N ATOM 1230 CA THR B 20 33.265 31.360 39.377 1.00 11.16 C ATOM 1231 C THR B 20 31.893 31.665 38.807 1.00 10.07 C ATOM 1232 O THR B 20 31.614 32.792 38.386 1.00 12.29 O ATOM 1233 CB THR B 20 33.367 31.910 40.820 1.00 12.16 C ATOM 1234 OG1 THR B 20 34.580 31.445 41.415 1.00 15.34 O ATOM 1235 CG2 THR B 20 32.196 31.442 41.684 1.00 17.08 C ATOM 1236 HG1 THR B 20 34.649 31.795 42.339 1.00 0.00 H ATOM 1237 H THR B 20 34.249 32.921 38.251 1.00 0.00 H ATOM 1238 N ILE B 21 31.039 30.645 38.803 1.00 9.12 N ATOM 1239 CA ILE B 21 29.644 30.761 38.390 1.00 10.87 C ATOM 1240 C ILE B 21 28.772 30.472 39.609 1.00 8.05 C ATOM 1241 O ILE B 21 28.992 29.493 40.320 1.00 9.54 O ATOM 1242 CB ILE B 21 29.309 29.787 37.240 1.00 11.78 C ATOM 1243 CG1 ILE B 21 30.187 30.089 36.024 1.00 14.43 C ATOM 1244 CG2 ILE B 21 27.826 29.863 36.866 1.00 12.24 C ATOM 1245 CD1 ILE B 21 30.112 29.032 34.927 1.00 14.48 C ATOM 1246 H ILE B 21 31.384 29.714 39.111 1.00 0.00 H ATOM 1247 N SER B 22 27.809 31.355 39.856 1.00 9.31 N ATOM 1248 CA SER B 22 26.900 31.256 40.992 1.00 9.99 C ATOM 1249 C SER B 22 25.566 30.661 40.564 1.00 8.24 C ATOM 1250 O SER B 22 25.071 30.948 39.482 1.00 9.49 O ATOM 1251 CB SER B 22 26.658 32.653 41.591 1.00 13.40 C ATOM 1252 OG SER B 22 25.494 32.672 42.410 1.00 17.04 O ATOM 1253 HG SER B 22 25.603 32.026 43.152 1.00 0.00 H ATOM 1254 H SER B 22 27.698 32.158 39.205 1.00 0.00 H ATOM 1255 N CYS B 23 24.996 29.836 41.430 1.00 8.23 N ATOM 1256 CA CYS B 23 23.644 29.322 41.261 1.00 9.60 C ATOM 1257 C CYS B 23 22.915 29.456 42.587 1.00 8.88 C ATOM 1258 O CYS B 23 23.341 28.890 43.607 1.00 10.11 O ATOM 1259 CB CYS B 23 23.668 27.861 40.819 1.00 9.23 C ATOM 1260 SG CYS B 23 22.034 27.079 40.596 1.00 10.98 S ATOM 1261 H CYS B 23 25.538 29.543 42.268 1.00 0.00 H ATOM 1262 N LYS B 24 21.831 30.225 42.575 1.00 9.77 N ATOM 1263 CA LYS B 24 21.020 30.422 43.766 1.00 9.89 C ATOM 1264 C LYS B 24 19.644 29.800 43.605 1.00 11.08 C ATOM 1265 O LYS B 24 18.951 30.048 42.622 1.00 12.04 O ATOM 1266 CB LYS B 24 20.927 31.898 44.115 1.00 13.69 C ATOM 1267 CG LYS B 24 22.266 32.441 44.591 1.00 14.41 C ATOM 1268 CD LYS B 24 22.188 33.877 45.008 1.00 16.69 C ATOM 1269 CE LYS B 24 23.553 34.378 45.433 1.00 20.77 C ATOM 1270 NZ LYS B 24 23.479 35.781 45.907 1.00 23.22 N ATOM 1271 HZ1 LYS B 24 23.124 36.387 45.140 1.00 0.00 H ATOM 1272 HZ2 LYS B 24 22.834 35.837 46.721 1.00 0.00 H ATOM 1273 HZ3 LYS B 24 24.427 36.100 46.192 1.00 0.00 H ATOM 1274 H LYS B 24 21.556 30.698 41.691 1.00 0.00 H ATOM 1275 N ALA B 25 19.264 28.981 44.581 1.00 11.39 N ATOM 1276 CA ALA B 25 17.984 28.286 44.567 1.00 9.58 C ATOM 1277 C ALA B 25 16.966 29.063 45.379 1.00 10.36 C ATOM 1278 O ALA B 25 17.299 29.671 46.398 1.00 11.66 O ATOM 1279 CB ALA B 25 18.141 26.895 45.135 1.00 10.59 C ATOM 1280 H ALA B 25 19.906 28.831 45.386 1.00 0.00 H ATOM 1281 N SER B 26 15.715 29.045 44.936 1.00 9.25 N ATOM 1282 CA SER B 26 14.677 29.818 45.598 1.00 10.27 C ATOM 1283 C SER B 26 14.233 29.195 46.926 1.00 9.47 C ATOM 1284 O SER B 26 13.643 29.879 47.768 1.00 11.68 O ATOM 1285 CB SER B 26 13.487 29.998 44.660 1.00 9.75 C ATOM 1286 OG SER B 26 12.867 28.758 44.372 1.00 9.86 O ATOM 1287 HG SER B 26 12.101 28.907 43.763 1.00 0.00 H ATOM 1288 H SER B 26 15.474 28.470 44.104 1.00 0.00 H ATOM 1289 N GLN B 27 14.528 27.906 47.095 1.00 10.05 N ATOM 1290 CA GLN B 27 14.284 27.174 48.332 1.00 11.20 C ATOM 1291 C GLN B 27 15.448 26.209 48.518 1.00 10.70 C ATOM 1292 O GLN B 27 16.155 25.904 47.562 1.00 10.60 O ATOM 1293 CB GLN B 27 12.970 26.391 48.251 1.00 11.59 C ATOM 1294 CG GLN B 27 11.759 27.273 48.036 1.00 14.19 C ATOM 1295 CD GLN B 27 10.498 26.473 47.787 1.00 14.18 C ATOM 1296 OE1 GLN B 27 10.533 25.418 47.160 1.00 15.67 O ATOM 1297 NE2 GLN B 27 9.373 26.980 48.269 1.00 16.05 N ATOM 1298 HE22 GLN B 27 9.390 27.877 48.795 1.00 0.00 H ATOM 1299 HE21 GLN B 27 8.473 26.481 48.122 1.00 0.00 H ATOM 1300 H GLN B 27 14.957 27.393 46.299 1.00 0.00 H ATOM 1301 N SER B 28 15.634 25.704 49.737 1.00 10.79 N ATOM 1302 CA SER B 28 16.761 24.816 50.031 1.00 10.51 C ATOM 1303 C SER B 28 16.787 23.543 49.186 1.00 9.35 C ATOM 1304 O SER B 28 15.757 22.903 48.973 1.00 11.55 O ATOM 1305 CB SER B 28 16.751 24.433 51.512 1.00 13.04 C ATOM 1306 OG SER B 28 17.834 23.562 51.800 1.00 14.45 O ATOM 1307 HG SER B 28 17.816 23.322 52.760 1.00 0.00 H ATOM 1308 H SER B 28 14.965 25.945 50.496 1.00 0.00 H ATOM 1309 N VAL B 29 17.978 23.162 48.737 1.00 9.17 N ATOM 1310 CA VAL B 29 18.150 21.887 48.044 1.00 11.56 C ATOM 1311 C VAL B 29 18.849 20.868 48.949 1.00 11.16 C ATOM 1312 O VAL B 29 19.317 19.819 48.480 1.00 12.24 O ATOM 1313 CB VAL B 29 18.905 22.056 46.715 1.00 16.07 C ATOM 1314 CG1 VAL B 29 18.174 23.053 45.819 1.00 17.97 C ATOM 1315 CG2 VAL B 29 20.322 22.509 46.945 1.00 16.32 C ATOM 1316 H VAL B 29 18.801 23.781 48.881 1.00 0.00 H ATOM 1317 N ASP B 30 18.894 21.170 50.246 1.00 12.12 N ATOM 1318 CA ASP B 30 19.499 20.270 51.231 1.00 12.33 C ATOM 1319 C ASP B 30 18.525 19.215 51.726 1.00 13.62 C ATOM 1320 O ASP B 30 17.331 19.476 51.881 1.00 16.39 O ATOM 1321 CB ASP B 30 19.994 21.043 52.459 1.00 11.75 C ATOM 1322 CG ASP B 30 21.223 21.890 52.178 1.00 19.28 C ATOM 1323 OD1 ASP B 30 21.789 21.794 51.073 1.00 17.11 O ATOM 1324 OD2 ASP B 30 21.619 22.660 53.081 1.00 27.43 O ATOM 1325 H ASP B 30 18.488 22.071 50.569 1.00 0.00 H ATOM 1326 N HIS B 31 19.053 18.030 52.010 1.00 14.70 N ATOM 1327 CA HIS B 31 18.291 17.017 52.729 1.00 14.31 C ATOM 1328 C HIS B 31 19.238 16.046 53.416 1.00 17.24 C ATOM 1329 O HIS B 31 20.162 15.528 52.797 1.00 18.16 O ATOM 1330 CB HIS B 31 17.355 16.257 51.790 1.00 18.66 C ATOM 1331 CG HIS B 31 16.293 15.481 52.506 1.00 33.94 C ATOM 1332 ND1 HIS B 31 15.146 16.069 52.994 1.00 38.32 N ATOM 1333 CD2 HIS B 31 16.211 14.169 52.832 1.00 41.77 C ATOM 1334 CE1 HIS B 31 14.399 15.152 53.583 1.00 44.35 C ATOM 1335 NE2 HIS B 31 15.022 13.991 53.497 1.00 45.78 N ATOM 1336 H HIS B 31 20.028 17.821 51.714 1.00 0.00 H ATOM 1337 N ASP B 32 19.004 15.819 54.705 1.00 26.52 N ATOM 1338 CA ASP B 32 19.737 14.808 55.460 1.00 35.71 C ATOM 1339 C ASP B 32 21.254 14.999 55.381 1.00 26.69 C ATOM 1340 O ASP B 32 22.008 14.030 55.299 1.00 31.38 O ATOM 1341 CB ASP B 32 19.362 13.415 54.953 1.00 47.96 C ATOM 1342 CG ASP B 32 19.176 12.416 56.077 1.00 63.98 C ATOM 1343 OD1 ASP B 32 19.975 12.440 57.037 1.00 64.34 O ATOM 1344 OD2 ASP B 32 18.224 11.609 56.003 1.00 72.94 O ATOM 1345 H ASP B 32 18.275 16.380 55.191 1.00 0.00 H ATOM 1346 N GLY B 33 21.694 16.253 55.397 1.00 26.14 N ATOM 1347 CA GLY B 33 23.111 16.565 55.427 1.00 28.82 C ATOM 1348 C GLY B 33 23.780 16.689 54.067 1.00 26.99 C ATOM 1349 O GLY B 33 24.955 17.051 53.999 1.00 31.59 O ATOM 1350 H GLY B 33 21.004 17.031 55.388 1.00 0.00 H ATOM 1351 N ASP B 34 23.051 16.389 52.993 1.00 21.69 N ATOM 1352 CA ASP B 34 23.588 16.516 51.639 1.00 17.92 C ATOM 1353 C ASP B 34 22.858 17.604 50.867 1.00 16.32 C ATOM 1354 O ASP B 34 21.720 17.943 51.186 1.00 16.83 O ATOM 1355 CB ASP B 34 23.484 15.193 50.882 1.00 18.80 C ATOM 1356 CG ASP B 34 24.254 14.077 51.558 1.00 29.91 C ATOM 1357 OD1 ASP B 34 25.501 14.112 51.528 1.00 32.69 O ATOM 1358 OD2 ASP B 34 23.608 13.169 52.115 1.00 31.27 O ATOM 1359 H ASP B 34 22.074 16.056 53.121 1.00 0.00 H ATOM 1360 N SER B 35 23.529 18.142 49.854 1.00 12.13 N ATOM 1361 CA SER B 35 22.981 19.209 49.026 1.00 11.23 C ATOM 1362 C SER B 35 22.874 18.713 47.594 1.00 12.74 C ATOM 1363 O SER B 35 23.886 18.446 46.956 1.00 12.27 O ATOM 1364 CB SER B 35 23.896 20.437 49.076 1.00 15.30 C ATOM 1365 OG SER B 35 24.084 20.889 50.407 1.00 16.63 O ATOM 1366 HG SER B 35 23.208 21.133 50.798 1.00 0.00 H ATOM 1367 H SER B 35 24.484 17.787 49.644 1.00 0.00 H ATOM 1368 N TYR B 36 21.651 18.583 47.095 1.00 9.24 N ATOM 1369 CA TYR B 36 21.423 17.950 45.803 1.00 9.25 C ATOM 1370 C TYR B 36 21.480 18.943 44.649 1.00 9.48 C ATOM 1371 O TYR B 36 20.488 19.195 43.975 1.00 10.01 O ATOM 1372 CB TYR B 36 20.120 17.147 45.837 1.00 9.60 C ATOM 1373 CG TYR B 36 20.244 15.958 46.754 1.00 9.96 C ATOM 1374 CD1 TYR B 36 19.865 16.030 48.086 1.00 14.66 C ATOM 1375 CD2 TYR B 36 20.787 14.769 46.296 1.00 10.72 C ATOM 1376 CE1 TYR B 36 20.006 14.942 48.928 1.00 14.47 C ATOM 1377 CE2 TYR B 36 20.927 13.678 47.127 1.00 12.78 C ATOM 1378 CZ TYR B 36 20.533 13.770 48.439 1.00 13.17 C ATOM 1379 OH TYR B 36 20.680 12.683 49.275 1.00 17.78 O ATOM 1380 HH TYR B 36 20.159 11.921 48.918 1.00 0.00 H ATOM 1381 H TYR B 36 20.839 18.940 47.638 1.00 0.00 H ATOM 1382 N MET B 37 22.670 19.508 44.451 1.00 9.39 N ATOM 1383 CA MET B 37 22.950 20.397 43.336 1.00 9.69 C ATOM 1384 C MET B 37 24.013 19.789 42.433 1.00 8.20 C ATOM 1385 O MET B 37 25.096 19.403 42.884 1.00 10.05 O ATOM 1386 CB MET B 37 23.425 21.768 43.815 1.00 11.76 C ATOM 1387 CG MET B 37 23.464 22.819 42.688 1.00 15.41 C ATOM 1388 SD MET B 37 21.844 23.252 42.025 1.00 13.76 S ATOM 1389 CE MET B 37 21.291 24.429 43.258 1.00 12.65 C ATOM 1390 H MET B 37 23.434 19.303 45.126 1.00 0.00 H ATOM 1391 N ASN B 38 23.687 19.715 41.148 1.00 8.02 N ATOM 1392 CA ASN B 38 24.612 19.254 40.124 1.00 8.17 C ATOM 1393 C ASN B 38 25.032 20.404 39.221 1.00 7.46 C ATOM 1394 O ASN B 38 24.292 21.383 39.074 1.00 7.69 O ATOM 1395 CB ASN B 38 23.938 18.185 39.255 1.00 7.82 C ATOM 1396 CG ASN B 38 23.461 16.999 40.049 1.00 8.89 C ATOM 1397 OD1 ASN B 38 24.104 16.583 41.023 1.00 8.79 O ATOM 1398 ND2 ASN B 38 22.329 16.426 39.633 1.00 8.12 N ATOM 1399 HD22 ASN B 38 21.823 16.811 38.810 1.00 0.00 H ATOM 1400 HD21 ASN B 38 21.953 15.595 40.132 1.00 0.00 H ATOM 1401 H ASN B 38 22.729 19.999 40.861 1.00 0.00 H ATOM 1402 N TRP B 39 26.193 20.268 38.600 1.00 7.83 N ATOM 1403 CA TRP B 39 26.644 21.194 37.569 1.00 7.55 C ATOM 1404 C TRP B 39 26.948 20.434 36.298 1.00 8.84 C ATOM 1405 O TRP B 39 27.602 19.390 36.339 1.00 9.03 O ATOM 1406 CB TRP B 39 27.904 21.935 38.002 1.00 7.91 C ATOM 1407 CG TRP B 39 27.702 22.916 39.103 1.00 6.53 C ATOM 1408 CD1 TRP B 39 27.853 22.699 40.442 1.00 8.14 C ATOM 1409 CD2 TRP B 39 27.326 24.285 38.957 1.00 8.23 C ATOM 1410 NE1 TRP B 39 27.586 23.853 41.140 1.00 9.30 N ATOM 1411 CE2 TRP B 39 27.263 24.843 40.248 1.00 8.42 C ATOM 1412 CE3 TRP B 39 27.039 25.094 37.859 1.00 9.48 C ATOM 1413 CZ2 TRP B 39 26.941 26.170 40.466 1.00 7.92 C ATOM 1414 CZ3 TRP B 39 26.715 26.411 38.081 1.00 9.25 C ATOM 1415 CH2 TRP B 39 26.665 26.934 39.377 1.00 8.72 C ATOM 1416 HE1 TRP B 39 27.623 23.958 42.174 1.00 0.00 H ATOM 1417 H TRP B 39 26.807 19.469 38.858 1.00 0.00 H ATOM 1418 N PHE B 40 26.478 20.967 35.175 1.00 8.68 N ATOM 1419 CA PHE B 40 26.714 20.401 33.849 1.00 8.23 C ATOM 1420 C PHE B 40 27.418 21.393 32.938 1.00 7.87 C ATOM 1421 O PHE B 40 27.222 22.603 33.059 1.00 9.56 O ATOM 1422 CB PHE B 40 25.389 20.031 33.178 1.00 9.69 C ATOM 1423 CG PHE B 40 24.662 18.892 33.828 1.00 8.04 C ATOM 1424 CD1 PHE B 40 23.782 19.111 34.863 1.00 7.92 C ATOM 1425 CD2 PHE B 40 24.845 17.595 33.389 1.00 8.17 C ATOM 1426 CE1 PHE B 40 23.112 18.065 35.455 1.00 9.95 C ATOM 1427 CE2 PHE B 40 24.175 16.540 33.984 1.00 10.08 C ATOM 1428 CZ PHE B 40 23.307 16.778 35.014 1.00 9.25 C ATOM 1429 H PHE B 40 25.910 21.836 35.244 1.00 0.00 H ATOM 1430 N GLN B 41 28.215 20.869 32.014 1.00 7.53 N ATOM 1431 CA GLN B 41 28.817 21.626 30.925 1.00 10.10 C ATOM 1432 C GLN B 41 28.165 21.180 29.623 1.00 11.52 C ATOM 1433 O GLN B 41 27.984 19.981 29.419 1.00 11.41 O ATOM 1434 CB GLN B 41 30.307 21.308 30.848 1.00 