Browse entries in the PDBbind-CN Database
HEADER 4MRE_COMPLEX COMPND 4MRE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 150 ASN GLN ILE ASP LEU ASN VAL THR CYS ARG TYR ALA GLY SEQRES 2 A 150 VAL PHE HIS VAL GLU LYS ASN GLY ARG TYR SER ILE SER SEQRES 3 A 150 ARG THR GLU ALA ALA ASP LEU CYS GLN ALA PHE ASN SER SEQRES 4 A 150 THR LEU PRO THR MET ASP GLN MET LYS LEU ALA LEU SER SEQRES 5 A 150 LYS GLY PHE GLU THR CYS ARG TYR GLY PHE ILE GLU GLY SEQRES 6 A 150 ASN VAL VAL ILE PRO ARG ILE HIS PRO ASN ALA ILE CYS SEQRES 7 A 150 ALA ALA ASN HIS THR GLY VAL TYR ILE LEU VAL THR SER SEQRES 8 A 150 ASN THR SER HIS TYR ASP THR TYR CYS PHE ASN ALA SER SEQRES 9 A 150 ALA PRO PRO GLU GLU ASP CYS THR SER VAL THR ASP LEU SEQRES 10 A 150 PRO ASN SER PHE ASP GLY PRO VAL THR ILE THR ILE VAL SEQRES 11 A 150 ASN ARG ASP GLY THR ARG TYR SER LYS LYS GLY GLU TYR SEQRES 12 A 150 ARG THR HIS GLN GLU ASP ILE HET UNN A 207 19 SSBOND 1 CYS A 81 CYS A 101 SSBOND 2 CYS A 57 CYS A 123 SSBOND 3 CYS A 32 CYS A 134 ATOM 1 N ASN A 24 17.904 14.587 3.936 1.00 20.41 N ATOM 2 CA ASN A 24 16.475 14.490 4.340 1.00 19.82 C ATOM 3 C ASN A 24 15.748 13.616 3.311 1.00 18.75 C ATOM 4 O ASN A 24 15.373 14.082 2.220 1.00 17.50 O ATOM 5 CB ASN A 24 15.857 15.891 4.440 1.00 20.88 C ATOM 6 CG ASN A 24 14.510 15.900 5.144 1.00 22.44 C ATOM 7 OD1 ASN A 24 13.924 14.845 5.430 1.00 26.75 O ATOM 8 ND2 ASN A 24 14.008 17.103 5.428 1.00 22.37 N ATOM 9 HD22 ASN A 24 14.536 17.961 5.169 1.00 0.00 H ATOM 10 HD21 ASN A 24 13.089 17.183 5.909 1.00 0.00 H ATOM 11 HN3 ASN A 24 17.967 15.017 2.991 1.00 0.00 H ATOM 12 HN2 ASN A 24 18.322 13.635 3.914 1.00 0.00 H ATOM 13 HN1 ASN A 24 18.418 15.177 4.622 1.00 0.00 H ATOM 14 N GLN A 25 15.621 12.330 3.649 1.00 16.57 N ATOM 15 CA GLN A 25 15.242 11.309 2.662 1.00 15.56 C ATOM 16 C GLN A 25 14.383 10.220 3.270 1.00 13.52 C ATOM 17 O GLN A 25 14.609 9.792 4.391 1.00 14.41 O ATOM 18 CB GLN A 25 16.493 10.689 2.036 1.00 16.14 C ATOM 19 CG GLN A 25 16.278 10.168 0.619 1.00 22.44 C ATOM 20 CD GLN A 25 17.412 10.516 -0.360 1.00 28.32 C ATOM 21 OE1 GLN A 25 18.503 10.942 0.040 1.00 32.38 O ATOM 22 NE2 GLN A 25 17.157 10.313 -1.651 1.00 29.30 N ATOM 23 HE22 GLN A 25 16.227 9.954 -1.947 1.00 0.00 H ATOM 24 HE21 GLN A 25 17.888 10.514 -2.363 1.00 0.00 H ATOM 25 H GLN A 25 15.794 12.044 4.634 1.00 0.00 H ATOM 26 N ILE A 26 13.383 9.780 2.510 1.00 10.24 N ATOM 27 CA ILE A 26 12.550 8.661 2.920 1.00 9.15 C ATOM 28 C ILE A 26 12.470 7.721 1.739 1.00 8.36 C ATOM 29 O ILE A 26 12.221 8.170 0.622 1.00 9.73 O ATOM 30 CB ILE A 26 11.149 9.163 3.233 