9.52 C ATOM 1435 CG GLN B 41 31.078 22.074 29.804 1.00 12.01 C ATOM 1436 CD GLN B 41 32.461 21.505 29.611 1.00 13.35 C ATOM 1437 OE1 GLN B 41 32.611 20.364 29.168 1.00 13.43 O ATOM 1438 NE2 GLN B 41 33.485 22.286 29.955 1.00 13.01 N ATOM 1439 HE22 GLN B 41 33.309 23.242 30.324 1.00 0.00 H ATOM 1440 HE21 GLN B 41 34.460 21.939 29.854 1.00 0.00 H ATOM 1441 H GLN B 41 28.423 19.852 32.072 1.00 0.00 H ATOM 1442 N GLN B 42 27.813 22.118 28.748 1.00 8.64 N ATOM 1443 CA GLN B 42 27.300 21.754 27.428 1.00 10.47 C ATOM 1444 C GLN B 42 27.918 22.594 26.318 1.00 11.03 C ATOM 1445 O GLN B 42 27.955 23.824 26.395 1.00 11.61 O ATOM 1446 CB GLN B 42 25.781 21.900 27.383 1.00 9.75 C ATOM 1447 CG GLN B 42 25.149 21.387 26.094 1.00 10.94 C ATOM 1448 CD GLN B 42 23.641 21.549 26.086 1.00 10.60 C ATOM 1449 OE1 GLN B 42 23.104 22.520 26.625 1.00 12.77 O ATOM 1450 NE2 GLN B 42 22.949 20.597 25.469 1.00 12.17 N ATOM 1451 HE22 GLN B 42 23.445 19.796 25.028 1.00 0.00 H ATOM 1452 HE21 GLN B 42 21.911 20.653 25.427 1.00 0.00 H ATOM 1453 H GLN B 42 27.904 23.122 29.006 1.00 0.00 H ATOM 1454 N LYS B 43 28.387 21.911 25.280 1.00 13.23 N ATOM 1455 CA LYS B 43 28.893 22.560 24.077 1.00 12.74 C ATOM 1456 C LYS B 43 27.878 22.344 22.961 1.00 15.73 C ATOM 1457 O LYS B 43 27.145 21.356 22.980 1.00 14.47 O ATOM 1458 CB LYS B 43 30.255 21.986 23.705 1.00 15.20 C ATOM 1459 CG LYS B 43 31.287 22.179 24.802 1.00 16.28 C ATOM 1460 CD LYS B 43 32.662 21.733 24.373 1.00 17.42 C ATOM 1461 CE LYS B 43 33.661 21.944 25.497 1.00 17.62 C ATOM 1462 NZ LYS B 43 35.038 21.585 25.079 1.00 22.31 N ATOM 1463 HZ1 LYS B 43 35.064 20.584 24.800 1.00 0.00 H ATOM 1464 HZ2 LYS B 43 35.320 22.178 24.273 1.00 0.00 H ATOM 1465 HZ3 LYS B 43 35.692 21.742 25.872 1.00 0.00 H ATOM 1466 H LYS B 43 28.393 20.872 25.327 1.00 0.00 H ATOM 1467 N PRO B 44 27.816 23.274 21.997 1.00 17.03 N ATOM 1468 CA PRO B 44 26.769 23.193 20.971 1.00 20.32 C ATOM 1469 C PRO B 44 26.732 21.849 20.244 1.00 18.87 C ATOM 1470 O PRO B 44 27.771 21.309 19.862 1.00 22.29 O ATOM 1471 CB PRO B 44 27.137 24.326 20.010 1.00 22.17 C ATOM 1472 CG PRO B 44 27.877 25.303 20.855 1.00 25.19 C ATOM 1473 CD PRO B 44 28.653 24.478 21.836 1.00 20.99 C ATOM 1474 N GLY B 45 25.529 21.304 20.091 1.00 20.63 N ATOM 1475 CA GLY B 45 25.337 20.039 19.404 1.00 22.20 C ATOM 1476 C GLY B 45 25.634 18.812 20.248 1.00 23.94 C ATOM 1477 O GLY B 45 25.492 17.687 19.772 1.00 22.98 O ATOM 1478 H GLY B 45 24.699 21.799 20.475 1.00 0.00 H ATOM 1479 N GLN B 46 26.041 19.017 21.499 1.00 15.94 N ATOM 1480 CA GLN B 46 26.371 17.907 22.390 1.00 15.02 C ATOM 1481 C GLN B 46 25.436 17.869 23.584 1.00 11.47 C ATOM 1482 O GLN B 46 24.811 18.869 23.926 1.00 13.53 O ATOM 1483 CB GLN B 46 27.803 18.034 22.902 1.00 17.06 C ATOM 1484 CG GLN B 46 28.870 18.008 21.822 1.00 27.44 C ATOM 1485 CD GLN B 46 30.272 18.049 22.401 1.00 39.74 C ATOM 1486 OE1 GLN B 46 30.456 17.984 23.619 1.00 42.72 O ATOM 1487 NE2 GLN B 46 31.268 18.161 21.533 1.00 38.70 N ATOM 1488 HE22 GLN B 46 31.066 18.213 20.514 1.00 0.00 H ATOM 1489 HE21 GLN B 46 32.251 18.197 21.871 1.00 0.00 H ATOM 1490 H GLN B 46 26.126 19.992 21.851 1.00 0.00 H ATOM 1491 N SER B 47 25.353 16.711 24.227 1.00 13.63 N ATOM 1492 CA SER B 47 24.538 16.568 25.419 1.00 12.15 C ATOM 1493 C SER B 47 25.250 17.202 26.607 1.00 11.98 C ATOM 1494 O SER B 47 26.480 17.315 26.611 1.00 11.81 O ATOM 1495 CB SER B 47 24.273 15.091 25.711 1.00 16.20 C ATOM 1496 OG SER B 47 25.485 14.389 25.922 1.00 20.02 O ATOM 1497 HG SER B 47 25.286 13.437 26.109 1.00 0.00 H ATOM 1498 H SER B 47 25.882 15.890 23.870 1.00 0.00 H ATOM 1499 N PRO B 48 24.482 17.624 27.617 1.00 12.55 N ATOM 1500 CA PRO B 48 25.094 18.101 28.860 1.00 11.30 C ATOM 1501 C PRO B 48 25.986 17.022 29.469 1.00 11.38 C ATOM 1502 O PRO B 48 25.648 15.835 29.436 1.00 13.19 O ATOM 1503 CB PRO B 48 23.883 18.390 29.755 1.00 11.40 C ATOM 1504 CG PRO B 48 22.781 18.676 28.795 1.00 11.65 C ATOM 1505 CD PRO B 48 23.016 17.761 27.639 1.00 11.26 C ATOM 1506 N LYS B 49 27.122 17.451 30.007 1.00 10.27 N ATOM 1507 CA LYS B 49 28.101 16.572 30.620 1.00 9.17 C ATOM 1508 C LYS B 49 28.180 16.894 32.112 1.00 9.02 C ATOM 1509 O LYS B 49 28.473 18.028 32.494 1.00 9.86 O ATOM 1510 CB LYS B 49 29.462 16.792 29.955 1.00 11.81 C ATOM 1511 CG LYS B 49 30.599 16.046 30.620 1.00 19.02 C ATOM 1512 CD LYS B 49 31.946 16.400 29.999 1.00 30.98 C ATOM 1513 CE LYS B 49 32.050 15.897 28.571 1.00 36.64 C ATOM 1514 NZ LYS B 49 33.423 16.097 28.023 1.00 44.07 N ATOM 1515 HZ1 LYS B 49 33.655 17.111 28.035 1.00 0.00 H ATOM 1516 HZ2 LYS B 49 34.108 15.577 28.608 1.00 0.00 H ATOM 1517 HZ3 LYS B 49 33.460 15.743 27.046 1.00 0.00 H ATOM 1518 H LYS B 49 27.321 18.472 29.988 1.00 0.00 H ATOM 1519 N LEU B 50 27.910 15.911 32.957 1.00 8.62 N ATOM 1520 CA LEU B 50 27.966 16.115 34.402 1.00 8.20 C ATOM 1521 C LEU B 50 29.389 16.416 34.873 1.00 8.94 C ATOM 1522 O LEU B 50 30.309 15.644 34.609 1.00 9.31 O ATOM 1523 CB LEU B 50 27.445 14.872 35.133 1.00 7.99 C ATOM 1524 CG LEU B 50 27.404 14.958 36.662 1.00 8.37 C ATOM 1525 CD1 LEU B 50 26.377 15.976 37.132 1.00 10.33 C ATOM 1526 CD2 LEU B 50 27.128 13.588 37.277 1.00 9.90 C ATOM 1527 H LEU B 50 27.653 14.975 32.584 1.00 0.00 H ATOM 1528 N LEU B 51 29.558 17.519 35.596 1.00 8.41 N ATOM 1529 CA LEU B 51 30.858 17.926 36.141 1.00 8.95 C ATOM 1530 C LEU B 51 30.963 17.644 37.630 1.00 9.51 C ATOM 1531 O LEU B 51 31.971 17.122 38.100 1.00 9.37 O ATOM 1532 CB LEU B 51 31.065 19.425 35.959 1.00 9.33 C ATOM 1533 CG LEU B 51 31.009 19.993 34.548 1.00 11.11 C ATOM 1534 CD1 LEU B 51 31.024 21.511 34.637 1.00 13.39 C ATOM 1535 CD2 LEU B 51 32.155 19.468 33.702 1.00 13.24 C ATOM 1536 H LEU B 51 28.731 18.121 35.784 1.00 0.00 H ATOM 1537 N ILE B 52 29.921 18.029 38.354 1.00 8.37 N ATOM 1538 CA ILE B 52 29.885 18.013 39.810 1.00 9.08 C ATOM 1539 C ILE B 52 28.521 17.492 40.234 1.00 8.26 C ATOM 1540 O ILE B 52 27.505 17.911 39.667 1.00 9.00 O ATOM 1541 CB ILE B 52 30.025 19.440 40.408 1.00 8.97 C ATOM 1542 CG1 ILE B 52 31.343 20.109 39.996 1.00 11.45 C ATOM 1543 CG2 ILE B 52 29.870 19.422 41.937 1.00 10.24 C ATOM 1544 CD1 ILE B 52 32.583 19.512 40.632 1.00 11.50 C ATOM 1545 H ILE B 52 29.075 18.364 37.850 1.00 0.00 H ATOM 1546 N TYR B 53 28.483 16.610 41.229 1.00 8.44 N ATOM 1547 CA TYR B 53 27.216 16.175 41.810 1.00 7.08 C ATOM 1548 C TYR B 53 27.205 16.361 43.324 1.00 9.37 C ATOM 1549 O TYR B 53 28.254 16.394 43.979 1.00 10.09 O ATOM 1550 CB TYR B 53 26.880 14.719 41.438 1.00 10.27 C ATOM 1551 CG TYR B 53 27.891 13.718 41.940 1.00 9.34 C ATOM 1552 CD1 TYR B 53 29.018 13.414 41.197 1.00 9.41 C ATOM 1553 CD2 TYR B 53 27.726 13.091 43.164 1.00 9.10 C ATOM 1554 CE1 TYR B 53 29.952 12.514 41.656 1.00 10.23 C ATOM 1555 CE2 TYR B 53 28.657 12.189 43.637 1.00 8.94 C ATOM 1556 CZ TYR B 53 29.773 11.905 42.884 1.00 10.12 C ATOM 1557 OH TYR B 53 30.703 11.006 43.362 1.00 12.57 O ATOM 1558 HH TYR B 53 30.270 10.126 43.499 1.00 0.00 H ATOM 1559 H TYR B 53 29.374 16.222 41.601 1.00 0.00 H ATOM 1560 N ALA B 54 26.000 16.499 43.866 1.00 9.82 N ATOM 1561 CA ALA B 54 25.807 16.740 45.290 1.00 10.38 C ATOM 1562 C ALA B 54 26.719 17.864 45.801 1.00 10.58 C ATOM 1563 O ALA B 54 27.398 17.725 46.820 1.00 10.37 O ATOM 1564 CB ALA B 54 25.998 15.452 46.093 1.00 13.93 C ATOM 1565 H ALA B 54 25.164 16.433 43.251 1.00 0.00 H ATOM 1566 N ALA B 55 26.719 18.958 45.042 1.00 9.59 N ATOM 1567 CA ALA B 55 27.367 20.233 45.382 1.00 10.53 C ATOM 1568 C ALA B 55 28.887 20.272 45.220 1.00 10.10 C ATOM 1569 O ALA B 55 29.421 21.261 44.708 1.00 10.70 O ATOM 1570 CB ALA B 55 26.969 20.707 46.784 1.00 10.39 C ATOM 1571 H ALA B 55 26.218 18.906 44.132 1.00 0.00 H ATOM 1572 N SER B 56 29.582 19.220 45.643 1.00 10.18 N ATOM 1573 CA SER B 56 31.038 19.286 45.770 1.00 11.22 C ATOM 1574 C SER B 56 31.791 18.055 45.274 1.00 11.76 C ATOM 1575 O SER B 56 33.011 18.002 45.389 1.00 11.92 O ATOM 1576 CB SER B 56 31.411 19.520 47.233 1.00 15.11 C ATOM 1577 OG SER B 56 30.951 18.441 48.027 1.00 14.53 O ATOM 1578 HG SER B 56 31.197 18.600 48.973 1.00 0.00 H ATOM 1579 H SER B 56 29.084 18.340 45.886 1.00 0.00 H ATOM 1580 N ASN B 57 31.084 17.064 44.733 1.00 10.51 N ATOM 1581 CA ASN B 57 31.736 15.837 44.274 1.00 11.13 C ATOM 1582 C ASN B 57 32.102 15.913 42.807 1.00 10.41 C ATOM 1583 O ASN B 57 31.240 16.129 41.963 1.00 10.54 O ATOM 1584 CB ASN B 57 30.825 14.631 44.484 1.00 11.61 C ATOM 1585 CG ASN B 57 30.404 14.461 45.928 1.00 13.25 C ATOM 1586 OD1 ASN B 57 29.357 14.961 46.355 1.00 17.84 O ATOM 1587 ND2 ASN B 57 31.208 13.746 46.684 1.00 14.83 N ATOM 1588 HD22 ASN B 57 32.079 13.344 46.282 1.00 0.00 H ATOM 1589 HD21 ASN B 57 30.973 13.582 47.684 1.00 0.00 H ATOM 1590 H ASN B 57 30.053 17.164 44.635 1.00 0.00 H ATOM 1591 N LEU B 58 33.375 15.703 42.502 1.00 10.46 N ATOM 1592 CA LEU B 58 33.862 15.726 41.134 1.00 11.55 C ATOM 1593 C LEU B 58 33.503 14.428 40.429 1.00 11.11 C ATOM 1594 O LEU B 58 33.809 13.332 40.917 1.00 12.39 O ATOM 1595 CB LEU B 58 35.379 15.927 41.128 1.00 11.85 C ATOM 1596 CG LEU B 58 36.077 16.073 39.777 1.00 12.37 C ATOM 1597 CD1 LEU B 58 35.610 17.321 39.047 1.00 14.19 C ATOM 1598 CD2 LEU B 58 37.577 16.111 39.992 1.00 13.45 C ATOM 1599 H LEU B 58 34.050 15.515 43.271 1.00 0.00 H ATOM 1600 N GLU B 59 32.860 14.550 39.277 1.00 10.93 N ATOM 1601 CA GLU B 59 32.450 13.382 38.518 1.00 11.37 C ATOM 1602 C GLU B 59 33.661 12.696 37.901 1.00 13.04 C ATOM 1603 O GLU B 59 34.604 13.351 37.454 1.00 11.89 O ATOM 1604 CB GLU B 59 31.439 13.784 37.438 1.00 11.35 C ATOM 1605 CG GLU B 59 31.102 12.718 36.385 1.00 13.65 C ATOM 1606 CD GLU B 59 30.409 11.487 36.942 1.00 12.85 C ATOM 1607 OE1 GLU B 59 30.355 11.312 38.173 1.00 16.82 O ATOM 1608 OE2 GLU B 59 29.907 10.682 36.126 1.00 19.31 O ATOM 1609 H GLU B 59 32.645 15.499 38.910 1.00 0.00 H ATOM 1610 N SER B 60 33.640 11.368 37.890 1.00 12.44 N ATOM 1611 CA SER B 60 34.692 10.592 37.251 1.00 16.61 C ATOM 1612 C SER B 60 34.921 11.092 35.829 1.00 13.68 C ATOM 1613 O SER B 60 33.968 11.345 35.097 1.00 14.29 O ATOM 1614 CB SER B 60 34.302 9.117 37.218 1.00 20.82 C ATOM 1615 OG SER B 60 35.325 8.342 36.621 1.00 27.08 O ATOM 1616 HG SER B 60 35.476 8.654 35.694 1.00 0.00 H ATOM 1617 H SER B 60 32.851 10.870 38.350 1.00 0.00 H ATOM 1618 N GLY B 61 36.185 11.260 35.452 1.00 17.18 N ATOM 1619 CA GLY B 61 36.526 11.663 34.098 1.00 16.16 C ATOM 1620 C GLY B 61 36.577 13.163 33.881 1.00 13.79 C ATOM 1621 O GLY B 61 36.912 13.620 32.786 1.00 18.87 O ATOM 1622 H GLY B 61 36.947 11.099 36.142 1.00 0.00 H ATOM 1623 N ILE B 62 36.250 13.926 34.920 1.00 13.17 N ATOM 1624 CA ILE B 62 36.272 15.382 34.852 1.00 13.41 C ATOM 1625 C ILE B 62 37.525 15.924 35.558 1.00 10.18 C ATOM 1626 O ILE B 62 37.849 15.472 36.654 1.00 13.58 O ATOM 1627 CB ILE B 62 35.000 15.967 35.501 1.00 11.05 C ATOM 1628 CG1 ILE B 62 33.748 15.377 34.837 1.00 12.45 C ATOM 1629 CG2 ILE B 62 35.005 17.507 35.443 1.00 10.95 C ATOM 1630 CD1 ILE B 62 33.638 15.641 33.339 1.00 11.74 C ATOM 1631 H ILE B 62 35.969 13.469 35.811 1.00 0.00 H ATOM 1632 N PRO B 63 38.240 16.879 34.932 1.00 12.47 N ATOM 1633 CA PRO B 63 39.471 17.401 35.540 1.00 14.12 C ATOM 1634 C PRO B 63 39.245 18.126 36.857 1.00 12.31 C ATOM 1635 O PRO B 63 38.209 18.760 37.062 1.00 11.85 O ATOM 1636 CB PRO B 63 39.988 18.396 34.496 1.00 17.70 C ATOM 1637 CG PRO B 63 39.383 17.978 33.225 1.00 20.61 C ATOM 1638 CD PRO B 63 38.041 17.413 33.573 1.00 14.22 C ATOM 1639 N ALA B 64 