1.00 7.27 C ATOM 31 CG1 ILE A 26 11.196 10.056 4.484 1.00 9.73 C ATOM 32 CG2 ILE A 26 10.154 7.980 3.371 1.00 11.29 C ATOM 33 CD1 ILE A 26 9.860 10.643 4.917 1.00 14.66 C ATOM 34 H ILE A 26 13.193 10.248 1.601 1.00 0.00 H ATOM 35 N ASP A 27 12.732 6.443 1.958 1.00 8.41 N ATOM 36 CA ASP A 27 12.485 5.406 0.928 1.00 8.52 C ATOM 37 C ASP A 27 11.183 4.700 1.246 1.00 7.84 C ATOM 38 O ASP A 27 10.929 4.405 2.404 1.00 8.42 O ATOM 39 CB ASP A 27 13.599 4.362 0.918 1.00 10.23 C ATOM 40 CG ASP A 27 14.880 4.885 0.251 1.00 17.22 C ATOM 41 OD1 ASP A 27 14.909 6.086 -0.102 1.00 23.90 O ATOM 42 OD2 ASP A 27 15.852 4.113 0.106 1.00 25.74 O ATOM 43 H ASP A 27 13.122 6.158 2.879 1.00 0.00 H ATOM 44 N LEU A 28 10.375 4.464 0.219 1.00 6.41 N ATOM 45 CA LEU A 28 9.130 3.724 0.367 1.00 5.22 C ATOM 46 C LEU A 28 9.175 2.508 -0.512 1.00 5.22 C ATOM 47 O LEU A 28 9.111 2.617 -1.734 1.00 6.40 O ATOM 48 CB LEU A 28 7.952 4.615 -0.036 1.00 5.44 C ATOM 49 CG LEU A 28 7.801 5.881 0.794 1.00 5.71 C ATOM 50 CD1 LEU A 28 6.733 6.804 0.171 1.00 7.32 C ATOM 51 CD2 LEU A 28 7.432 5.562 2.242 1.00 5.67 C ATOM 52 H LEU A 28 10.640 4.819 -0.722 1.00 0.00 H ATOM 53 N ASN A 29 9.282 1.337 0.114 1.00 2.57 N ATOM 54 CA ASN A 29 9.340 0.083 -0.639 1.00 4.34 C ATOM 55 C ASN A 29 7.941 -0.393 -0.903 1.00 4.58 C ATOM 56 O ASN A 29 7.186 -0.629 0.045 1.00 5.31 O ATOM 57 CB ASN A 29 10.053 -1.020 0.139 1.00 4.17 C ATOM 58 CG ASN A 29 11.498 -0.674 0.507 1.00 7.32 C ATOM 59 OD1 ASN A 29 12.144 0.138 -0.153 1.00 9.56 O ATOM 60 ND2 ASN A 29 11.995 -1.275 1.593 1.00 11.16 N ATOM 61 HD22 ASN A 29 11.414 -1.956 2.122 1.00 0.00 H ATOM 62 HD21 ASN A 29 12.963 -1.062 1.908 1.00 0.00 H ATOM 63 H ASN A 29 9.325 1.313 1.153 1.00 0.00 H ATOM 64 N VAL A 30 7.585 -0.556 -2.154 1.00 4.23 N ATOM 65 CA VAL A 30 6.202 -0.891 -2.502 1.00 4.08 C ATOM 66 C VAL A 30 6.121 -2.229 -3.238 1.00 5.42 C ATOM 67 O VAL A 30 7.049 -2.649 -3.952 1.00 6.13 O ATOM 68 CB VAL A 30 5.538 0.199 -3.361 1.00 3.87 C ATOM 69 CG1 VAL A 30 5.587 1.532 -2.627 1.00 6.40 C ATOM 70 CG2 VAL A 30 6.230 0.339 -4.695 1.00 5.14 C ATOM 71 H VAL A 30 8.293 -0.446 -2.908 1.00 0.00 H ATOM 72 N THR A 31 4.997 -2.891 -3.076 1.00 4.04 N ATOM 73 CA THR A 31 4.716 -4.152 -3.764 1.00 4.01 C ATOM 74 C THR A 31 3.812 -4.010 -4.999 1.00 3.47 C ATOM 75 O THR A 31 3.233 -2.962 -5.261 1.00 3.90 O ATOM 76 CB THR A 31 4.037 -5.165 -2.811 1.00 4.02 C ATOM 77 OG1 THR A 31 2.710 -4.718 -2.499 1.00 3.69 O ATOM 78 CG2 THR A 31 4.823 -5.304 -1.526 1.00 4.01 C ATOM 79 HG1 THR A 31 2.182 -4.646 -3.334 1.00 0.00 H ATOM 80 H THR A 31 4.278 -2.503 -2.433 1.00 0.00 H ATOM 81 N CYS A 32 3.703 -5.098 -5.741 1.00 3.65 N ATOM 82 CA CYS A 32 2.594 -5.290 -6.709 1.00 4.56 C ATOM 83 C CYS A 32 1.266 -5.007 -6.047 1.00 4.12 C ATOM 84 O CYS A 32 1.129 -5.187 -4.818 1.00 4.33 O ATOM 85 CB CYS A 32 2.527 -6.752 -7.132 1.00 4.34 C ATOM 86 SG CYS A 32 4.038 -7.382 -7.934 1.00 12.21 S ATOM 87 H CYS A 32 4.419 -5.846 -5.643 1.00 0.00 H ATOM 88 N ARG A 33 0.287 -4.610 -6.847 1.00 3.65 N ATOM 89 CA ARG A 33 -1.079 -4.419 -6.371 1.00 3.24 C ATOM 90 C ARG A 33 -1.856 -5.668 -6.684 1.00 3.73 C ATOM 91 O ARG A 33 -1.679 -6.293 -7.759 1.00 4.96 O ATOM 92 CB ARG A 33 -1.743 -3.216 -7.055 1.00 3.86 C ATOM 93 CG ARG A 33 -1.423 -1.870 -6.395 1.00 3.98 C ATOM 94 CD ARG A 33 0.040 -1.460 -6.581 1.00 5.09 C ATOM 95 NE ARG A 33 0.303 -1.258 -8.005 1.00 3.40 N ATOM 96 CZ ARG A 33 1.454 -1.531 -8.611 1.00 6.93 C ATOM 97 NH1 ARG A 33 2.496 -2.030 -7.932 1.00 4.85 N ATOM 98 NH2 ARG A 33 1.553 -1.290 -9.921 1.00 8.25 N ATOM 99 HE ARG A 33 -0.468 -0.872 -8.587 1.00 0.00 H ATOM 100 HH12 ARG A 33 3.388 -2.236 -8.426 1.00 0.00 H ATOM 101 HH11 ARG A 33 2.413 -2.211 -6.911 1.00 0.00 H ATOM 102 HH22 ARG A 33 2.442 -1.494 -10.422 1.00 0.00 H ATOM 103 HH21 ARG A 33 0.742 -0.898 -10.440 1.00 0.00 H ATOM 104 H ARG A 33 0.500 -4.428 -7.849 1.00 0.00 H ATOM 105 N TYR A 34 -2.737 -6.040 -5.758 1.00 2.76 N ATOM 106 CA TYR A 34 -3.668 -7.147 -6.000 1.00 4.12 C ATOM 107 C TYR A 34 -5.047 -6.645 -5.686 1.00 2.97 C ATOM 108 O TYR A 34 -5.318 -6.267 -4.560 1.00 3.64 O ATOM 109 CB TYR A 34 -3.327 -8.335 -5.095 1.00 4.58 C ATOM 110 CG TYR A 34 -2.026 -8.946 -5.425 1.00 7.71 C ATOM 111 CD1 TYR A 34 -1.965 -10.067 -6.237 1.00 10.30 C ATOM 112 CD2 TYR A 34 -0.850 -8.400 -4.931 1.00 11.21 C ATOM 113 CE1 TYR A 34 -0.756 -10.655 -6.525 1.00 13.62 C ATOM 114 CE2 TYR A 34 0.376 -8.973 -5.232 1.00 13.61 C ATOM 115 CZ TYR A 34 0.399 -10.090 -6.043 1.00 13.39 C ATOM 116 OH TYR A 34 1.602 -10.697 -6.365 1.00 19.70 O ATOM 117 HH TYR A 34 1.431 -11.477 -6.950 1.00 0.00 H ATOM 118 H TYR A 34 -2.766 -5.537 -4.848 1.00 0.00 H ATOM 119 N ALA A 35 -5.902 -6.579 -6.704 1.00 2.99 N ATOM 120 CA ALA A 35 -7.185 -5.926 -6.515 1.00 2.11 C ATOM 121 C ALA A 35 -7.035 -4.572 -5.828 1.00 2.00 C ATOM 122 O ALA A 35 -7.839 -4.186 -4.961 1.00 2.30 O ATOM 123 CB ALA A 35 -8.162 -6.873 -5.743 1.00 3.38 C ATOM 124 H ALA A 35 -5.653 -6.991 -7.626 1.00 0.00 H ATOM 125 N GLY A 36 -6.009 -3.825 -6.241 1.00 2.00 N ATOM 126 CA GLY A 36 -5.799 -2.475 -5.725 1.00 2.69 C ATOM 127 C GLY A 36 -5.009 -2.371 -4.437 1.00 2.15 C ATOM 128 O GLY A 36 -4.626 -1.278 -4.072 1.00 2.90 O ATOM 129 H GLY A 36 -5.347 -4.212 -6.943 1.00 0.00 H ATOM 130 N VAL A 37 -4.789 -3.482 -3.748 1.00 2.33 N ATOM 131 CA VAL A 37 -4.136 -3.457 -2.455 1.00 2.00 C ATOM 132 C VAL A 37 -2.631 -3.708 -2.620 1.00 2.17 C ATOM 133 O VAL A 37 -2.209 -4.614 -3.331 1.00 2.36 O ATOM 134 CB VAL A 37 -4.738 -4.528 -1.529 1.00 3.73 C ATOM 135 CG1 VAL A 37 -4.065 -4.554 -0.155 1.00 3.18 C ATOM 136 CG2 VAL A 37 -6.277 -4.297 -1.387 1.00 3.17 C ATOM 137 H VAL A 37 -5.093 -4.394 -4.145 1.00 0.00 H ATOM 138 N PHE A 38 -1.844 -2.870 -1.950 1.00 2.75 N ATOM 139 CA PHE A 38 -0.405 -3.085 -1.923 1.00 2.42 C ATOM 140 C PHE A 38 0.163 -2.800 -0.565 1.00 2.60 C ATOM 141 O PHE A 38 -0.515 -2.274 0.342 1.00 2.21 O ATOM 142 CB PHE A 38 0.320 -2.251 -3.001 1.00 2.49 C ATOM 143 CG PHE A 38 0.086 -0.757 -2.914 1.00 4.12 C ATOM 144 CD1 PHE A 38 1.140 0.089 -2.547 1.00 6.26 C ATOM 145 CD2 PHE A 38 -1.169 -0.176 -3.212 1.00 3.64 C ATOM 146 CE1 PHE A 38 0.971 1.447 -2.509 1.00 5.81 C ATOM 147 CE2 PHE A 38 -1.326 1.208 -3.167 1.00 6.44 C ATOM 148 CZ PHE A 38 -0.262 2.010 -2.809 1.00 6.64 C ATOM 149 H PHE A 38 -2.258 -2.060 -1.445 1.00 0.00 H ATOM 150 N HIS A 39 1.427 -3.157 -0.399 1.00 2.16 N ATOM 151 CA HIS A 39 2.135 -3.025 0.878 1.00 2.53 C ATOM 152 C HIS A 39 3.229 -1.965 0.725 1.00 2.33 C ATOM 153 O HIS A 39 3.895 -1.923 -0.323 1.00 2.68 O ATOM 154 CB HIS A 39 2.750 -4.410 1.226 1.00 2.44 C ATOM 155 CG HIS A 39 3.716 -4.404 2.358 1.00 6.15 C ATOM 156 ND1 HIS A 39 5.054 -4.711 2.194 1.00 12.16 N ATOM 157 CD2 HIS A 39 3.537 -4.162 3.673 1.00 6.79 C ATOM 158 CE1 HIS A 39 5.653 -4.668 3.373 1.00 8.33 C ATOM 159 NE2 HIS A 39 4.760 -4.317 4.284 1.00 6.16 N ATOM 160 H HIS A 39 1.942 -3.550 -1.213 1.00 0.00 H ATOM 161 N VAL A 40 3.413 -1.128 1.752 1.00 2.11 N ATOM 162 CA VAL A 40 4.423 -0.075 1.756 1.00 2.92 C ATOM 163 C VAL A 40 5.233 -0.242 3.056 1.00 2.95 C ATOM 164 O VAL A 40 4.677 -0.259 4.169 1.00 4.42 O ATOM 165 CB VAL A 40 3.790 1.348 1.681 1.00 3.81 C ATOM 166 CG1 VAL A 40 4.932 2.445 1.585 1.00 5.15 C ATOM 167 CG2 VAL A 40 2.825 1.438 0.536 1.00 6.16 C ATOM 168 H VAL A 40 2.806 -1.233 2.590 1.00 0.00 H ATOM 169 N GLU A 41 6.562 -0.312 2.913 1.00 2.64 N ATOM 170 CA GLU A 41 7.496 -0.280 4.063 1.00 5.36 C ATOM 171 C GLU A 41 8.281 0.994 3.987 1.00 5.67 C ATOM 172 O GLU A 41 8.820 1.315 2.918 1.00 7.02 O ATOM 173 CB GLU A 41 8.542 -1.391 3.993 1.00 6.27 C ATOM 174 CG GLU A 41 8.098 -2.766 3.721 1.00 11.79 C ATOM 175 CD GLU A 41 9.291 -3.726 3.597 1.00 18.20 C ATOM 176 OE1 GLU A 41 10.466 -3.267 3.405 1.00 20.64 O ATOM 