40.247 18.060 37.727 1.00 15.39 N ATOM 1640 CA ALA B 64 40.166 18.642 39.061 1.00 14.03 C ATOM 1641 C ALA B 64 40.222 20.164 39.033 1.00 15.41 C ATOM 1642 O ALA B 64 40.092 20.808 40.077 1.00 16.42 O ATOM 1643 CB ALA B 64 41.280 18.088 39.934 1.00 17.54 C ATOM 1644 H ALA B 64 41.123 17.575 37.445 1.00 0.00 H ATOM 1645 N ARG B 65 40.413 20.732 37.845 1.00 13.31 N ATOM 1646 CA ARG B 65 40.271 22.175 37.649 1.00 12.74 C ATOM 1647 C ARG B 65 38.864 22.646 38.018 1.00 12.69 C ATOM 1648 O ARG B 65 38.673 23.803 38.371 1.00 13.33 O ATOM 1649 CB ARG B 65 40.573 22.560 36.199 1.00 12.04 C ATOM 1650 CG ARG B 65 41.975 22.172 35.727 1.00 14.82 C ATOM 1651 CD ARG B 65 42.290 22.724 34.345 1.00 15.17 C ATOM 1652 NE ARG B 65 41.419 22.159 33.314 1.00 16.32 N ATOM 1653 CZ ARG B 65 40.372 22.780 32.776 1.00 14.96 C ATOM 1654 NH1 ARG B 65 40.016 23.993 33.170 1.00 14.86 N ATOM 1655 NH2 ARG B 65 39.650 22.171 31.845 1.00 14.76 N ATOM 1656 HE ARG B 65 41.634 21.199 32.976 1.00 0.00 H ATOM 1657 HH12 ARG B 65 39.194 24.460 32.736 1.00 0.00 H ATOM 1658 HH11 ARG B 65 40.558 24.478 33.913 1.00 0.00 H ATOM 1659 HH22 ARG B 65 38.831 22.654 31.423 1.00 0.00 H ATOM 1660 HH21 ARG B 65 39.902 21.210 31.537 1.00 0.00 H ATOM 1661 H ARG B 65 40.670 20.134 37.034 1.00 0.00 H ATOM 1662 N PHE B 66 37.882 21.752 37.920 1.00 10.21 N ATOM 1663 CA PHE B 66 36.504 22.057 38.315 1.00 9.78 C ATOM 1664 C PHE B 66 36.256 21.649 39.757 1.00 10.87 C ATOM 1665 O PHE B 66 36.616 20.536 40.161 1.00 11.47 O ATOM 1666 CB PHE B 66 35.496 21.329 37.414 1.00 10.25 C ATOM 1667 CG PHE B 66 35.565 21.743 35.981 1.00 9.08 C ATOM 1668 CD1 PHE B 66 34.835 22.829 35.527 1.00 11.41 C ATOM 1669 CD2 PHE B 66 36.352 21.047 35.080 1.00 12.95 C ATOM 1670 CE1 PHE B 66 34.904 23.221 34.203 1.00 11.07 C ATOM 1671 CE2 PHE B 66 36.428 21.437 33.759 1.00 13.51 C ATOM 1672 CZ PHE B 66 35.695 22.526 33.319 1.00 12.65 C ATOM 1673 H PHE B 66 38.100 20.805 37.550 1.00 0.00 H ATOM 1674 N SER B 67 35.655 22.545 40.532 1.00 11.21 N ATOM 1675 CA SER B 67 35.188 22.196 41.868 1.00 9.28 C ATOM 1676 C SER B 67 33.895 22.925 42.188 1.00 10.04 C ATOM 1677 O SER B 67 33.598 23.968 41.603 1.00 10.95 O ATOM 1678 CB SER B 67 36.243 22.507 42.930 1.00 13.57 C ATOM 1679 OG SER B 67 36.582 23.881 42.928 1.00 14.17 O ATOM 1680 HG SER B 67 36.944 24.129 42.041 1.00 0.00 H ATOM 1681 H SER B 67 35.515 23.513 40.179 1.00 0.00 H ATOM 1682 N GLY B 68 33.124 22.360 43.106 1.00 10.62 N ATOM 1683 CA GLY B 68 31.883 22.958 43.546 1.00 10.80 C ATOM 1684 C GLY B 68 31.882 23.228 45.033 1.00 11.09 C ATOM 1685 O GLY B 68 32.529 22.513 45.803 1.00 10.96 O ATOM 1686 H GLY B 68 33.422 21.456 43.524 1.00 0.00 H ATOM 1687 N SER B 69 31.155 24.269 45.431 1.00 11.07 N ATOM 1688 CA SER B 69 30.986 24.631 46.831 1.00 9.81 C ATOM 1689 C SER B 69 29.551 25.063 47.091 1.00 10.37 C ATOM 1690 O SER B 69 28.790 25.341 46.158 1.00 9.04 O ATOM 1691 CB SER B 69 31.906 25.790 47.197 1.00 12.83 C ATOM 1692 OG SER B 69 33.262 25.432 47.059 1.00 18.94 O ATOM 1693 HG SER B 69 33.832 26.203 47.303 1.00 0.00 H ATOM 1694 H SER B 69 30.686 24.851 44.708 1.00 0.00 H ATOM 1695 N GLY B 70 29.193 25.137 48.368 1.00 9.28 N ATOM 1696 CA GLY B 70 27.916 25.680 48.788 1.00 8.43 C ATOM 1697 C GLY B 70 26.977 24.699 49.459 1.00 13.48 C ATOM 1698 O GLY B 70 27.226 23.492 49.511 1.00 15.26 O ATOM 1699 H GLY B 70 29.853 24.793 49.094 1.00 0.00 H ATOM 1700 N SER B 71 25.882 25.238 49.984 1.00 10.54 N ATOM 1701 CA SER B 71 24.833 24.446 50.607 1.00 10.93 C ATOM 1702 C SER B 71 23.587 25.317 50.723 1.00 11.24 C ATOM 1703 O SER B 71 23.647 26.537 50.534 1.00 13.90 O ATOM 1704 CB SER B 71 25.263 23.964 51.989 1.00 17.06 C ATOM 1705 OG SER B 71 25.337 25.049 52.891 1.00 22.04 O ATOM 1706 HG SER B 71 24.448 25.479 52.962 1.00 0.00 H ATOM 1707 H SER B 71 25.770 26.271 49.948 1.00 0.00 H ATOM 1708 N GLY B 72 22.462 24.680 51.032 1.00 13.76 N ATOM 1709 CA GLY B 72 21.219 25.396 51.259 1.00 12.64 C ATOM 1710 C GLY B 72 20.677 25.953 49.959 1.00 9.75 C ATOM 1711 O GLY B 72 20.151 25.201 49.135 1.00 12.17 O ATOM 1712 H GLY B 72 22.472 23.643 51.113 1.00 0.00 H ATOM 1713 N THR B 73 20.823 27.264 49.767 1.00 10.62 N ATOM 1714 CA THR B 73 20.332 27.924 48.562 1.00 10.45 C ATOM 1715 C THR B 73 21.438 28.486 47.674 1.00 12.31 C ATOM 1716 O THR B 73 21.163 28.881 46.550 1.00 14.78 O ATOM 1717 CB THR B 73 19.369 29.075 48.900 1.00 11.48 C ATOM 1718 OG1 THR B 73 20.027 30.005 49.768 1.00 12.06 O ATOM 1719 CG2 THR B 73 18.106 28.551 49.567 1.00 10.53 C ATOM 1720 HG1 THR B 73 20.830 30.366 49.315 1.00 0.00 H ATOM 1721 H THR B 73 21.300 27.832 50.496 1.00 0.00 H ATOM 1722 N ASP B 74 22.676 28.519 48.156 1.00 11.07 N ATOM 1723 CA ASP B 74 23.744 29.231 47.451 1.00 10.53 C ATOM 1724 C ASP B 74 24.896 28.304 47.076 1.00 10.04 C ATOM 1725 O ASP B 74 25.512 27.691 47.943 1.00 10.48 O ATOM 1726 CB ASP B 74 24.258 30.391 48.314 1.00 12.50 C ATOM 1727 CG ASP B 74 23.237 31.520 48.469 1.00 21.95 C ATOM 1728 OD1 ASP B 74 22.044 31.321 48.161 1.00 24.95 O ATOM 1729 OD2 ASP B 74 23.639 32.616 48.917 1.00 26.00 O ATOM 1730 H ASP B 74 22.890 28.031 49.049 1.00 0.00 H ATOM 1731 N PHE B 75 25.178 28.222 45.776 1.00 8.86 N ATOM 1732 CA PHE B 75 26.166 27.299 45.240 1.00 9.30 C ATOM 1733 C PHE B 75 27.066 27.977 44.231 1.00 7.88 C ATOM 1734 O PHE B 75 26.664 28.922 43.566 1.00 8.50 O ATOM 1735 CB PHE B 75 25.450 26.101 44.609 1.00 9.13 C ATOM 1736 CG PHE B 75 24.632 25.336 45.595 1.00 8.98 C ATOM 1737 CD1 PHE B 75 23.331 25.707 45.864 1.00 9.29 C ATOM 1738 CD2 PHE B 75 25.191 24.285 46.309 1.00 9.21 C ATOM 1739 CE1 PHE B 75 22.588 25.017 46.803 1.00 11.95 C ATOM 1740 CE2 PHE B 75 24.450 23.600 47.250 1.00 12.00 C ATOM 1741 CZ PHE B 75 23.152 23.975 47.500 1.00 11.56 C ATOM 1742 H PHE B 75 24.670 28.845 45.116 1.00 0.00 H ATOM 1743 N THR B 76 28.287 27.473 44.120 1.00 7.78 N ATOM 1744 CA THR B 76 29.245 27.991 43.156 1.00 9.46 C ATOM 1745 C THR B 76 30.024 26.887 42.463 1.00 9.58 C ATOM 1746 O THR B 76 30.348 25.858 43.063 1.00 10.94 O ATOM 1747 CB THR B 76 30.258 28.957 43.806 1.00 10.47 C ATOM 1748 OG1 THR B 76 30.862 28.332 44.939 1.00 10.33 O ATOM 1749 CG2 THR B 76 29.574 30.243 44.237 1.00 11.54 C ATOM 1750 HG1 THR B 76 31.331 27.510 44.650 1.00 0.00 H ATOM 1751 H THR B 76 28.568 26.686 44.739 1.00 0.00 H ATOM 1752 N LEU B 77 30.298 27.112 41.186 1.00 7.64 N ATOM 1753 CA LEU B 77 31.221 26.296 40.416 1.00 7.73 C ATOM 1754 C LEU B 77 32.474 27.126 40.167 1.00 9.04 C ATOM 1755 O LEU B 77 32.378 28.269 39.729 1.00 9.61 O ATOM 1756 CB LEU B 77 30.596 25.885 39.077 1.00 8.01 C ATOM 1757 CG LEU B 77 31.510 25.092 38.130 1.00 8.95 C ATOM 1758 CD1 LEU B 77 31.724 23.677 38.630 1.00 10.93 C ATOM 1759 CD2 LEU B 77 30.937 25.078 36.712 1.00 10.01 C ATOM 1760 H LEU B 77 29.830 27.911 40.712 1.00 0.00 H ATOM 1761 N ASN B 78 33.637 26.554 40.463 1.00 8.65 N ATOM 1762 CA ASN B 78 34.910 27.247 40.287 1.00 9.07 C ATOM 1763 C ASN B 78 35.731 26.507 39.241 1.00 9.36 C ATOM 1764 O ASN B 78 35.768 25.281 39.240 1.00 10.23 O ATOM 1765 CB ASN B 78 35.659 27.317 41.622 1.00 10.06 C ATOM 1766 CG ASN B 78 36.980 28.069 41.526 1.00 11.70 C ATOM 1767 OD1 ASN B 78 38.005 27.498 41.191 1.00 13.09 O ATOM 1768 ND2 ASN B 78 36.959 29.348 41.855 1.00 14.58 N ATOM 1769 HD22 ASN B 78 36.064 29.798 42.135 1.00 0.00 H ATOM 1770 HD21 ASN B 78 37.837 29.905 41.834 1.00 0.00 H ATOM 1771 H ASN B 78 33.640 25.582 40.832 1.00 0.00 H ATOM 1772 N ILE B 79 36.350 27.258 38.336 1.00 9.76 N ATOM 1773 CA ILE B 79 37.226 26.701 37.313 1.00 10.17 C ATOM 1774 C ILE B 79 38.600 27.326 37.506 1.00 10.90 C ATOM 1775 O ILE B 79 38.735 28.550 37.492 1.00 11.50 O ATOM 1776 CB ILE B 79 36.711 27.013 35.903 1.00 10.20 C ATOM 1777 CG1 ILE B 79 35.235 26.612 35.776 1.00 10.51 C ATOM 1778 CG2 ILE B 79 37.570 26.302 34.870 1.00 13.56 C ATOM 1779 CD1 ILE B 79 34.606 27.003 34.459 1.00 12.03 C ATOM 1780 H ILE B 79 36.203 28.287 38.359 1.00 0.00 H ATOM 1781 N HIS B 80 39.617 26.485 37.692 1.00 11.28 N ATOM 1782 CA HIS B 80 40.934 26.945 38.135 1.00 13.07 C ATOM 1783 C HIS B 80 42.042 26.015 37.633 1.00 13.48 C ATOM 1784 O HIS B 80 42.183 24.901 38.133 1.00 16.10 O ATOM 1785 CB HIS B 80 40.956 26.997 39.666 1.00 13.06 C ATOM 1786 CG HIS B 80 42.288 27.352 40.252 1.00 18.40 C ATOM 1787 ND1 HIS B 80 42.651 26.989 41.532 1.00 28.32 N ATOM 1788 CD2 HIS B 80 43.333 28.053 39.750 1.00 15.08 C ATOM 1789 CE1 HIS B 80 43.869 27.434 41.786 1.00 26.72 C ATOM 1790 NE2 HIS B 80 44.308 28.079 40.720 1.00 19.12 N ATOM 1791 H HIS B 80 39.470 25.470 37.517 1.00 0.00 H ATOM 1792 N PRO B 81 42.812 26.447 36.617 1.00 13.72 N ATOM 1793 CA PRO B 81 42.661 27.638 35.773 1.00 18.38 C ATOM 1794 C PRO B 81 41.705 27.379 34.621 1.00 17.79 C ATOM 1795 O PRO B 81 41.466 26.220 34.278 1.00 16.45 O ATOM 1796 CB PRO B 81 44.066 27.836 35.213 1.00 19.02 C ATOM 1797 CG PRO B 81 44.604 26.461 35.108 1.00 18.73 C ATOM 1798 CD PRO B 81 44.035 25.700 36.274 1.00 16.20 C ATOM 1799 N VAL B 82 41.183 28.443 34.021 1.00 15.89 N ATOM 1800 CA VAL B 82 40.382 28.324 32.814 1.00 14.31 C ATOM 1801 C VAL B 82 41.299 27.979 31.636 1.00 14.20 C ATOM 1802 O VAL B 82 42.388 28.534 31.488 1.00 15.55 O ATOM 1803 CB VAL B 82 39.603 29.637 32.540 1.00 19.82 C ATOM 1804 CG1 VAL B 82 38.920 29.614 31.173 1.00 24.18 C ATOM 1805 CG2 VAL B 82 38.570 29.884 33.641 1.00 16.85 C ATOM 1806 H VAL B 82 41.352 29.386 34.426 1.00 0.00 H ATOM 1807 N GLU B 83 40.842 27.032 30.820 1.00 14.32 N ATOM 1808 CA GLU B 83 41.544 26.621 29.610 1.00 17.08 C ATOM 1809 C GLU B 83 40.635 26.810 28.399 1.00 14.49 C ATOM 1810 O GLU B 83 39.424 26.955 28.541 1.00 15.30 O ATOM 1811 CB GLU B 83 41.971 25.153 29.715 1.00 17.71 C ATOM 1812 CG GLU B 83 42.854 24.833 30.920 1.00 23.21 C ATOM 1813 CD GLU B 83 44.253 25.435 30.833 1.00 33.75 C ATOM 1814 OE1 GLU B 83 44.628 25.961 29.765 1.00 29.71 O ATOM 1815 OE2 GLU B 83 44.983 25.379 31.846 1.00 39.30 O ATOM 1816 H GLU B 83 39.944 26.564 31.056 1.00 0.00 H ATOM 1817 N GLU B 84 41.224 26.796 27.207 1.00 16.72 N ATOM 1818 CA GLU B 84 40.483 27.076 25.975 1.00 19.17 C ATOM 1819 C GLU B 84 39.266 26.174 25.790 1.00 22.87 C ATOM 1820 O GLU B 84 38.206 26.618 25.338 1.00 19.46 O ATOM 1821 CB GLU B 84 41.408 26.919 24.767 1.00 24.75 C ATOM 1822 CG GLU B 84 40.873 27.538 23.485 1.00 42.43 C ATOM 1823 CD GLU B 84 40.979 29.051 23.483 1.00 54.33 C ATOM 1824 OE1 GLU B 84 41.828 29.589 24.227 1.00 58.27 O ATOM 1825 OE2 GLU B 84 40.215 29.704 22.739 1.00 57.00 O ATOM 1826 H GLU B 84 42.240 26.580 27.148 1.00 0.00 H ATOM 1827 N GLU B 85 39.417 24.905 26.150 1.00 15.97 N ATOM 1828 CA GLU B 85 38.356 23.926 25.961 1.00 14.86 C ATOM 1829 C GLU B 85 37.160 24.157 26.888 1.00 15.85 C ATOM 1830 O GLU B 85 36.161 23.456 26.791 1.00 16.02 O ATOM 1831 CB GLU B 85 38.904 22.505 26.144 1.00 15.71 C ATOM 1832 CG GLU B 85 39.445 22.194 27.538 1.00 18.86 C ATOM 1833 CD GLU B 85 40.955 22.387 27.659 1.00 26.05 C ATOM 1834 OE1 GLU B 85 41.545 23.190 26.897 1.00 23.70 O ATOM 1835 OE2 GLU B 85 41.558 21.726 28.531 1.00 31.28 O ATOM 1836 H GLU B 85 40.316 24.603 26.578 1.00 0.00 H ATOM 1837 N ASP B 86 37.256 25.135 27.786 1.00 14.10 N ATOM 1838 CA ASP B 86 36.195 25.369 28.763 1.00 13.85 C ATOM 1839 C ASP B 86 35.072 26.240 28.210 1.00 13.03 C ATOM 1840 O ASP B 86 34.042 26.410 28.866 1.00 14.53 O ATOM 1841 CB ASP B 86 36.760 26.020 30.026 1.00 15.12 C ATOM 1842 CG ASP B 86 37.696 25.106 30.791 1.00 16.53 C ATOM 1843 OD1 ASP B 86 37.644 23.872 30.603 1.00 15.60 O ATOM 1844 OD2 ASP B 86 38.481 25.633 31.606 1.00 13.56 O ATOM 1845 H ASP B 86 38.100 25.743 27.792 1.00 0.00 H ATOM 1846 N ALA B 87 35.261 26.779 27.011 1.00 13.11 N ATOM 1847 CA ALA B 87 34.217 27.566 26.366 1.00 13.45 C ATOM 1848 C ALA B 87 33.003 26.668 26.176 1.00 12.74 C ATOM 1849 O ALA B 87 33.083 25.631 25.514 1.00 16.29 O ATOM 1850 CB ALA B 87 34.697 28.116 25.039 1.00 17.36 C ATOM 1851 H ALA B 87 36.169 26.637 26.524 1.00 0.00 H ATOM 1852 N ALA B 88 31.893 27.054 26.795 1.00 11.59 N ATOM 1853 CA ALA B 88 30.711 26.210 26.878 1.00 12.93 C ATOM 1854 C ALA B 88 29.645 26.948 27.658 1.00 11.93 C ATOM 1855 O ALA B 88 29.899 28.017 28.205 1.00 12.84 O ATOM 1856 CB ALA B 88 31.036 24.913 27.588 1.00 12.12 C ATOM 1857 H ALA B 88 31.868 27.995 27.237 1.00 0.00 H ATOM 1858 N THR B 89 28.454 26.364 27.719 1.00 12.16 N ATOM 1859 CA THR B 89 27.429 26.832 28.638 1.00 11.88 C ATOM 1860 C THR B 89 27.345 25.884 29.826 1.00 12.37 C ATOM 1861 O THR B 89 27.358 24.656 29.671 1.00 13.38 O ATOM 1862 CB THR B 89 26.060 26.963 27.947 1.00 11.27 C ATOM 1863 OG1 THR B 89 26.150 27.972 26.935 1.00 15.94 O ATOM 1864 CG2 THR B 89 24.974 27.366 28.938 1.00 11.81 C ATOM 1865 HG1 THR B 89 26.838 27.712 26.272 1.00 0.00 H ATOM 1866 H THR B 89 28.250 25.556 27.097 1.00 0.00 H ATOM 1867 N TYR B 90 27.266 26.473 31.014 1.00 9.69 N ATOM 1868 CA TYR B 90 27.223 25.736 32.265 1.00 8.10 C ATOM 1869 C TYR B 90 25.855 25.885 32.913 1.00 9.64 C ATOM 1870 O TYR B 90 25.309 26.984 32.960 1.00 9.88 O ATOM 1871 CB TYR B 90 28.330 26.241 33.201 1.00 9.91 C ATOM 1872 CG TYR B 90 29.699 25.948 32.641 1.00 11.38 C ATOM 1873 CD1 TYR B 90 30.398 24.820 33.038 1.00 9.92 C ATOM 1874 CD2 TYR B 90 30.278 26.773 31.683 1.00 11.49 C ATOM 1875 CE1 TYR B 90 31.632 24.528 32.513 1.00 9.96 C ATOM 1876 CE2 TYR B 90 31.520 26.478 31.148 1.00 10.74 C ATOM 1877 CZ TYR B 90 32.189 25.352 31.570 1.00 11.00 C ATOM 1878 OH TYR B 90 33.418 25.031 31.046 1.00 12.79 O ATOM 1879 HH TYR B 90 33.335 24.902 30.068 1.00 0.00 H ATOM 1880 H TYR B 90 27.233 27.512 31.050 1.00 0.00 H ATOM 1881 N TYR B 91 25.304 24.770 33.388 1.00 7.59 N ATOM 1882 CA TYR B 91 23.997 24.737 34.027 1.00 8.49 C ATOM 1883 C TYR B 91 24.095 24.114 35.395 1.00 7.49 C ATOM 1884 O TYR B 91 24.772 23.091 35.571 1.00 8.47 O ATOM 1885 CB TYR B 91 23.023 23.859 33.233 1.00 9.02 C ATOM 1886 CG TYR B 91 22.716 24.348 31.846 1.00 8.57 C ATOM 1887 CD1 TYR B 91 21.697 25.265 31.624 1.00 10.21 C ATOM 1888 CD2 TYR B 91 23.448 23.910 30.757 1.00 11.01 C ATOM 1889 CE1 TYR B 91 21.413 25.724 30.353 1.00 10.07 C ATOM 1890 CE2 TYR B 91 23.171 24.363 29.480 1.00 13.35 C ATOM 1891 CZ TYR B 91 22.153 25.276 29.286 1.00 10.69 C ATOM 1892 OH TYR B 91 21.863 25.737 28.017 1.00 14.06 O ATOM 1893 HH TYR B 91 21.111 26.380 28.064 1.00 0.00 H ATOM 1894 H TYR B 91 25.833 23.879 33.298 1.00 0.00 H ATOM 1895 N CYS B 92 23.400 24.701 36.356 1.00 7.85 N ATOM 1896 CA CYS B 92 23.135 24.012 37.608 1.00 6.78 C ATOM 1897 C CYS B 92 21.781 23.302 37.520 1.00 7.84 C ATOM 1898 O CYS B 92 20.923 23.685 36.719 1.00 7.56 O ATOM 1899 CB CYS B 92 23.191 24.982 38.791 1.00 9.16 C ATOM 1900 SG CYS B 92 22.090 26.399 38.653 1.00 10.17 S ATOM 1901 H CYS B 92 23.039 25.666 36.214 1.00 0.00 H ATOM 1902 N GLN B 93 21.620 22.263 38.334 1.00 7.61 N ATOM 1903 CA GLN B 93 20.398 21.464 38.389 1.00 8.29 C ATOM 1904 C GLN B 93 20.205 20.972 39.810 1.00 7.89 C ATOM 1905 O GLN B 93 21.139 20.430 40.399 1.00 8.81 O ATOM 1906 CB GLN B 93 20.506 20.248 37.469 1.00 8.71 C ATOM 1907 CG GLN B 93 19.226 19.408 37.431 1.00 8.92 C ATOM 1908 CD GLN B 93 19.462 17.944 37.136 1.00 8.31 C ATOM 1909 OE1 GLN B 93 20.497 17.372 37.484 1.00 8.41 O ATOM 1910 NE2 GLN B 93 18.484 17.315 36.496 1.00 10.27 N ATOM 1911 HE22 GLN B 93 17.626 17.833 36.219 1.00 0.00 H ATOM 1912 HE21 GLN B 93 18.576 16.304 36.271 1.00 0.00 H ATOM 1913 H GLN B 93 22.406 22.005 38.965 1.00 0.00 H ATOM 1914 N GLN B 94 19.000 21.138 40.355 1.00 8.02 N ATOM 1915 CA GLN B 94 18.670 20.567 41.656 1.00 7.60 C ATOM 1916 C GLN B 94 17.827 19.310 41.486 1.00 7.91 C ATOM 1917 O GLN B 94 16.924 19.257 40.650 1.00 8.94 O ATOM 1918 CB GLN B 94 17.981 21.584 42.580 1.00 8.06 C ATOM 1919 CG GLN B 94 16.551 21.963 42.231 1.00 8.81 C ATOM 1920 CD GLN B 94 15.509 20.936 42.676 1.00 10.20 C ATOM 1921 OE1 GLN B 94 15.713 20.188 43.640 1.00 9.73 O ATOM 1922 NE2 GLN B 94 14.378 20.910 41.978 1.00 9.49 N ATOM 1923 HE22 GLN B 94 14.248 21.557 41.174 1.00 0.00 H ATOM 1924 HE21 GLN B 94 13.623 20.243 42.236 1.00 0.00 H ATOM 1925 H GLN B 94 18.280 21.686 39.842 1.00 0.00 H ATOM 1926 N THR B 95 18.139 18.305 42.293 1.00 7.50 N ATOM 1927 CA THR B 95 17.434 17.026 42.277 1.00 8.26 C ATOM 1928 C THR B 95 16.939 16.654 43.678 1.00 9.82 C ATOM 1929 O THR B 95 16.749 15.475 43.990 1.00 12.26 O ATOM 1930 CB THR B 95 18.352 15.920 41.750 1.00 7.61 C ATOM 1931 OG1 THR B 95 19.520 15.849 42.570 1.00 10.47 O ATOM 1932 CG2 THR B 95 18.751 16.193 40.323 1.00 6.96 C ATOM 1933 HG1 THR B 95 20.116 15.135 42.232 1.00 0.00 H ATOM 1934 H THR B 95 18.920 18.433 42.967 1.00 0.00 H ATOM 1935 N ASN B 96 16.711 17.672 44.505 1.00 9.00 N ATOM 1936 CA ASN B 96 16.203 17.501 45.864 1.00 9.46 C ATOM 1937 C ASN B 96 14.695 17.326 45.905 1.00 14.99 C ATOM 1938 O ASN B 96 14.183 16.537 46.699 1.00 16.25 O ATOM 1939 CB ASN B 96 16.564 18.707 46.732 1.00 10.64 C ATOM 1940 CG ASN B 96 16.174 18.514 48.181 1.00 15.23 C ATOM 1941 OD1 ASN B 96 16.457 17.475 48.773 1.00 17.03 O ATOM 1942 ND2 ASN B 96 15.522 19.514 48.762 1.00 18.75 N ATOM 1943 HD22 ASN B 96 15.303 20.376 48.222 1.00 0.00 H ATOM 1944 HD21 ASN B 96 15.230 19.436 49.757 1.00 0.00 H ATOM 1945 H ASN B 96 16.904 18.636 44.167 1.00 0.00 H ATOM 1946 N GLU B 97 13.987 18.086 45.071 1.00 10.79 N ATOM 1947 CA GLU B 97 12.525 18.103 45.079 1.00 12.55 C ATOM 1948 C GLU B 97 11.993 17.976 43.666 1.00 9.02 C ATOM 1949 O GLU B 97 12.553 18.545 42.730 1.00 12.61 O ATOM 1950 CB GLU B 97 12.002 19.407 45.694 1.00 14.65 C ATOM 1951 CG GLU B 97 10.478 19.481 45.797 1.00 24.99 C ATOM 1952 CD GLU B 97 9.948 20.897 45.989 1.00 28.48 C ATOM 1953 OE1 GLU B 97 9.531 21.232 47.116 1.00 21.34 O ATOM 1954 OE2 GLU B 97 9.919 21.667 45.006 1.00 23.24 O ATOM 1955 H GLU B 97 14.492 18.689 44.390 1.00 0.00 H ATOM 1956 N ASP B 98 10.906 17.231 43.512 1.00 9.71 N ATOM 1957 CA ASP B 98 10.259 17.103 42.214 1.00 10.98 C ATOM 1958 C ASP B 98 9.397 18.331 41.951 1.00 11.56 C ATOM 1959 O ASP B 98 8.684 18.784 42.847 1.00 12.71 O ATOM 1960 CB ASP B 98 9.357 15.873 42.183 1.00 11.46 C ATOM 1961 CG ASP B 98 10.121 14.576 42.318 1.00 13.34 C ATOM 1962 OD1 ASP B 98 11.352 14.562 42.086 1.00 11.90 O ATOM 1963 OD2 ASP B 98 9.459 13.568 42.642 1.00 13.69 O ATOM 1964 H ASP B 98 10.509 16.730 44.332 1.00 0.00 H ATOM 1965 N PRO B 99 9.429 18.867 40.718 1.00 9.98 N ATOM 1966 CA PRO B 99 10.233 18.442 39.568 1.00 10.95 C ATOM 1967 C PRO B 99 11.668 18.913 39.683 1.00 8.66 C ATOM 1968 O PRO B 99 11.913 20.006 40.219 1.00 9.05 O ATOM 1969 CB PRO B 99 9.563 19.160 38.399 1.00 10.89 C ATOM 1970 CG PRO B 99 9.016 20.423 39.011 1.00 12.42 C ATOM 1971 CD PRO B 99 8.524 19.981 40.367 1.00 10.19 C ATOM 1972 N TYR B 100 12.621 18.123 39.189 1.00 7.72 N ATOM 1973 CA TYR B 100 13.979 18.625 39.105 1.00 8.46 C ATOM 1974 C TYR B 100 13.926 19.857 38.232 1.00 7.27 C ATOM 1975 O TYR B 100 13.124 19.932 37.306 1.00 8.82 O ATOM 1976 CB TYR B 100 14.949 17.626 38.466 1.00 9.10 C ATOM 1977 CG TYR B 100 15.022 16.243 39.080 1.00 8.66 C ATOM 1978 CD1 TYR B 100 14.476 15.958 40.321 1.00 8.12 C ATOM 1979 CD2 TYR B 100 15.647 15.216 38.393 1.00 9.36 C ATOM 1980 CE1 TYR B 100 14.552 14.665 40.861 1.00 9.31 C ATOM 1981 CE2 TYR B 100 15.725 13.943 38.915 1.00 8.82 C ATOM 1982 CZ TYR B 100 15.179 13.667 40.141 1.00 9.81 C ATOM 1983 OH TYR B 100 15.256 12.378 40.635 1.00 10.10 O ATOM 1984 HH TYR B 100 14.820 12.340 41.523 1.00 0.00 H ATOM 1985 H TYR B 100 12.394 17.160 38.868 1.00 0.00 H ATOM 1986 N THR B 101 14.817 20.803 38.505 1.00 7.91 N ATOM 1987 CA THR B 101 14.876 22.048 37.757 1.00 8.27 C ATOM 1988 C THR B 101 16.313 22.442 37.470 1.00 8.01 C ATOM 1989 O THR B 101 17.241 22.022 38.171 1.00 9.07 O ATOM 1990 CB THR B 101 14.179 23.175 38.524 1.00 8.96 C ATOM 1991 OG1 THR B 101 14.682 23.210 39.864 1.00 9.66 O ATOM 1992 CG2 THR B 101 12.665 22.961 38.547 1.00 9.76 C ATOM 1993 HG1 THR B 101 14.234 23.937 40.364 1.00 0.00 H ATOM 1994 H THR B 101 15.494 20.648 39.279 1.00 0.00 H ATOM 1995 N PHE B 102 16.467 23.235 36.415 1.00 8.62 N ATOM 1996 CA PHE B 102 17.756 23.686 35.919 1.00 8.47 C ATOM 1997 C PHE B 102 17.827 25.201 35.975 1.00 8.37 C ATOM 1998 O PHE B 102 16.823 25.884 35.778 1.00 9.03 O ATOM 1999 CB PHE B 102 17.937 23.282 34.452 1.00 8.03 C ATOM 2000 CG PHE B 102 18.093 21.806 34.219 1.00 9.37 C ATOM 2001 CD1 PHE B 102 16.982 20.985 34.106 1.00 10.01 C ATOM 2002 CD2 PHE B 102 19.350 21.244 34.066 1.00 9.18 C ATOM 2003 CE1 PHE B 102 17.118 19.633 33.861 1.00 10.67 C ATOM 2004 CE2 PHE B 102 19.494 19.888 33.817 1.00 8.96 C ATOM 2005 CZ PHE B 102 18.380 19.079 33.725 1.00 10.81 C ATOM 2006 H PHE B 102 15.613 23.552 35.914 1.00 0.00 H ATOM 2007 N GLY B 103 19.026 25.728 36.218 1.00 9.41 N ATOM 2008 CA GLY B 103 19.282 27.144 36.037 1.00 8.28 C ATOM 2009 C GLY B 103 19.228 27.519 34.567 1.00 9.46 C ATOM 2010 O GLY B 103 19.182 26.649 33.697 1.00 9.96 O ATOM 2011 H GLY B 103 19.796 25.110 36.545 1.00 0.00 H ATOM 2012 N GLY B 104 19.257 28.818 34.290 1.00 9.51 N ATOM 2013 CA GLY B 104 19.128 29.315 32.934 1.00 9.76 C ATOM 2014 C GLY B 104 20.389 29.244 32.090 1.00 10.94 C ATOM 2015 O GLY B 104 20.356 29.566 30.904 1.00 13.11 O ATOM 2016 H GLY B 104 19.376 29.498 35.068 1.00 0.00 H ATOM 2017 N GLY B 105 21.498 28.836 32.697 1.00 10.81 N ATOM 2018 CA GLY B 105 22.753 28.685 31.978 1.00 12.85 C ATOM 2019 C GLY B 105 23.671 29.893 32.068 1.00 10.80 C ATOM 2020 O GLY B 105 23.208 31.026 32.168 1.00 10.85 O ATOM 2021 H GLY B 105 21.468 28.619 33.714 1.00 0.00 H ATOM 2022 N THR B 106 24.972 29.637 32.017 1.00 10.56 N ATOM 2023 CA THR B 106 25.989 30.686 31.969 1.00 10.35 C ATOM 2024 C THR B 106 26.945 30.362 30.834 1.00 9.46 C ATOM 2025 O THR B 106 27.591 29.324 30.864 1.00 12.02 O ATOM 2026 CB THR B 106 26.779 30.742 33.277 1.00 10.87 C ATOM 2027 OG1 THR B 106 25.897 31.095 34.347 1.00 11.41 O ATOM 2028 CG2 THR B 106 27.923 31.764 33.190 1.00 10.80 C ATOM 2029 HG1 THR B 106 25.495 31.981 34.163 1.00 0.00 H ATOM 2030 H THR B 106 25.282 28.644 32.011 1.00 0.00 H ATOM 2031 N LYS B 107 27.036 31.245 29.844 1.00 11.85 N ATOM 2032 CA LYS B 107 27.899 31.010 28.695 1.00 11.67 C ATOM 2033 C LYS B 107 29.283 31.593 28.952 1.00 14.71 C ATOM 2034 O LYS B 107 29.443 32.801 29.143 1.00 15.09 O ATOM 2035 CB LYS B 107 27.295 31.613 27.428 1.00 15.57 C ATOM 2036 CG LYS B 107 28.044 31.238 26.161 1.00 23.66 C ATOM 2037 CD LYS B 107 27.253 31.624 24.916 1.00 30.29 C ATOM 2038 CE LYS B 107 28.029 31.306 23.650 1.00 39.17 C ATOM 2039 NZ LYS B 107 29.293 32.089 23.580 1.00 45.50 N ATOM 2040 HZ1 LYS B 107 29.071 33.105 23.586 1.00 0.00 H ATOM 2041 HZ2 LYS B 107 29.888 31.858 24.401 1.00 0.00 H ATOM 2042 HZ3 LYS B 107 29.800 31.849 22.704 1.00 0.00 H ATOM 2043 H LYS B 107 26.479 32.122 29.891 1.00 0.00 H ATOM 2044 N LEU B 108 30.280 30.713 28.969 1.00 12.13 N ATOM 2045 CA LEU B 108 31.661 31.097 29.227 1.00 12.53 C ATOM 2046 C LEU B 108 32.424 31.180 27.914 1.00 16.28 C ATOM 2047 O LEU B 108 32.416 30.225 