177 OE2 GLU A 41 9.030 -4.940 3.677 1.00 19.42 O ATOM 178 H GLU A 41 6.956 -0.392 1.954 1.00 0.00 H ATOM 179 N LYS A 42 8.406 1.708 5.099 1.00 5.82 N ATOM 180 CA LYS A 42 9.186 2.952 5.108 1.00 7.41 C ATOM 181 C LYS A 42 10.613 2.643 5.545 1.00 7.88 C ATOM 182 O LYS A 42 10.848 2.086 6.621 1.00 7.83 O ATOM 183 CB LYS A 42 8.541 3.965 6.045 1.00 7.78 C ATOM 184 CG LYS A 42 9.334 5.258 6.179 1.00 9.59 C ATOM 185 CD LYS A 42 8.658 6.140 7.200 1.00 13.61 C ATOM 186 CE LYS A 42 9.401 7.436 7.380 1.00 17.78 C ATOM 187 NZ LYS A 42 8.773 8.163 8.529 1.00 20.02 N ATOM 188 HZ1 LYS A 42 7.771 8.345 8.316 1.00 0.00 H ATOM 189 HZ2 LYS A 42 8.846 7.581 9.388 1.00 0.00 H ATOM 190 HZ3 LYS A 42 9.267 9.066 8.678 1.00 0.00 H ATOM 191 H LYS A 42 7.946 1.383 5.973 1.00 0.00 H ATOM 192 N ASN A 43 11.577 2.970 4.688 1.00 9.00 N ATOM 193 CA ASN A 43 12.995 2.701 4.982 1.00 10.76 C ATOM 194 C ASN A 43 13.326 1.241 5.338 1.00 11.91 C ATOM 195 O ASN A 43 14.302 0.973 6.037 1.00 14.63 O ATOM 196 CB ASN A 43 13.478 3.674 6.067 1.00 10.40 C ATOM 197 CG ASN A 43 13.428 5.132 5.615 1.00 10.39 C ATOM 198 OD1 ASN A 43 13.782 5.444 4.476 1.00 10.93 O ATOM 199 ND2 ASN A 43 13.024 6.020 6.515 1.00 13.75 N ATOM 200 HD22 ASN A 43 12.735 5.705 7.463 1.00 0.00 H ATOM 201 HD21 ASN A 43 12.996 7.031 6.272 1.00 0.00 H ATOM 202 H ASN A 43 11.323 3.427 3.789 1.00 0.00 H ATOM 203 N GLY A 44 12.502 0.325 4.846 1.00 11.59 N ATOM 204 CA GLY A 44 12.677 -1.119 4.998 1.00 11.44 C ATOM 205 C GLY A 44 12.639 -1.630 6.434 1.00 10.31 C ATOM 206 O GLY A 44 13.127 -2.730 6.710 1.00 10.56 O ATOM 207 H GLY A 44 11.672 0.658 4.314 1.00 0.00 H ATOM 208 N ARG A 45 12.087 -0.835 7.343 1.00 9.96 N ATOM 209 CA ARG A 45 11.980 -1.260 8.723 1.00 10.49 C ATOM 210 C ARG A 45 10.603 -0.843 9.252 1.00 9.16 C ATOM 211 O ARG A 45 9.984 0.086 8.729 1.00 8.37 O ATOM 212 CB ARG A 45 13.105 -0.648 9.556 1.00 11.69 C ATOM 213 CG ARG A 45 13.020 0.845 9.754 1.00 15.89 C ATOM 214 CD ARG A 45 14.307 1.367 10.414 1.00 23.19 C ATOM 215 NE ARG A 45 14.376 2.836 10.390 1.00 28.98 N ATOM 216 CZ ARG A 45 15.192 3.563 9.621 1.00 30.85 C ATOM 217 NH1 ARG A 45 16.043 2.983 8.777 1.00 32.48 N ATOM 218 NH2 ARG A 45 15.165 4.891 9.697 1.00 32.81 N ATOM 219 HE ARG A 45 13.735 3.353 11.026 1.00 0.00 H ATOM 220 HH12 ARG A 45 16.670 3.567 8.187 1.00 0.00 H ATOM 221 HH11 ARG A 45 16.081 1.946 8.708 1.00 0.00 H ATOM 222 HH22 ARG A 45 15.799 5.459 9.100 1.00 0.00 H ATOM 223 HH21 ARG A 45 14.510 5.361 10.354 1.00 0.00 H ATOM 224 H ARG A 45 11.729 0.100 7.062 1.00 0.00 H ATOM 225 N TYR A 46 10.115 -1.542 10.268 1.00 