27.132 1.00 16.87 O ATOM 2048 CB LEU B 108 32.323 30.060 30.139 1.00 13.98 C ATOM 2049 CG LEU B 108 33.768 30.343 30.552 1.00 16.47 C ATOM 2050 CD1 LEU B 108 33.850 31.565 31.433 1.00 27.25 C ATOM 2051 CD2 LEU B 108 34.353 29.143 31.270 1.00 20.16 C ATOM 2052 H LEU B 108 30.065 29.711 28.791 1.00 0.00 H ATOM 2053 N GLU B 109 33.071 32.321 27.684 1.00 15.69 N ATOM 2054 CA GLU B 109 33.937 32.525 26.526 1.00 19.99 C ATOM 2055 C GLU B 109 35.351 32.861 26.981 1.00 21.96 C ATOM 2056 O GLU B 109 35.558 33.344 28.099 1.00 18.73 O ATOM 2057 CB GLU B 109 33.418 33.672 25.658 1.00 28.28 C ATOM 2058 CG GLU B 109 32.098 33.395 24.966 1.00 42.51 C ATOM 2059 CD GLU B 109 31.591 34.595 24.189 1.00 53.70 C ATOM 2060 OE1 GLU B 109 32.077 35.719 24.445 1.00 56.84 O ATOM 2061 OE2 GLU B 109 30.711 34.414 23.320 1.00 52.64 O ATOM 2062 H GLU B 109 32.954 33.103 28.360 1.00 0.00 H ATOM 2063 N ILE B 110 36.317 32.606 26.103 1.00 24.83 N ATOM 2064 CA ILE B 110 37.702 33.001 26.331 1.00 28.96 C ATOM 2065 C ILE B 110 37.979 34.312 25.613 1.00 33.08 C ATOM 2066 O ILE B 110 37.566 34.500 24.469 1.00 29.95 O ATOM 2067 CB ILE B 110 38.689 31.941 25.808 1.00 35.62 C ATOM 2068 CG1 ILE B 110 38.370 30.567 26.404 1.00 36.80 C ATOM 2069 CG2 ILE B 110 40.129 32.342 26.124 1.00 32.87 C ATOM 2070 CD1 ILE B 110 38.406 30.515 27.920 1.00 40.03 C ATOM 2071 H ILE B 110 36.076 32.107 25.223 1.00 0.00 H ATOM 2072 N LYS B 111 38.682 35.216 26.286 1.00 39.86 N ATOM 2073 CA LYS B 111 39.030 36.504 25.698 1.00 43.15 C ATOM 2074 C LYS B 111 40.299 36.405 24.858 1.00 49.27 C ATOM 2075 O LYS B 111 41.097 35.483 25.026 1.00 52.15 O ATOM 2076 CB LYS B 111 39.206 37.556 26.792 1.00 39.78 C ATOM 2077 CG LYS B 111 37.897 38.073 27.355 1.00 39.89 C ATOM 2078 CD LYS B 111 38.115 39.221 28.325 1.00 38.56 C ATOM 2079 CE LYS B 111 38.848 38.766 29.572 1.00 41.69 C ATOM 2080 NZ LYS B 111 38.927 39.855 30.584 1.00 50.03 N ATOM 2081 HZ1 LYS B 111 39.436 40.667 30.179 1.00 0.00 H ATOM 2082 HZ2 LYS B 111 37.966 40.146 30.854 1.00 0.00 H ATOM 2083 HZ3 LYS B 111 39.434 39.510 31.424 1.00 0.00 H ATOM 2084 H LYS B 111 38.991 35.000 27.255 1.00 0.00 H TER 2085 LYS B 111 HETATM 2086 O HOH 1 18.456 7.883 38.236 1.00 9.74 O HETATM 2087 O HOH 2 7.274 16.556 39.509 1.00 14.55 O HETATM 2088 O HOH 3 3.632 4.639 31.766 1.00 15.16 O HETATM 2089 O HOH 4 18.260 2.445 33.788 1.00 12.32 O HETATM 2090 O HOH 5 9.967 20.646 34.138 1.00 15.27 O HETATM 2091 O HOH 6 14.145 23.441 34.594 1.00 11.25 O HETATM 2092 O HOH 7 18.970 25.752 25.960 1.00 22.55 O HETATM 2093 O HOH 8 6.323 1.067 31.196 1.00 16.76 O HETATM 2094 O HOH 9 13.148 21.790 17.209 1.00 18.15 O HETATM 2095 O HOH 10 5.785 5.656 25.908 1.00 14.91 O HETATM 2096 O HOH 11 12.838 9.427 17.366 1.00 16.23 O HETATM 2097 O HOH 12 23.775 -4.801 38.332 1.00 16.25 O HETATM 2098 O HOH 13 14.920 9.638 22.040 1.00 11.57 O HETATM 2099 O HOH 14 1.387 3.903 30.502 1.00 21.45 O HETATM 2100 O HOH 15 9.879 -1.775 32.303 1.00 21.86 O HETATM 2101 O HOH 16 10.591 6.182 29.401 1.00 12.60 O HETATM 2102 O HOH 17 12.452 23.286 27.150 1.00 16.24 O HETATM 2103 O HOH 18 25.325 7.645 26.222 1.00 16.78 O HETATM 2104 O HOH 19 7.026 18.962 25.032 1.00 15.62 O HETATM 2105 O HOH 20 4.797 2.493 33.055 1.00 15.67 O HETATM 2106 O HOH 21 3.569 13.578 12.032 1.00 22.19 O HETATM 2107 O HOH 22 1.534 11.441 31.891 1.00 19.06 O HETATM 2108 O HOH 23 3.280 7.884 18.842 1.00 23.34 O HETATM 2109 O HOH 24 13.848 17.044 13.492 1.00 18.08 O HETATM 2110 O HOH 25 1.602 10.993 25.707 1.00 21.30 O HETATM 2111 O HOH 26 26.599 13.806 31.666 1.00 20.36 O HETATM 2112 O HOH 27 8.133 22.768 27.755 1.00 18.11 O HETATM 2113 O HOH 28 18.733 11.604 13.190 1.00 28.20 O HETATM 2114 O HOH 29 4.579 -0.097 29.302 1.00 27.42 O HETATM 2115 O HOH 30 16.828 3.926 20.590 1.00 19.26 O HETATM 2116 O HOH 31 26.834 11.103 29.310 1.00 19.25 O HETATM 2117 O HOH 32 5.645 21.500 36.002 1.00 22.09 O HETATM 2118 O HOH 33 22.705 17.160 21.793 1.00 18.41 O HETATM 2119 O HOH 34 22.981 1.664 23.369 1.00 19.40 O HETATM 2120 O HOH 35 17.749 -5.918 25.442 1.00 23.66 O HETATM 2121 O HOH 36 3.563 24.536 13.415 1.00 26.74 O HETATM 2122 O HOH 37 5.743 16.292 43.588 1.00 20.78 O HETATM 2123 O HOH 38 13.378 28.149 22.101 1.00 23.39 O HETATM 2124 O HOH 39 20.944 -2.955 24.477 1.00 22.19 O HETATM 2125 O HOH 40 5.873 1.316 25.128 1.00 19.83 O HETATM 2126 O HOH 41 10.407 8.100 16.481 1.00 24.35 O HETATM 2127 O HOH 42 9.045 26.838 22.204 1.00 26.69 O HETATM 2128 O HOH 43 18.284 -4.282 39.759 1.00 25.13 O HETATM 2129 O HOH 44 2.764 0.566 32.854 1.00 25.63 O HETATM 2130 O HOH 45 2.945 6.960 33.042 1.00 16.06 O HETATM 2131 O HOH 46 6.591 7.628 16.457 1.00 19.88 O HETATM 2132 O HOH 47 8.482 8.501 14.639 1.00 28.83 O HETATM 2133 O HOH 48 17.528 22.671 21.935 1.00 27.29 O HETATM 2134 O HOH 49 9.817 23.146 14.692 1.00 21.80 O HETATM 2135 O HOH 50 0.659 26.860 10.095 1.00 28.46 O HETATM 2136 O HOH 51 23.178 -4.058 28.153 1.00 33.23 O HETATM 2137 O HOH 52 5.629 17.243 8.305 1.00 22.94 O HETATM 2138 O HOH 53 17.445 -4.503 32.735 1.00 18.58 O HETATM 2139 O HOH 54 2.614 20.219 9.057 1.00 24.10 O HETATM 2140 O HOH 55 -1.538 21.000 18.200 1.00 26.22 O HETATM 2141 O HOH 56 14.942 22.881 19.041 1.00 21.24 O HETATM 2142 O HOH 57 1.113 24.592 17.306 1.00 26.45 O HETATM 2143 O HOH 58 11.169 12.964 10.027 1.00 27.87 O HETATM 2144 O HOH 59 18.637 -4.084 23.454 1.00 26.00 O HETATM 2145 O HOH 60 21.583 19.885 20.208 1.00 41.02 O HETATM 2146 O HOH 61 20.580 20.877 22.547 1.00 28.49 O HETATM 2147 O HOH 62 24.334 15.134 21.198 1.00 33.27 O HETATM 2148 O HOH 63 30.611 6.977 36.561 1.00 36.35 O HETATM 2149 O HOH 64 30.894 4.987 39.177 1.00 28.27 O HETATM 2150 O HOH 65 26.977 7.142 28.592 1.00 31.86 O HETATM 2151 O HOH 66 27.714 -0.051 25.702 1.00 28.85 O HETATM 2152 O HOH 67 15.223 6.193 14.800 1.00 35.45 O HETATM 2153 O HOH 68 12.304 3.743 18.005 1.00 39.82 O HETATM 2154 O HOH 69 15.376 -0.352 21.396 1.00 30.29 O HETATM 2155 O HOH 70 13.088 0.798 20.052 1.00 31.74 O HETATM 2156 O HOH 71 6.299 17.956 5.827 1.00 36.57 O HETATM 2157 O HOH 72 5.211 14.991 5.253 1.00 37.01 O HETATM 2158 O HOH 73 1.185 12.627 11.067 1.00 28.07 O HETATM 2159 O HOH 74 1.397 9.958 12.343 1.00 45.17 O HETATM 2160 O HOH 75 7.051 4.911 16.820 1.00 45.02 O HETATM 2161 O HOH 76 12.618 -5.738 36.456 1.00 19.09 O HETATM 2162 O HOH 77 13.861 -5.951 39.221 1.00 23.03 O HETATM 2163 O HOH 78 20.335 -6.339 37.741 1.00 25.87 O HETATM 2164 O HOH 79 5.374 22.258 26.445 1.00 45.90 O HETATM 2165 O HOH 80 13.353 24.262 20.085 1.00 25.71 O HETATM 2166 O HOH 81 9.861 24.706 33.551 1.00 30.58 O HETATM 2167 O HOH 82 8.175 22.252 35.319 1.00 28.30 O HETATM 2168 O HOH 83 12.176 25.370 34.562 1.00 23.00 O HETATM 2169 O HOH 84 5.698 -3.340 31.684 1.00 28.91 O HETATM 2170 O HOH 85 3.609 9.402 40.304 1.00 26.78 O HETATM 2171 O HOH 86 5.012 11.980 44.330 1.00 29.06 O HETATM 2172 O HOH 87 3.178 12.164 38.179 1.00 10.38 O HETATM 2173 O HOH 88 -3.887 18.489 27.125 1.00 36.91 O HETATM 2174 O HOH 89 -0.650 20.254 23.423 1.00 28.58 O HETATM 2175 O HOH 90 -0.487 24.071 22.947 1.00 35.69 O HETATM 2176 O HOH 91 0.871 26.512 20.655 1.00 31.32 O HETATM 2177 O HOH 92 1.601 27.002 18.264 1.00 27.76 O HETATM 2178 O HOH 93 10.606 -2.629 23.510 1.00 25.58 O HETATM 2179 O HOH 94 13.801 -7.379 34.436 1.00 28.48 O HETATM 2180 O HOH 95 9.522 -4.149 31.269 1.00 30.66 O HETATM 2181 O HOH 96 7.266 -3.386 29.627 1.00 41.54 O HETATM 2182 O HOH 97 7.079 -1.045 32.803 1.00 23.37 O HETATM 2183 O HOH 98 3.144 5.270 25.353 1.00 25.11 O HETATM 2184 O HOH 99 6.487 14.844 9.062 1.00 25.99 O HETATM 2185 O HOH 100 6.262 20.602 5.288 1.00 29.11 O HETATM 2186 O HOH 101 7.707 24.797 11.521 1.00 27.55 O HETATM 2187 O HOH 102 10.283 24.335 12.126 1.00 35.47 O HETATM 2188 O HOH 103 4.640 11.747 13.987 1.00 28.13 O HETATM 2189 O HOH 104 7.003 11.309 13.599 1.00 31.55 O HETATM 2190 O HOH 105 11.792 7.507 11.888 1.00 36.31 O HETATM 2191 O HOH 106 -2.329 20.263 20.629 1.00 37.95 O HETATM 2192 O HOH 107 27.517 -2.748 25.556 1.00 35.29 O HETATM 2193 O HOH 108 26.533 0.153 36.817 1.00 29.29 O HETATM 2194 O HOH 109 20.720 -8.280 36.478 1.00 32.72 O HETATM 2195 O HOH 110 17.365 23.132 19.367 1.00 35.76 O HETATM 2196 O HOH 111 9.646 25.028 20.528 1.00 24.54 O HETATM 2197 O HOH 112 8.226 -2.245 43.453 1.00 25.80 O HETATM 2198 O HOH 113 3.426 5.305 38.693 1.00 24.91 O HETATM 2199 O HOH 114 3.197 4.631 36.280 1.00 33.98 O HETATM 2200 O HOH 115 0.597 10.534 34.332 1.00 32.03 O HETATM 2201 O HOH 116 3.047 15.485 38.371 1.00 32.80 O HETATM 2202 O HOH 117 2.714 16.530 40.609 1.00 29.53 O HETATM 2203 O HOH 118 10.113 4.744 19.249 1.00 27.39 O HETATM 2204 O HOH 119 30.099 4.698 32.238 1.00 38.17 O HETATM 2205 O HOH 120 19.219 11.221 17.458 1.00 29.95 O HETATM 2206 O HOH 121 3.103 16.734 44.708 1.00 46.30 O HETATM 2207 O HOH 122 12.602 -5.583 41.304 1.00 36.95 O HETATM 2208 O HOH 123 2.848 3.921 23.069 1.00 38.30 O HETATM 2209 O HOH 124 0.380 10.578 15.049 1.00 31.97 O HETATM 2210 O HOH 125 3.700 7.824 16.108 1.00 46.39 O HETATM 2211 O HOH 126 1.576 3.553 27.351 1.00 32.02 O HETATM 2212 O HOH 127 0.141 9.563 30.379 1.00 30.48 O HETATM 2213 O HOH 128 0.244 7.627 32.385 1.00 39.26 O HETATM 2214 O HOH 129 -0.952 24.238 12.604 1.00 35.67 O HETATM 2215 O HOH 130 -1.020 23.193 16.900 1.00 38.31 O HETATM 2216 O HOH 131 1.509 25.078 14.504 1.00 50.72 O HETATM 2217 O HOH 132 -0.973 22.296 10.910 1.00 29.54 O HETATM 2218 O HOH 133 7.933 10.496 44.024 1.00 35.32 O HETATM 2219 O HOH 134 6.611 1.233 20.507 1.00 38.95 O HETATM 2220 O HOH 135 -2.405 12.355 17.607 1.00 40.22 O HETATM 2221 O HOH 136 -1.570 18.542 25.284 1.00 36.87 O HETATM 2222 O HOH 137 24.496 7.925 22.176 1.00 32.84 O HETATM 2223 O HOH 138 12.131 5.893 15.593 1.00 36.50 O HETATM 2224 O HOH 139 14.775 9.691 11.821 1.00 38.36 O HETATM 2225 O HOH 140 17.744 16.246 11.755 1.00 28.59 O HETATM 2226 O HOH 141 20.065 16.830 15.279 1.00 42.57 O HETATM 2227 O HOH 142 14.219 15.827 11.092 1.00 50.43 O HETATM 2228 O HOH 143 13.791 17.555 8.915 1.00 40.53 O HETATM 2229 O HOH 144 20.568 -8.388 33.307 1.00 37.10 O HETATM 2230 O HOH 145 19.008 -10.553 36.530 1.00 40.85 O HETATM 2231 O HOH 146 30.700 -3.346 30.093 1.00 45.59 O HETATM 2232 O HOH 147 6.174 27.039 26.323 1.00 37.10 O HETATM 2233 O HOH 148 6.022 24.697 27.826 1.00 35.61 O HETATM 2234 O HOH 149 19.410 21.431 17.824 1.00 33.48 O HETATM 2235 O HOH 150 21.977 -2.444 21.896 1.00 43.22 O HETATM 2236 O HOH 151 2.218 13.075 40.711 1.00 43.12 O HETATM 2237 O HOH 152 16.893 -3.659 22.077 1.00 39.82 O HETATM 2238 O HOH 153 7.714 24.885 16.034 1.00 34.01 O HETATM 2239 O HOH 154 29.054 2.600 35.592 1.00 30.18 O HETATM 2240 O HOH 155 21.526 14.993 18.604 1.00 35.67 O HETATM 2241 O HOH 156 8.679 11.970 11.359 1.00 36.13 O HETATM 2242 O HOH 157 4.631 12.816 9.828 1.00 42.21 O HETATM 2243 O HOH 158 -1.655 16.238 11.601 1.00 36.40 O HETATM 2244 O HOH 159 8.039 13.946 45.611 1.00 35.66 O HETATM 2245 O HOH 160 14.463 26.116 31.958 1.00 49.01 O HETATM 2246 O HOH 161 10.570 -3.365 41.736 1.00 13.85 O HETATM 2247 O HOH 162 26.648 -0.613 22.440 1.00 45.39 O HETATM 2248 O HOH 163 -1.285 9.955 21.697 1.00 44.83 O HETATM 2249 O HOH 164 -1.702 11.884 27.240 1.00 56.68 O HETATM 2250 O HOH 165 -2.112 11.384 29.596 1.00 47.26 O HETATM 2251 O HOH 166 10.310 -5.016 22.588 1.00 38.68 O HETATM 2252 O HOH 167 14.361 -8.235 31.438 1.00 39.25 O HETATM 2253 O HOH 168 7.655 27.583 28.762 1.00 58.56 O HETATM 2254 O HOH 169 19.565 0.382 19.504 1.00 42.69 O HETATM 2255 O HOH 170 16.125 -7.015 33.096 1.00 42.32 O HETATM 2256 O HOH 171 28.779 1.825 23.821 1.00 60.17 O HETATM 2257 O HOH 172 -2.194 24.221 14.888 1.00 41.55 O HETATM 2258 O HOH 173 1.140 10.934 36.634 1.00 42.32 O HETATM 2259 O HOH 174 2.457 8.813 37.098 1.00 29.46 O HETATM 2260 O HOH 175 23.036 16.157 43.508 1.00 12.66 O HETATM 2261 O HOH 176 27.992 23.546 43.995 1.00 10.45 O HETATM 2262 O HOH 177 12.537 21.276 35.060 1.00 9.78 O HETATM 2263 O HOH 178 36.699 19.156 42.574 1.00 15.37 O HETATM 2264 O HOH 179 29.420 21.914 49.134 1.00 16.87 O HETATM 2265 O HOH 180 21.039 32.236 33.218 1.00 16.07 O HETATM 2266 O HOH 181 11.063 21.743 42.242 1.00 12.54 O HETATM 2267 O HOH 182 34.580 19.971 44.284 1.00 12.71 O HETATM 2268 O HOH 183 30.509 13.578 32.781 1.00 12.98 O HETATM 2269 O HOH 184 28.673 18.971 25.959 1.00 14.64 O HETATM 2270 O HOH 185 17.768 26.021 31.389 1.00 14.86 O HETATM 2271 O HOH 186 19.633 31.478 35.425 1.00 12.27 O HETATM 2272 O HOH 187 35.043 27.704 47.738 1.00 16.24 O HETATM 2273 O HOH 188 31.079 19.145 27.203 1.00 18.65 O HETATM 2274 O HOH 189 36.336 12.298 40.188 1.00 17.96 O HETATM 2275 O HOH 190 37.927 13.212 38.079 1.00 19.46 O HETATM 2276 O HOH 191 23.210 32.847 29.211 1.00 20.85 O HETATM 2277 O HOH 192 33.996 22.489 48.121 1.00 13.06 O HETATM 2278 O HOH 193 14.915 26.920 37.637 1.00 14.10 O HETATM 2279 O HOH 194 9.721 15.969 45.829 1.00 17.89 O HETATM 2280 O HOH 195 8.699 24.097 45.489 1.00 15.92 O HETATM 2281 O HOH 196 36.312 21.693 29.654 1.00 14.61 O HETATM 2282 O HOH 197 6.703 25.559 48.310 1.00 17.60 O HETATM 2283 O HOH 198 25.877 38.547 32.098 1.00 27.20 O HETATM 2284 O HOH 199 13.269 22.754 49.978 1.00 18.64 O HETATM 2285 O HOH 200 46.686 29.429 41.168 1.00 18.30 O HETATM 2286 O HOH 201 13.922 26.810 51.816 1.00 20.72 O HETATM 2287 O HOH 202 14.701 12.035 43.152 1.00 20.24 O HETATM 2288 O HOH 203 23.001 33.441 41.136 1.00 15.94 O HETATM 2289 O HOH 204 34.523 18.571 28.776 1.00 21.39 O HETATM 2290 O HOH 205 29.560 19.342 50.060 1.00 20.78 O HETATM 2291 O HOH 206 44.135 26.133 27.165 1.00 19.99 O HETATM 2292 O HOH 207 31.281 30.050 24.688 1.00 22.26 O HETATM 2293 O HOH 208 26.278 17.298 49.252 1.00 19.27 O HETATM 2294 O HOH 209 36.251 20.297 27.263 1.00 21.79 O HETATM 2295 O HOH 210 34.981 24.613 23.782 1.00 21.71 O HETATM 2296 O HOH 211 23.516 25.140 25.897 1.00 23.01 O HETATM 2297 O HOH 212 29.820 8.407 38.049 1.00 19.96 O HETATM 2298 O HOH 213 21.466 34.637 34.441 1.00 25.14 O HETATM 2299 O HOH 214 22.212 30.547 28.976 1.00 21.38 O HETATM 2300 O HOH 215 13.211 14.204 44.267 1.00 22.42 O HETATM 2301 O HOH 216 33.060 18.000 25.385 1.00 28.46 O HETATM 2302 O HOH 217 35.334 15.134 44.456 1.00 17.82 O HETATM 2303 O HOH 218 31.337 25.468 23.365 1.00 24.60 O HETATM 2304 O HOH 219 39.393 20.226 42.622 1.00 23.46 O HETATM 2305 O HOH 220 15.363 29.853 36.230 1.00 23.80 O HETATM 2306 O HOH 221 37.021 19.351 30.925 1.00 25.38 O HETATM 2307 O HOH 222 33.133 27.197 43.947 1.00 20.33 O HETATM 2308 O HOH 223 26.298 24.936 24.295 1.00 24.22 O HETATM 2309 O HOH 224 5.963 23.075 44.050 1.00 23.43 O HETATM 2310 O HOH 225 6.721 22.192 47.274 1.00 23.34 O HETATM 2311 O HOH 226 28.998 11.567 33.824 1.00 23.08 O HETATM 2312 O HOH 227 27.346 27.387 24.462 1.00 21.87 O HETATM 2313 O HOH 228 12.300 26.753 37.019 1.00 21.37 O HETATM 2314 O HOH 229 21.247 35.541 41.783 1.00 24.30 O HETATM 2315 O HOH 230 21.089 13.050 52.047 1.00 31.52 O HETATM 2316 O HOH 231 17.384 32.813 35.327 1.00 23.84 O HETATM 2317 O HOH 232 15.668 32.505 37.396 1.00 28.57 O HETATM 2318 O HOH 233 5.397 17.728 41.231 1.00 17.08 O HETATM 2319 O HOH 234 29.816 27.782 23.632 1.00 21.22 O HETATM 2320 O HOH 235 6.418 24.218 46.192 1.00 12.04 O HETATM 2321 O HOH 236 42.785 34.830 27.028 1.00 28.67 O HETATM 2322 O HOH 237 44.267 30.607 37.723 1.00 19.79 O HETATM 2323 O HOH 238 44.239 32.829 39.314 1.00 19.41 O HETATM 2324 O HOH 239 25.910 31.344 44.862 1.00 19.33 O HETATM 2325 O HOH 240 16.176 31.580 42.127 1.00 13.34 O HETATM 2326 O HOH 241 17.343 33.075 44.104 1.00 20.33 O HETATM 2327 O HOH 242 17.836 32.263 46.791 1.00 22.47 O HETATM 2328 O HOH 243 20.044 33.157 48.026 1.00 25.34 O HETATM 2329 O HOH 244 11.029 23.216 48.458 1.00 17.93 O HETATM 2330 O HOH 245 13.159 19.993 50.898 1.00 35.15 O HETATM 2331 O HOH 246 20.292 18.688 55.543 1.00 29.98 O HETATM 2332 O HOH 247 16.891 17.249 56.042 1.00 31.32 O HETATM 2333 O HOH 248 27.531 18.231 51.411 1.00 28.87 O HETATM 2334 O HOH 249 23.871 21.165 22.391 1.00 26.06 O HETATM 2335 O HOH 250 26.858 13.694 28.324 1.00 28.92 O HETATM 2336 O HOH 251 28.546 15.295 26.027 1.00 31.04 O HETATM 2337 O HOH 252 37.575 16.699 43.904 1.00 27.21 O HETATM 2338 O HOH 253 35.301 8.037 33.593 1.00 39.39 O HETATM 2339 O HOH 254 32.932 12.212 32.724 1.00 21.45 O HETATM 2340 O HOH 255 36.481 15.042 30.688 1.00 33.67 O HETATM 2341 O HOH 256 42.187 19.832 32.143 1.00 20.33 O HETATM 2342 O HOH 257 38.374 24.778 41.062 1.00 14.30 O HETATM 2343 O HOH 258 22.325 28.974 51.759 1.00 26.03 O HETATM 2344 O HOH 259 26.340 28.474 50.539 1.00 27.88 O HETATM 2345 O HOH 260 19.842 27.663 27.515 1.00 32.65 O HETATM 2346 O HOH 261 18.256 28.916 29.420 1.00 28.89 O HETATM 2347 O HOH 262 19.375 33.189 31.263 1.00 30.39 O HETATM 2348 O HOH 263 15.891 27.459 33.702 1.00 26.08 O HETATM 2349 O HOH 264 35.814 31.199 23.673 1.00 27.01 O HETATM 2350 O HOH 265 24.223 38.583 34.243 1.00 27.89 O HETATM 2351 O HOH 266 30.056 38.870 33.017 1.00 25.62 O HETATM 2352 O HOH 267 32.520 38.950 31.172 1.00 28.38 O HETATM 2353 O HOH 268 34.811 38.068 33.706 1.00 29.67 O HETATM 2354 O HOH 269 4.860 20.255 41.505 1.00 22.54 O HETATM 2355 O HOH 270 10.706 25.888 39.016 1.00 46.85 O HETATM 2356 O HOH 271 30.086 38.616 29.129 1.00 37.39 O HETATM 2357 O HOH 272 29.576 28.801 21.059 1.00 37.18 O HETATM 2358 O HOH 273 25.857 28.670 22.472 1.00 38.70 O HETATM 2359 O HOH 274 21.813 29.073 26.673 1.00 40.09 O HETATM 2360 O HOH 275 45.855 34.997 29.316 1.00 30.15 O HETATM 2361 O HOH 276 47.435 29.673 35.006 1.00 30.99 O HETATM 2362 O HOH 277 9.500 23.864 50.403 1.00 56.04 O HETATM 2363 O HOH 278 7.089 24.188 50.286 1.00 32.46 O HETATM 2364 O HOH 279 26.820 15.572 55.057 1.00 34.66 O HETATM 2365 O HOH 280 26.176 11.824 52.739 1.00 44.89 O HETATM 2366 O HOH 281 18.665 10.712 49.805 1.00 36.02 O HETATM 2367 O HOH 282 28.218 14.602 49.159 1.00 27.86 O HETATM 2368 O HOH 283 30.455 22.176 19.791 1.00 32.01 O HETATM 2369 O HOH 284 26.715 14.381 23.106 1.00 37.28 O HETATM 2370 O HOH 285 30.377 9.888 45.886 1.00 25.25 O HETATM 2371 O HOH 286 33.389 12.287 43.476 1.00 28.08 O HETATM 2372 O HOH 287 36.943 9.568 40.095 1.00 25.01 O HETATM 2373 O HOH 288 39.827 15.172 42.771 1.00 32.52 O HETATM 2374 O HOH 289 38.368 17.487 46.352 1.00 28.05 O HETATM 2375 O HOH 290 44.054 22.930 39.283 1.00 38.09 O HETATM 2376 O HOH 291 40.413 22.300 43.897 1.00 42.89 O HETATM 2377 O HOH 292 28.167 29.911 49.974 1.00 41.04 O HETATM 2378 O HOH 293 24.999 28.410 52.436 1.00 35.05 O HETATM 2379 O HOH 294 23.077 37.083 43.484 1.00 23.42 O HETATM 2380 O HOH 295 25.980 35.953 47.170 1.00 40.96 O HETATM 2381 O HOH 296 26.000 33.623 48.729 1.00 37.23 O HETATM 2382 O HOH 297 27.804 32.915 46.140 1.00 31.82 O HETATM 2383 O HOH 298 21.340 35.943 47.560 1.00 46.19 O HETATM 2384 O HOH 299 18.985 35.159 43.232 1.00 24.83 O HETATM 2385 O HOH 300 20.749 37.241 39.657 1.00 31.02 O HETATM 2386 O HOH 301 16.899 36.420 47.285 1.00 37.25 O HETATM 2387 O HOH 302 15.913 33.872 47.861 1.00 30.87 O HETATM 2388 O HOH 303 16.196 32.370 50.725 1.00 31.53 O HETATM 2389 O HOH 304 19.066 27.298 53.032 1.00 31.41 O HETATM 2390 O HOH 305 18.752 23.927 54.496 1.00 43.16 O HETATM 2391 O HOH 306 18.738 31.231 51.784 1.00 36.09 O HETATM 2392 O HOH 307 37.858 28.776 23.577 1.00 32.24 O HETATM 2393 O HOH 308 36.764 21.858 23.031 1.00 41.11 O HETATM 2394 O HOH 309 33.770 28.183 21.177 1.00 47.14 O HETATM 2395 O HOH 310 33.182 30.594 22.688 1.00 24.80 O HETATM 2396 O HOH 311 29.849 31.346 20.658 1.00 42.51 O HETATM 2397 O HOH 312 7.459 17.688 45.144 1.00 22.13 O HETATM 2398 O HOH 313 5.797 19.876 46.100 1.00 30.41 O HETATM 2399 O HOH 314 3.304 19.073 45.997 1.00 47.94 O HETATM 2400 O HOH 315 15.661 29.985 33.733 1.00 33.64 O HETATM 2401 O HOH 316 11.706 29.771 36.063 1.00 41.71 O HETATM 2402 O HOH 317 34.754 29.690 44.189 1.00 26.92 O HETATM 2403 O HOH 318 43.604 17.657 42.584 1.00 28.67 O HETATM 2404 O HOH 319 44.243 20.189 42.064 1.00 26.66 O HETATM 2405 O HOH 320 46.812 26.362 38.569 1.00 31.38 O HETATM 2406 O HOH 321 46.482 29.128 38.190 1.00 38.53 O HETATM 2407 O HOH 322 39.712 13.974 32.487 1.00 34.53 O HETATM 2408 O HOH 323 40.241 12.342 34.029 1.00 44.35 O HETATM 2409 O HOH 324 38.818 11.354 36.440 1.00 27.50 O HETATM 2410 O HOH 325 8.776 24.020 37.692 1.00 30.66 O HETATM 2411 O HOH 326 9.337 26.444 37.344 1.00 52.85 O HETATM 2412 O HOH 327 30.954 36.972 27.214 1.00 39.26 O HETATM 2413 O HOH 328 29.796 34.540 27.054 1.00 36.05 O HETATM 2414 O HOH 329 23.812 38.407 37.381 1.00 40.17 O HETATM 2415 O HOH 330 26.615 35.435 25.861 1.00 35.56 O HETATM 2416 O HOH 331 22.921 24.527 54.388 1.00 35.26 O HETATM 2417 O HOH 332 18.131 19.552 55.453 1.00 42.03 O HETATM 2418 O HOH 333 17.017 10.881 54.219 1.00 56.35 O HETATM 2419 O HOH 334 35.747 17.581 30.835 1.00 42.77 O HETATM 2420 O HOH 335 26.098 14.903 19.819 1.00 34.07 O HETATM 2421 O HOH 336 40.656 14.128 40.110 1.00 39.21 O HETATM 2422 O HOH 337 38.465 9.053 38.298 1.00 36.43 O HETATM 2423 O HOH 338 46.008 22.972 28.074 1.00 37.79 O HETATM 2424 O HOH 339 44.142 21.924 29.954 1.00 27.88 O HETATM 2425 O HOH 340 44.102 23.768 26.313 1.00 30.49 O HETATM 2426 O HOH 341 43.535 21.746 44.135 1.00 29.29 O HETATM 2427 O HOH 342 24.003 29.782 26.421 1.00 41.39 O HETATM 2428 O HOH 343 25.943 11.766 25.602 1.00 34.95 O HETATM 2429 O HOH 344 39.292 38.310 32.828 1.00 34.07 O HETATM 2430 O HOH 345 5.380 21.877 39.121 1.00 38.32 O HETATM 2431 O HOH 346 34.971 18.657 24.279 1.00 40.11 O HETATM 2432 O HOH 347 29.093 28.629 47.428 1.00 48.96 O HETATM 2433 O HOH 348 32.164 8.906 34.189 1.00 59.63 O HETATM 2434 O HOH 349 14.286 11.483 54.091 1.00 46.54 O HETATM 2435 O HOH 350 20.368 10.130 47.371 1.00 17.70 O HETATM 2436 O HOH 351 21.600 7.522 48.182 1.00 19.24 O HETATM 2437 O HOH 352 11.823 17.901 48.671 1.00 34.07 O HETATM 2438 O HOH 353 5.311 1.330 40.689 1.00 26.80 O HETATM 2439 O HOH 354 3.035 2.639 40.799 1.00 18.27 O HETATM 2440 O HOH 355 32.178 8.332 44.746 1.00 23.15 O HETATM 2441 O HOH 356 13.735 11.093 46.994 1.00 35.96 O HETATM 2442 O HOH 357 14.360 5.586 46.191 1.00 43.14 O HETATM 2443 O HOH 358 11.947 3.419 44.968 1.00 35.49 O HETATM 2444 O HOH 359 10.133 6.266 47.674 1.00 32.84 O HETATM 2445 O HOH 360 5.200 4.068 44.504 1.00 32.25 O HETATM 2446 O HOH 361 6.805 2.313 43.181 1.00 29.90 O HETATM 2447 O HOH 362 3.147 4.272 43.166 1.00 37.01 O HETATM 2448 O HOH 363 7.632 0.430 44.917 1.00 34.18 O HETATM 2449 O HOH 364 16.489 4.774 44.439 1.00 9.19 O HETATM 2450 O HOH 365 13.363 4.954 48.310 1.00 41.54 O HETATM 2451 O HOH 366 21.929 5.237 46.679 1.00 31.91 O HETATM 2452 O HOH 367 26.811 9.314 44.140 1.00 17.82 O HETATM 2453 O HOH 368 27.924 7.893 46.847 1.00 14.91 O HETATM 2454 O HOH 369 13.020 7.293 52.919 1.00 32.68 O HETATM 2455 C ACE A 370 32.315 9.127 41.186 1.00 0.18 C HETATM 2456 O ACE A 370 33.297 9.753 41.593 1.00 -0.40 O HETATM 2457 CH3 ACE A 370 31.883 9.243 39.761 1.00 0.03 C