6.68 N ATOM 226 CA TYR A 46 8.843 -1.153 10.845 1.00 5.81 C ATOM 227 C TYR A 46 8.971 0.228 11.460 1.00 6.62 C ATOM 228 O TYR A 46 9.717 0.410 12.454 1.00 8.67 O ATOM 229 CB TYR A 46 8.432 -2.172 11.913 1.00 4.17 C ATOM 230 CG TYR A 46 8.007 -3.522 11.406 1.00 4.85 C ATOM 231 CD1 TYR A 46 6.970 -3.664 10.487 1.00 4.50 C ATOM 232 CD2 TYR A 46 8.609 -4.680 11.906 1.00 6.23 C ATOM 233 CE1 TYR A 46 6.577 -4.914 10.048 1.00 4.23 C ATOM 234 CE2 TYR A 46 8.218 -5.931 11.497 1.00 4.49 C ATOM 235 CZ TYR A 46 7.163 -6.033 10.568 1.00 5.19 C ATOM 236 OH TYR A 46 6.763 -7.273 10.138 1.00 4.87 O ATOM 237 HH TYR A 46 7.523 -7.729 9.698 1.00 0.00 H ATOM 238 H TYR A 46 10.638 -2.358 10.646 1.00 0.00 H ATOM 239 N SER A 47 8.262 1.202 10.895 1.00 5.76 N ATOM 240 CA SER A 47 8.516 2.593 11.305 1.00 5.58 C ATOM 241 C SER A 47 7.400 3.563 11.031 1.00 6.01 C ATOM 242 O SER A 47 7.618 4.770 11.143 1.00 5.49 O ATOM 243 CB SER A 47 9.825 3.091 10.678 1.00 6.64 C ATOM 244 OG SER A 47 9.725 3.089 9.278 1.00 9.31 O ATOM 245 HG SER A 47 10.575 3.412 8.887 1.00 0.00 H ATOM 246 H SER A 47 7.542 0.985 10.177 1.00 0.00 H ATOM 247 N ILE A 48 6.215 3.031 10.706 1.00 5.60 N ATOM 248 CA ILE A 48 5.037 3.840 10.406 1.00 5.51 C ATOM 249 C ILE A 48 4.016 3.753 11.531 1.00 4.88 C ATOM 250 O ILE A 48 3.638 2.687 11.927 1.00 5.83 O ATOM 251 CB ILE A 48 4.356 3.369 9.102 1.00 4.75 C ATOM 252 CG1 ILE A 48 5.370 3.378 7.933 1.00 4.30 C ATOM 253 CG2 ILE A 48 3.216 4.317 8.743 1.00 7.44 C ATOM 254 CD1 ILE A 48 4.841 2.715 6.642 1.00 3.87 C ATOM 255 H ILE A 48 6.130 1.995 10.665 1.00 0.00 H ATOM 256 N SER A 49 3.593 4.909 12.031 1.00 5.41 N ATOM 257 CA SER A 49 2.566 5.015 13.046 1.00 6.35 C ATOM 258 C SER A 49 1.214 4.971 12.374 1.00 6.79 C ATOM 259 O SER A 49 1.110 5.143 11.180 1.00 5.92 O ATOM 260 CB SER A 49 2.699 6.352 13.772 1.00 7.29 C ATOM 261 OG SER A 49 2.392 7.435 12.918 1.00 8.97 O ATOM 262 HG SER A 49 2.487 8.285 13.417 1.00 0.00 H ATOM 263 H SER A 49 4.023 5.786 11.674 1.00 0.00 H ATOM 264 N ARG A 50 0.164 4.759 13.156 1.00 6.99 N ATOM 265 CA ARG A 50 -1.172 4.705 12.572 1.00 8.02 C ATOM 266 C ARG A 50 -1.555 6.010 11.851 1.00 8.76 C ATOM 267 O ARG A 50 -2.108 5.946 10.747 1.00 8.76 O ATOM 268 CB ARG A 50 -2.177 4.336 13.667 1.00 9.35 C ATOM 269 CG ARG A 50 -3.624 4.368 13.252 1.00 12.61 C ATOM 270 CD ARG A 50 -3.925 3.397 12.206 1.00 16.46 C ATOM 271 NE ARG A 50 -4.275 2.053 12.666 1.00 21.31 N ATOM 272 CZ ARG A 50 -4.928 1.221 11.861 1.00 19.53 C ATOM 273 NH1 ARG A 50 -5.259 1.663 10.662 1.00 20.41 N ATOM 274 NH2 ARG A 50 -5.229 -0.015 12.211 