HETATM 2458 H1 ACE A 370 30.996 8.614 39.594 1.00 0.05 H HETATM 2459 H2 ACE A 370 32.698 8.909 39.102 1.00 0.05 H HETATM 2460 H3 ACE A 370 31.637 10.291 39.537 1.00 0.05 H HETATM 2461 N ACE A 370 31.591 8.361 42.006 1.00 -0.26 N HETATM 2462 CA ACE A 370 30.375 7.595 41.727 1.00 0.15 C HETATM 2463 C ACE A 370 29.110 8.444 41.944 1.00 0.21 C HETATM 2464 O ACE A 370 28.689 8.684 43.071 1.00 -0.39 O HETATM 2465 N ACE A 370 28.499 8.872 40.849 1.00 -0.26 N HETATM 2466 CA ACE A 370 27.359 9.788 40.877 1.00 0.13 C HETATM 2467 C ACE A 370 25.992 9.099 41.004 1.00 0.20 C HETATM 2468 O ACE A 370 24.966 9.769 41.089 1.00 -0.39 O HETATM 2469 N ACE A 370 25.969 7.775 40.991 1.00 -0.26 N HETATM 2470 CA ACE A 370 24.705 7.048 41.018 1.00 0.14 C HETATM 2471 C ACE A 370 23.884 7.383 42.247 1.00 0.21 C HETATM 2472 O ACE A 370 22.691 7.630 42.153 1.00 -0.39 O HETATM 2473 N ACE A 370 24.524 7.385 43.406 1.00 -0.26 N HETATM 2474 CA ACE A 370 23.801 7.469 44.663 1.00 0.15 C HETATM 2475 C ACE A 370 23.286 8.863 44.976 1.00 0.21 C HETATM 2476 O ACE A 370 22.198 9.001 45.535 1.00 -0.39 O HETATM 2477 N ACE A 370 24.042 9.889 44.597 1.00 -0.26 N HETATM 2478 CA ACE A 370 23.753 11.232 45.083 1.00 0.13 C HETATM 2479 C ACE A 370 23.545 12.284 44.007 1.00 0.20 C HETATM 2480 O ACE A 370 23.287 13.436 44.346 1.00 -0.39 O HETATM 2481 N ACE A 370 23.619 11.929 42.725 1.00 -0.26 N HETATM 2482 CA ACE A 370 23.268 12.926 41.712 1.00 0.15 C HETATM 2483 C ACE A 370 21.754 13.130 41.622 1.00 0.21 C HETATM 2484 O ACE A 370 21.295 14.099 41.011 1.00 -0.39 O HETATM 2485 N ACE A 370 20.992 12.222 42.227 1.00 -0.26 N HETATM 2486 CA ACE A 370 19.579 12.471 42.540 1.00 0.13 C HETATM 2487 C ACE A 370 19.355 12.129 44.011 1.00 0.20 C HETATM 2488 O ACE A 370 20.124 11.371 44.592 1.00 -0.39 O HETATM 2489 N ACE A 370 18.310 12.687 44.619 1.00 -0.26 N HETATM 2490 CA ACE A 370 17.923 12.305 45.974 1.00 0.13 C HETATM 2491 C ACE A 370 17.092 11.024 45.916 1.00 0.20 C HETATM 2492 O ACE A 370 16.062 10.986 45.247 1.00 -0.39 O HETATM 2493 N ACE A 370 17.558 9.977 46.596 1.00 -0.26 N HETATM 2494 CA ACE A 370 16.902 8.671 46.570 1.00 0.13 C HETATM 2495 C ACE A 370 16.188 8.302 47.868 1.00 0.20 C HETATM 2496 O ACE A 370 15.759 7.162 48.032 1.00 -0.39 O HETATM 2497 N ACE A 370 16.060 9.242 48.794 1.00 -0.26 N HETATM 2498 CA ACE A 370 15.430 8.919 50.073 1.00 0.15 C HETATM 2499 C ACE A 370 13.971 8.483 49.913 1.00 0.21 C HETATM 2500 O ACE A 370 13.482 7.637 50.664 1.00 -0.39 O HETATM 2501 N ACE A 370 13.281 9.050 48.929 1.00 -0.26 N HETATM 2502 CA ACE A 370 11.889 8.687 48.671 1.00 0.13 C HETATM 2503 C ACE A 370 11.488 9.033 47.238 1.00 0.20 C HETATM 2504 O ACE A 370 10.551 9.796 47.006 1.00 -0.39 O HETATM 2505 N ACE A 370 12.198 8.451 46.278 1.00 -0.26 N HETATM 2506 CA ACE A 370 12.028 8.818 44.875 1.00 0.13 C HETATM 2507 C ACE A 370 10.830 8.148 44.202 1.00 0.20 C HETATM 2508 O ACE A 370 10.613 8.329 43.003 1.00 -0.39 O HETATM 2509 N ACE A 370 10.062 7.375 44.968 1.00 -0.26 N HETATM 2510 CA ACE A 370 8.839 6.766 44.441 1.00 0.13 C HETATM 2511 C ACE A 370 7.664 6.910 45.396 1.00 0.20 C HETATM 2512 O ACE A 370 6.769 6.069 45.420 1.00 -0.39 O HETATM 2513 N ACE A 370 7.669 7.986 46.177 1.00 -0.27 N HETATM 2514 CA ACE A 370 6.584 8.256 47.111 1.00 0.12 C HETATM 2515 C ACE A 370 5.404 8.905 46.396 1.00 0.06 C HETATM 2516 O ACE A 370 4.958 8.423 45.354 1.00 -0.57 O HETATM 2517 OXT ACE A 370 4.877 9.922 46.848 1.00 -0.57 O HETATM 2518 CB ACE A 370 7.068 9.154 48.250 1.00 0.08 C HETATM 2519 OG ACE A 370 7.525 10.400 47.755 1.00 -0.39 O HETATM 2520 H110 ACE A 370 6.815 10.839 47.301 1.00 0.21 H HETATM 2521 H108 ACE A 370 7.893 8.652 48.778 1.00 0.06 H HETATM 2522 H109 ACE A 370 6.237 9.328 48.949 1.00 0.06 H HETATM 2523 H107 ACE A 370 6.249 7.300 47.539 1.00 0.07 H HETATM 2524 H106 ACE A 370 8.436 8.625 46.122 1.00 0.19 H HETATM 2525 CB ACE A 370 9.070 5.293 44.084 1.00 -0.00 C HETATM 2526 CG ACE A 370 10.225 5.116 43.114 1.00 0.00 C HETATM 2527 CD ACE A 370 10.268 3.757 42.428 1.00 0.04 C HETATM 2528 OE1 ACE A 370 9.311 2.970 42.541 1.00 -0.57 O HETATM 2529 OE2 ACE A 370 11.282 3.491 41.759 1.00 -0.57 O HETATM 2530 H104 ACE A 370 11.165 5.251 43.670 1.00 0.04 H HETATM 2531 H105 ACE A 370 10.144 5.891 42.337 1.00 0.04 H HETATM 2532 H102 ACE A 370 8.155 4.892 43.623 1.00 0.03 H HETATM 2533 H103 ACE A 370 9.292 4.735 45.006 1.00 0.03 H HETATM 2534 H101 ACE A 370 8.579 7.299 43.514 1.00 0.08 H HETATM 2535 H100 ACE A 370 10.325 7.208 45.918 1.00 0.19 H HETATM 2536 CB ACE A 370 13.308 8.535 44.091 1.00 -0.02 C HETATM 2537 H97 ACE A 370 13.163 8.817 43.038 1.00 0.03 H HETATM 2538 H98 ACE A 370 13.547 7.463 44.154 1.00 0.03 H HETATM 2539 H99 ACE A 370 14.136 9.121 44.517 1.00 0.03 H HETATM 2540 H96 ACE A 370 11.850 9.903 44.845 1.00 0.08 H HETATM 2541 H95 ACE A 370 12.864 7.746 46.522 1.00 0.19 H HETATM 2542 CB ACE A 370 10.960 9.378 49.676 1.00 -0.00 C HETATM 2543 CG ACE A 370 11.006 10.901 49.633 1.00 -0.00 C HETATM 2544 SD ACE A 370 10.544 11.659 51.202 1.00 -0.16 S HETATM 2545 CE ACE A 370 11.992 11.278 52.184 1.00 -0.02 C HETATM 2546 H92 ACE A 370 11.864 11.684 53.198 1.00 0.03 H HETATM 2547 H93 ACE A 370 12.880 11.729 51.718 1.00 0.03 H HETATM 2548 H94 ACE A 370 12.121 10.187 52.239 1.00 0.03 H HETATM 2549 H90 ACE A 370 10.312 11.252 48.855 1.00 0.04 H HETATM 2550 H91 ACE A 370 12.029 11.215 49.379 1.00 0.04 H HETATM 2551 H88 ACE A 370 11.246 9.054 50.688 1.00 0.03 H HETATM 2552 H89 ACE A 370 9.928 9.059 49.466 1.00 0.03 H HETATM 2553 H87 ACE A 370 11.789 7.599 48.801 1.00 0.08 H HETATM 2554 H86 ACE A 370 13.723 9.739 48.354 1.00 0.19 H HETATM 2555 CB ACE A 370 15.549 10.081 51.059 1.00 0.08 C HETATM 2556 OG ACE A 370 14.980 11.257 50.523 1.00 -0.39 O HETATM 2557 H85 ACE A 370 15.066 11.964 51.152 1.00 0.21 H HETATM 2558 H83 ACE A 370 16.612 10.262 51.276 1.00 0.06 H HETATM 2559 H84 ACE A 370 15.024 9.819 51.990 1.00 0.06 H HETATM 2560 H82 ACE A 370 15.980 8.067 50.499 1.00 0.08 H HETATM 2561 H81 ACE A 370 16.393 10.168 48.618 1.00 0.19 H HETATM 2562 CB ACE A 370 17.932 7.578 46.265 1.00 -0.01 C HETATM 2563 CG ACE A 370 18.547 7.692 44.898 1.00 -0.02 C HETATM 2564 CD ACE A 370 19.495 6.535 44.597 1.00 0.06 C HETATM 2565 NE ACE A 370 20.136 6.706 43.294 1.00 -0.27 N HETATM 2566 CZ ACE A 370 19.668 6.235 42.140 1.00 0.29 C HETATM 2567 NH1 ACE A 370 18.546 5.530 42.092 1.00 -0.28 N HETATM 2568 H77 ACE A 370 18.200 5.174 41.190 1.00 0.26 H HETATM 2569 H78 ACE A 370 18.021 5.338 42.957 1.00 0.26 H HETATM 2570 NH2 ACE A 370 20.332 6.470 41.021 1.00 -0.28 N HETATM 2571 H79 ACE A 370 21.205 7.016 41.045 1.00 0.26 H HETATM 2572 H80 ACE A 370 19.976 6.107 40.125 1.00 0.26 H HETATM 2573 H76 ACE A 370 21.020 7.233 43.267 1.00 0.26 H HETATM 2574 H74 ACE A 370 18.925 5.594 44.596 1.00 0.07 H HETATM 2575 H75 ACE A 370 20.270 6.494 45.376 1.00 0.07 H HETATM 2576 H72 ACE A 370 19.109 8.636 44.840 1.00 0.03 H HETATM 2577 H73 ACE A 370 17.744 7.697 44.147 1.00 0.03 H HETATM 2578 H70 ACE A 370 17.434 6.600 46.341 1.00 0.03 H HETATM 2579 H71 ACE A 370 18.736 7.639 47.014 1.00 0.03 H HETATM 2580 H69 ACE A 370 16.154 8.690 45.764 1.00 0.08 H HETATM 2581 H68 ACE A 370 18.387 10.089 47.144 1.00 0.19 H HETATM 2582 CB ACE A 370 17.124 13.426 46.643 1.00 -0.01 C HETATM 2583 CG ACE A 370 16.609 13.087 48.035 1.00 -0.02 C HETATM 2584 CD ACE A 370 15.860 14.266 48.649 1.00 0.06 C HETATM 2585 NE ACE A 370 14.823 13.839 49.583 1.00 -0.27 N HETATM 2586 CZ ACE A 370 13.981 14.665 50.194 1.00 0.29 C HETATM 2587 NH1 ACE A 370 14.047 15.972 49.976 1.00 -0.28 N HETATM 2588 H64 ACE A 370 13.391 16.607 50.453 1.00 0.26 H HETATM 2589 H65 ACE A 370 14.754 16.351 49.330 1.00 0.26 H HETATM 2590 NH2 ACE A 370 13.068 14.184 51.027 1.00 -0.28 N HETATM 2591 H66 ACE A 370 13.012 13.170 51.200 1.00 0.26 H HETATM 2592 H67 ACE A 370 12.415 14.824 51.501 1.00 0.26 H HETATM 2593 H63 ACE A 370 14.739 12.832 49.781 1.00 0.26 H HETATM 2594 H61 ACE A 370 15.391 14.846 47.841 1.00 0.07 H HETATM 2595 H62 ACE A 370 16.580 14.901 49.186 1.00 0.07 H HETATM 2596 H59 ACE A 370 17.462 12.829 48.680 1.00 0.03 H HETATM 2597 H60 ACE A 370 15.928 12.226 47.966 1.00 0.03 H HETATM 2598 H57 ACE A 370 16.260 13.661 46.004 1.00 0.03 H HETATM 2599 H58 ACE A 370 17.773 14.311 46.722 1.00 0.03 H HETATM 2600 H56 ACE A 370 18.831 12.117 46.566 1.00 0.08 H HETATM 2601 H55 ACE A 370 17.778 13.383 44.137 1.00 0.19 H HETATM 2602 CB ACE A 370 18.600 11.660 41.654 1.00 -0.00 C HETATM 2603 CG1 ACE A 370 18.696 10.158 41.940 1.00 -0.05 C HETATM 2604 CD1 ACE A 370 17.568 9.336 41.319 1.00 -0.06 C HETATM 2605 H52 ACE A 370 17.708 8.274 41.569 1.00 0.02 H HETATM 2606 H53 ACE A 370 17.582 9.461 40.226 1.00 0.02 H HETATM 2607 H54 ACE A 370 16.602 9.681 41.715 1.00 0.02 H HETATM 2608 H47 ACE A 370 18.672 10.011 43.030 1.00 0.03 H HETATM 2609 H48 ACE A 370 19.653 9.790 41.541 1.00 0.03 H HETATM 2610 CG2 ACE A 370 18.859 11.932 40.189 1.00 -0.06 C HETATM 2611 H49 ACE A 370 18.787 13.013 39.998 1.00 0.02 H HETATM 2612 H50 ACE A 370 18.112 11.402 39.580 1.00 0.02 H HETATM 2613 H51 ACE A 370 19.866 11.579 39.923 1.00 0.02 H HETATM 2614 H46 ACE A 370 17.577 11.988 41.890 1.00 0.03 H HETATM 2615 H45 ACE A 370 19.372 13.540 42.384 1.00 0.08 H HETATM 2616 H44 ACE A 370 21.395 11.341 42.477 1.00 0.19 H HETATM 2617 CB ACE A 370 23.894 12.642 40.343 1.00 0.08 C HETATM 2618 OG ACE A 370 23.391 11.466 39.759 1.00 -0.39 O HETATM 2619 H43 ACE A 370 23.577 10.727 40.327 1.00 0.21 H HETATM 2620 H41 ACE A 370 24.982 12.538 40.466 1.00 0.06 H HETATM 2621 H42 ACE A 370 23.680 13.489 39.674 1.00 0.06 H HETATM 2622 H40 ACE A 370 23.694 13.880 42.055 1.00 0.08 H HETATM 2623 H39 ACE A 370 23.906 11.008 42.462 1.00 0.19 H HETATM 2624 CB ACE A 370 24.843 11.684 46.048 1.00 -0.00 C HETATM 2625 CG ACE A 370 24.784 10.938 47.380 1.00 -0.00 C HETATM 2626 SD ACE A 370 25.679 11.815 48.669 1.00 -0.16 S HETATM 2627 CE ACE A 370 27.355 11.649 48.056 1.00 -0.02 C HETATM 2628 H36 ACE A 370 28.050 12.146 48.749 1.00 0.03 H HETATM 2629 H37 ACE A 370 27.430 12.117 47.063 1.00 0.03 H HETATM 2630 H38 ACE A 370 27.614 10.583 47.980 1.00 0.03 H HETATM 2631 H34 ACE A 370 25.230 9.941 47.251 1.00 0.04 H HETATM 2632 H35 ACE A 370 23.732 10.833 47.684 1.00 0.04 H HETATM 2633 H32 ACE A 370 24.722 12.760 46.240 1.00 0.03 H HETATM 2634 H33 ACE A 370 25.824 11.502 45.584 1.00 0.03 H HETATM 2635 H31 ACE A 370 22.811 11.167 45.648 1.00 0.08 H HETATM 2636 H30 ACE A 370 24.811 9.739 43.976 1.00 0.19 H HETATM 2637 CB ACE A 370 24.687 6.947 45.786 1.00 0.08 C HETATM 2638 CG ACE A 370 25.078 5.501 45.569 1.00 0.18 C HETATM 2639 OD1 ACE A 370 24.220 4.638 45.393 1.00 -0.40 O HETATM 2640 ND2 ACE A 370 26.377 5.229 45.542 1.00 -0.30 N HETATM 2641 H28 ACE A 370 26.688 4.289 45.402 1.00 0.18 H HETATM 2642 H29 ACE A 370 27.044 5.964 45.662 1.00 0.18 H HETATM 2643 H26 ACE A 370 24.141 7.029 46.737 1.00 0.06 H HETATM 2644 H27 ACE A 370 25.600 7.559 45.833 1.00 0.06 H HETATM 2645 H25 ACE A 370 22.924 6.809 44.586 1.00 0.08 H HETATM 2646 H24 ACE A 370 25.522 7.328 43.416 1.00 0.19 H HETATM 2647 CB ACE A 370 24.967 5.554 40.996 1.00 0.02 C HETATM 2648 CG ACE A 370 23.725 4.691 41.048 1.00 -0.05 C HETATM 2649 CD1 ACE A 370 23.212 4.129 39.895 1.00 -0.07 C HETATM 2650 CE1 ACE A 370 22.098 3.337 39.926 1.00 -0.04 C HETATM 2651 CZ ACE A 370 21.454 3.109 41.120 1.00 0.08 C HETATM 2652 CE2 ACE A 370 21.940 3.637 42.287 1.00 -0.04 C HETATM 2653 CD2 ACE A 370 23.068 