1.00 8.35 N ATOM 275 HE ARG A 50 -4.012 1.748 13.625 1.00 0.00 H ATOM 276 HH12 ARG A 50 -5.771 1.043 10.002 1.00 0.00 H ATOM 277 HH11 ARG A 50 -5.008 2.631 10.377 1.00 0.00 H ATOM 278 HH22 ARG A 50 -5.741 -0.633 11.550 1.00 0.00 H ATOM 279 HH21 ARG A 50 -4.954 -0.372 13.148 1.00 0.00 H ATOM 280 H ARG A 50 0.292 4.632 14.180 1.00 0.00 H ATOM 281 N THR A 51 -1.233 7.163 12.435 1.00 8.78 N ATOM 282 CA THR A 51 -1.463 8.445 11.747 1.00 10.01 C ATOM 283 C THR A 51 -0.640 8.621 10.462 1.00 8.69 C ATOM 284 O THR A 51 -1.154 9.116 9.447 1.00 9.49 O ATOM 285 CB THR A 51 -1.246 9.665 12.650 1.00 10.40 C ATOM 286 OG1 THR A 51 0.011 9.567 13.324 1.00 13.87 O ATOM 287 CG2 THR A 51 -2.351 9.743 13.676 1.00 13.98 C ATOM 288 HG1 THR A 51 0.740 9.525 12.656 1.00 0.00 H ATOM 289 H THR A 51 -0.815 7.158 13.387 1.00 0.00 H ATOM 290 N GLU A 52 0.625 8.231 10.511 1.00 8.83 N ATOM 291 CA GLU A 52 1.461 8.345 9.336 1.00 7.42 C ATOM 292 C GLU A 52 0.957 7.428 8.206 1.00 7.69 C ATOM 293 O GLU A 52 1.055 7.772 7.041 1.00 8.03 O ATOM 294 CB GLU A 52 2.924 8.018 9.654 1.00 7.88 C ATOM 295 CG GLU A 52 3.811 8.174 8.435 1.00 11.22 C ATOM 296 CD GLU A 52 5.301 8.365 8.740 1.00 14.62 C ATOM 297 OE1 GLU A 52 5.701 8.683 9.881 1.00 21.11 O ATOM 298 OE2 GLU A 52 6.094 8.240 7.805 1.00 16.53 O ATOM 299 H GLU A 52 1.017 7.843 11.393 1.00 0.00 H ATOM 300 N ALA A 53 0.413 6.268 8.575 1.00 6.98 N ATOM 301 CA ALA A 53 -0.124 5.300 7.631 1.00 6.31 C ATOM 302 C ALA A 53 -1.256 5.894 6.811 1.00 6.37 C ATOM 303 O ALA A 53 -1.253 5.808 5.581 1.00 6.38 O ATOM 304 CB ALA A 53 -0.572 4.036 8.354 1.00 6.56 C ATOM 305 H ALA A 53 0.370 6.044 9.590 1.00 0.00 H ATOM 306 N ALA A 54 -2.202 6.527 7.495 1.00 6.78 N ATOM 307 CA ALA A 54 -3.284 7.185 6.778 1.00 6.98 C ATOM 308 C ALA A 54 -2.748 8.264 5.818 1.00 8.36 C ATOM 309 O ALA A 54 -3.193 8.344 4.684 1.00 9.57 O ATOM 310 CB ALA A 54 -4.243 7.774 7.752 1.00 8.12 C ATOM 311 H ALA A 54 -2.170 6.552 8.534 1.00 0.00 H ATOM 312 N ASP A 55 -1.771 9.054 6.273 1.00 7.88 N ATOM 313 CA ASP A 55 -1.209 10.144 5.422 1.00 7.80 C ATOM 314 C ASP A 55 -0.456 9.572 4.240 1.00 7.13 C ATOM 315 O ASP A 55 -0.483 10.124 3.120 1.00 6.67 O ATOM 316 CB ASP A 55 -0.286 11.028 6.247 1.00 8.98 C ATOM 317 CG ASP A 55 -1.038 11.953 7.175 1.00 12.58 C ATOM 318 OD1 ASP A 55 -2.286 12.042 7.091 1.00 15.68 O ATOM 319 OD2 ASP A 55 -0.361 12.553 8.030 1.00 16.48 O ATOM 320 H ASP A 55 -1.397 8.908 7.232 1.00 0.00 H ATOM 321 N LEU A 56 0.233 8.468 4.476 1.00 6.44 N ATOM 322 CA LEU A 56 0.983 7.844 3.428 1.00 6.57 C ATOM 323 C LEU A 56 0.056 7.292 2.346 1.00 