4.449 42.241 1.00 -0.07 C HETATM 2654 H20 ACE A 370 23.438 4.900 43.155 1.00 0.05 H HETATM 2655 H22 ACE A 370 21.453 3.425 43.232 1.00 0.05 H HETATM 2656 OH ACE A 370 20.345 2.294 41.151 1.00 -0.34 O HETATM 2657 H23 ACE A 370 20.136 2.012 40.268 1.00 0.25 H HETATM 2658 H21 ACE A 370 21.723 2.890 39.012 1.00 0.05 H HETATM 2659 H19 ACE A 370 23.702 4.320 38.947 1.00 0.05 H HETATM 2660 H17 ACE A 370 25.594 5.304 41.864 1.00 0.05 H HETATM 2661 H18 ACE A 370 25.511 5.316 40.070 1.00 0.05 H HETATM 2662 H16 ACE A 370 24.127 7.324 40.124 1.00 0.08 H HETATM 2663 H15 ACE A 370 26.830 7.267 40.962 1.00 0.19 H HETATM 2664 CB ACE A 370 27.379 10.604 39.608 1.00 -0.02 C HETATM 2665 H12 ACE A 370 26.529 11.302 39.607 1.00 0.03 H HETATM 2666 H13 ACE A 370 27.304 9.933 38.739 1.00 0.03 H HETATM 2667 H14 ACE A 370 28.319 11.172 39.552 1.00 0.03 H HETATM 2668 H11 ACE A 370 27.482 10.459 41.740 1.00 0.08 H HETATM 2669 H10 ACE A 370 28.833 8.554 39.962 1.00 0.19 H HETATM 2670 CB ACE A 370 30.355 6.362 42.632 1.00 0.08 C HETATM 2671 CG ACE A 370 29.143 5.486 42.410 1.00 0.18 C HETATM 2672 OD1 ACE A 370 28.287 5.787 41.567 1.00 -0.40 O HETATM 2673 ND2 ACE A 370 29.072 4.374 43.153 1.00 -0.30 N HETATM 2674 H8 ACE A 370 28.294 3.754 43.052 1.00 0.18 H HETATM 2675 H9 ACE A 370 29.797 4.164 43.809 1.00 0.18 H HETATM 2676 H6 ACE A 370 30.359 6.696 43.680 1.00 0.06 H HETATM 2677 H7 ACE A 370 31.259 5.767 42.434 1.00 0.06 H HETATM 2678 H5 ACE A 370 30.397 7.267 40.677 1.00 0.08 H HETATM 2679 H4 ACE A 370 31.928 8.302 42.946 1.00 0.19 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 193 192 901 CONECT 901 193 900 CONECT 1062 1063 1070 1071 1072 CONECT 1070 1062 CONECT 1071 1062 CONECT 1072 1062 CONECT 1260 1259 1900 CONECT 1900 1260 1899 CONECT 2455 2456 2457 2461 CONECT 2456 2455 CONECT 2457 2455 2458 2459 2460 CONECT 2458 2457 CONECT 2459 2457 CONECT 2460 2457 CONECT 2461 2455 2462 2679 CONECT 2462 2461 2463 2670 2678 CONECT 2463 2462 2464 2465 CONECT 2464 2463 CONECT 2465 2463 2466 2669 CONECT 2466 2465 2467 2664 2668 CONECT 2467 2466 2468 2469 CONECT 2468 2467 CONECT 2469 2467 2470 2663 CONECT 2470 2469 2471 2647 2662 CONECT 2471 2470 2472 2473 CONECT 2472 2471 CONECT 2473 2471 2474 2646 CONECT 2474 2473 2475 2637 2645 CONECT 2475 2474 2476 2477 CONECT 2476 2475 CONECT 2477 2475 2478 2636 CONECT 2478 2477 2479 2624 2635 CONECT 2479 2478 2480 2481 CONECT 2480 2479 CONECT 2481 2479 2482 2623 CONECT 2482 2481 2483 2617 2622 CONECT 2483 2482 2484 2485 CONECT 2484 2483 CONECT 2485 2483 2486 2616 CONECT 2486 2485 2487 2602 2615 CONECT 2487 2486 2488 2489 CONECT 2488 2487 CONECT 2489 2487 2490 2601 CONECT 2490 2489 2491 2582 2600 CONECT 2491 2490 2492 2493 CONECT 2492 2491 CONECT 2493 2491 2494 2581 CONECT 2494 2493 2495 2562 2580 CONECT 2495 2494 2496 2497 CONECT 2496 2495 CONECT 2497 2495 2498 2561 CONECT 2498 2497 2499 2555 2560 CONECT 2499 2498 2500 2501 CONECT 2500 2499 CONECT 2501 2499 2502 2554 CONECT 2502 2501 2503 2542 2553 CONECT 2503 2502 2504 2505 CONECT 2504 2503 CONECT 2505 2503 2506 2541 CONECT 2506 2505 2507 2536 2540 CONECT 2507 2506 2508 2509 CONECT 2508 2507 CONECT 2509 2507 2510 2535 CONECT 2510 2509 2511 2525 2534 CONECT 2511 2510 2512 2513 CONECT 2512 2511 CONECT 2513 2511 2514 2524 CONECT 2514 2513 2515 2518 2523 CONECT 2515 2514 2516 2517 CONECT 2516 2515 CONECT 2517 2515 CONECT 2518 2514 2519 2521 2522 CONECT 2519 2518 2520 CONECT 2520 2519 CONECT 2521 2518 CONECT 2522 2518 CONECT 2523 2514 CONECT 2524 2513 CONECT 2525 2510 2526 2532 2533 CONECT 2526 2525 2527 2530 2531 CONECT 2527 2526 2528 2529 CONECT 2528 2527 CONECT 2529 2527 CONECT 2530 2526 CONECT 2531 2526 CONECT 2532 2525 CONECT 2533 2525 CONECT 2534 2510 CONECT 2535 2509 CONECT 2536 2506 2537 2538 2539 CONECT 2537 2536 CONECT 2538 2536 CONECT 2539 2536 CONECT 2540 2506 CONECT 2541 2505 CONECT 2542 2502 2543 2551 2552 CONECT 2543 2542 2544 2549 2550 CONECT 2544 2543 2545 CONECT 2545 2544 2546 2547 2548 CONECT 2546 2545 CONECT 2547 2545 CONECT 2548 2545 CONECT 2549 2543 CONECT 2550 2543 CONECT 2551 2542 CONECT 2552 2542 CONECT 2553 2502 CONECT 2554 2501 CONECT 2555 2498 2556 2558 2559 CONECT 2556 2555 2557 CONECT 2557 2556 CONECT 2558 2555 CONECT 2559 2555 CONECT 2560 2498 CONECT 2561 2497 CONECT 2562 2494 2563 2578 2579 CONECT 2563 2562 2564 2576 2577 CONECT 2564 2563 2565 2574 2575 CONECT 2565 2564 2566 2573 CONECT 2566 2565 2567 2570 CONECT 2567 2566 2568 2569 CONECT 2568 2567 CONECT 2569 2567 CONECT 2570 2566 2571 2572 CONECT 2571 2570 CONECT 2572 2570 CONECT 2573 2565 CONECT 2574 2564 CONECT 2575 2564 CONECT 2576 2563 CONECT 2577 2563 CONECT 2578 2562 CONECT 2579 2562 CONECT 2580 2494 CONECT 2581 2493 CONECT 2582 2490 2583 2598 2599 CONECT 2583 2582 2584 2596 2597 CONECT 2584 2583 2585 2594 2595 CONECT 2585 2584 2586 2593 CONECT 2586 2585 2587 2590 CONECT 2587 2586 2588 2589 CONECT 2588 2587 CONECT 2589 2587 CONECT 2590 2586 2591 2592 CONECT 2591 2590 CONECT 2592 2590 CONECT 2593 2585 CONECT 2594 2584 CONECT 2595 2584 CONECT 2596 2583 CONECT 2597 2583 CONECT 2598 2582 CONECT 2599 2582 CONECT 2600 2490 CONECT 2601 2489 CONECT 2602 2486 2603 2610 2614 CONECT 2603 2602 2604 2608 2609 CONECT 2604 2603 2605 2606 2607 CONECT 2605 2604 CONECT 2606 2604 CONECT 2607 2604 CONECT 2608 2603 CONECT 2609 2603 CONECT 2610 2602 2611 2612 2613 CONECT 2611 2610 CONECT 2612 2610 CONECT 2613 2610 CONECT 2614 2602 CONECT 2615 2486 CONECT 2616 2485 CONECT 2617 2482 2618 2620 2621 CONECT 2618 2617 2619 CONECT 2619 2618 CONECT 2620 2617 CONECT 2621 2617 CONECT 2622 2482 CONECT 2623 2481 CONECT 2624 2478 2625 2633 2634 CONECT 2625 2624 2626 2631 2632 CONECT 2626 2625 2627 CONECT 2627 2626 2628 2629 2630 CONECT 2628 2627 CONECT 2629 2627 CONECT 2630 2627 CONECT 2631 2625 CONECT 2632 2625 CONECT 2633 2624 CONECT 2634 2624 CONECT 2635 2478 CONECT 2636 2477 CONECT 2637 2474 2638 2643 2644 CONECT 2638 2637 2639 2640 CONECT 2639 2638 CONECT 2640 2638 2641 2642 CONECT 2641 2640 CONECT 2642 2640 CONECT 2643 2637 CONECT 2644 2637 CONECT 2645 2474 CONECT 2646 2473 CONECT 2647 2470 2648 2660 2661 CONECT 2648 2647 2649 2653 CONECT 2649 2648 2650 2659 CONECT 2650 2649 2651 2658 CONECT 2651 2650 2652 2656 CONECT 2652 2651 2653 2655 CONECT 2653 2648 2652 2654 CONECT 2654 2653 CONECT 2655 2652 CONECT 2656 2651 2657 CONECT 2657 2656 CONECT 2658 2650 CONECT 2659 2649 CONECT 2660 2647 CONECT 2661 2647 CONECT 2662 2470 CONECT 2663 2469 CONECT 2664 2466 2665 2666 2667 CONECT 2665 2664 CONECT 2666 2664 CONECT 2667 2664 CONECT 2668 2466 CONECT 2669 2465 CONECT 2670 2462 2671 2676 2677 CONECT 2671 2670 2672 2673 CONECT 2672 2671 CONECT 2673 2671 2674 2675 CONECT 2674 2673 CONECT 2675 2673 CONECT 2676 2670 CONECT 2677 2670 CONECT 2678 2462 CONECT 2679 2461 MASTER 0 0 0 0 0 0 0 0 2677 2 237 18 END
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19-mer
1lxh
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1oqp
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2asu
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PDBbind
19-mer
2jqk
RCSB PDB
PDBbind
19-mer
2k7l
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PDBbind
19-mer
2kup
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PDBbind
19-mer
2llo
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PDBbind
19-mer
2llq
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PDBbind
19-mer
2nd0
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PDBbind
19-mer
2pl9
RCSB PDB
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19-mer
2rqu
RCSB PDB
PDBbind
19-mer
2yq6
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PDBbind
19-mer
3bim
RCSB PDB
PDBbind
19-mer
3bl2
RCSB PDB
PDBbind
19-mer
3bu8
RCSB PDB
PDBbind
19-mer
3eu7
RCSB PDB
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19-mer
3h52
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3plu
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3q6s
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3qnj
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3tiw
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3tzd
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3uvu
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19-mer
3v2o
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3v7d
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3zha
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19-mer
4a1w
RCSB PDB
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19-mer
4bpi
RCSB PDB
PDBbind
19-mer
4bpj
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19-mer
4hpy
RCSB PDB
PDBbind
19-mer
4j24
RCSB PDB
PDBbind
19-mer
4mzj
RCSB PDB
PDBbind
19-mer
4mzk
RCSB PDB
PDBbind
19-mer
4oyk
RCSB PDB
PDBbind
19-mer
4qxt
RCSB PDB
PDBbind
19-mer
4tkn
RCSB PDB
PDBbind
19-mer
4xek
RCSB PDB
PDBbind
19-mer
4xgz
RCSB PDB
PDBbind
19-mer
4z8m
RCSB PDB
PDBbind
19-mer
5bjt
RCSB PDB
PDBbind
19-mer
5ekg
RCSB PDB
PDBbind
19-mer
5f67
RCSB PDB
PDBbind
19-mer
5gmi
RCSB PDB
PDBbind
19-mer
5gmj
RCSB PDB
PDBbind
19-mer
5gow
RCSB PDB
PDBbind
19-mer
5jeo
RCSB PDB
PDBbind
19-mer
5jer
RCSB PDB
PDBbind
19-mer
5k6s
RCSB PDB
PDBbind
19-mer
5mav
RCSB PDB
PDBbind
19-mer
5nxq
RCSB PDB
PDBbind
19-mer
5uw5
RCSB PDB
PDBbind
19-mer
5uwp
RCSB PDB
PDBbind
19-mer
5v2p
RCSB PDB
PDBbind
19-mer
5v2q
RCSB PDB
PDBbind
19-mer
5ybe
RCSB PDB
PDBbind
19-mer
6bvb
RCSB PDB
PDBbind
19-mer
6fkq
RCSB PDB
PDBbind
19-mer
6mil
RCSB PDB
PDBbind
19-mer
6r8i
RCSB PDB
PDBbind
19-mer
6oie
RCSB PDB
PDBbind
19-mer
6h8c
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PDBbind
19-mer
5v5o
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5j7j
RCSB PDB
PDBbind
19-mer
Entry Information
PDB ID
4qy8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
anti-MSP2 Fv fragment (mAb6D8)
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Kd=64nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Sci Rep Vol. 5: pp. 10103-10103
Ligand Properties
Formula
C
6
7
H
1
1
2
N
2
2
O
2
4
S
2
Molecular Weight
1673.870
Exact Mass
1672.770
No. of atoms
227
No. of bonds
227
Polar Surface Area
831.72
LOGP Value
-2.48 (
Computed with XLOGP3
)
-5.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 24
No. of Rotatable Bonds: 72
No. of Nitrogen and Oxygen Atoms: 46
No. of Rings: 1
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[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)CO)CCC(=O)O)C)CCSC)CO)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)[C@H](CC)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CC(=O)N)C)Cc1ccc(cc1)O)CC(=O)N
InChI String
InChI=1S/C67H110N22O24S2/c1-8-31(2)51(89-63(110)46(29-91)87-58(105)41(20-24-115-7)81-61(108)44(27-49(69)96)85-60(107)42(25-35-13-15-36(94)16-14-35)84-53(100)33(4)77-59(106)43(26-48(68)95)78-34(5)93)64(111)83-38(12-10-22-75-67(72)73)55(102)80-37(11-9-21-74-66(70)71)56(103)86-45(28-90)62(109)82-40(19-23-114-6)54(101)76-32(3)52(99)79-39(17-18-50(97)98)57(104)88-47(30-92)65(112)113/h13-16,31-33,37-47,51,90-92,94H,8-12,17-30H2,1-7H3,(H2,68,95)(H2,69,96)(H,76,101)(H,77,106)(H,78,93)(H,79,99)(H,80,102)(H,81,108)(H,82,109)(H,83,111)(H,84,100)(H,85,107)(H,86,103)(H,87,105)(H,88,104)(H,89,110)(H,97,98)(H,112,113)(H4,70,71,74)(H4,72,73,75)/p+2/t31-,32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/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):
P50498
Entrez Gene ID
NCBI Entrez Gene ID:
812660
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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