5.56 C ATOM 324 O LEU A 56 0.287 7.520 1.144 1.00 6.20 O ATOM 325 CB LEU A 56 1.860 6.771 4.033 1.00 5.78 C ATOM 326 CG LEU A 56 2.810 6.066 3.110 1.00 7.47 C ATOM 327 CD1 LEU A 56 3.599 7.117 2.284 1.00 10.19 C ATOM 328 CD2 LEU A 56 3.761 5.216 3.944 1.00 10.50 C ATOM 329 H LEU A 56 0.230 8.051 5.429 1.00 0.00 H ATOM 330 N CYS A 57 -1.015 6.581 2.745 1.00 5.85 N ATOM 331 CA CYS A 57 -1.926 6.083 1.732 1.00 6.73 C ATOM 332 C CYS A 57 -2.548 7.232 0.961 1.00 6.76 C ATOM 333 O CYS A 57 -2.627 7.177 -0.273 1.00 7.35 O ATOM 334 CB CYS A 57 -2.992 5.169 2.315 1.00 7.93 C ATOM 335 SG CYS A 57 -2.308 3.594 2.949 1.00 9.77 S ATOM 336 H CYS A 57 -1.185 6.394 3.754 1.00 0.00 H ATOM 337 N GLN A 58 -2.889 8.309 1.684 1.00 6.51 N ATOM 338 CA GLN A 58 -3.458 9.484 1.022 1.00 7.88 C ATOM 339 C GLN A 58 -2.516 10.055 -0.057 1.00 7.34 C ATOM 340 O GLN A 58 -2.970 10.460 -1.131 1.00 8.42 O ATOM 341 CB GLN A 58 -3.887 10.543 2.044 1.00 8.45 C ATOM 342 CG GLN A 58 -4.283 11.898 1.457 1.00 12.62 C ATOM 343 CD GLN A 58 -5.538 11.892 0.606 1.00 18.95 C ATOM 344 OE1 GLN A 58 -5.702 12.762 -0.266 1.00 23.46 O ATOM 345 NE2 GLN A 58 -6.452 10.944 0.860 1.00 18.95 N ATOM 346 HE22 GLN A 58 -6.274 10.235 1.599 1.00 0.00 H ATOM 347 HE21 GLN A 58 -7.339 10.918 0.318 1.00 0.00 H ATOM 348 H GLN A 58 -2.749 8.309 2.715 1.00 0.00 H ATOM 349 N ALA A 59 -1.221 10.067 0.229 1.00 6.47 N ATOM 350 CA ALA A 59 -0.227 10.518 -0.760 1.00 6.59 C ATOM 351 C ALA A 59 -0.179 9.685 -2.039 1.00 6.37 C ATOM 352 O ALA A 59 0.172 10.176 -3.119 1.00 7.30 O ATOM 353 CB ALA A 59 1.171 10.582 -0.120 1.00 6.93 C ATOM 354 H ALA A 59 -0.902 9.753 1.168 1.00 0.00 H ATOM 355 N PHE A 60 -0.529 8.397 -1.899 1.00 4.95 N ATOM 356 CA PHE A 60 -0.680 7.480 -3.022 1.00 6.69 C ATOM 357 C PHE A 60 -2.098 7.504 -3.623 1.00 6.46 C ATOM 358 O PHE A 60 -2.482 6.603 -4.386 1.00 7.67 O ATOM 359 CB PHE A 60 -0.373 6.057 -2.550 1.00 5.98 C ATOM 360 CG PHE A 60 1.091 5.740 -2.440 1.00 4.78 C ATOM 361 CD1 PHE A 60 1.879 5.632 -3.602 1.00 6.33 C ATOM 362 CD2 PHE A 60 1.687 5.482 -1.189 1.00 7.74 C ATOM 363 CE1 PHE A 60 3.253 5.329 -3.516 1.00 6.57 C ATOM 364 CE2 PHE A 60 3.080 5.172 -1.111 1.00 7.31 C ATOM 365 CZ PHE A 60 3.844 5.095 -2.278 1.00 7.75 C ATOM 366 H PHE A 60 -0.701 8.034 -0.940 1.00 0.00 H ATOM 367 N ASN A 61 -2.886 8.530 -3.294 1.00 6.90 N ATOM 368 CA ASN A 61 -4.290 8.609 -3.703 1.00 8.65 C ATOM 369 C ASN A 61 -5.005 7.315 -3.380 1.00 7.75 C ATOM 370 O ASN A 61 -5.802 6.797 -4.156 1.00 9.31 O ATOM 371 CB ASN A 61 -4.415 8.906 -5.192 1.00 8.53 C ATOM 372 CG ASN A 61 -5.819 9.341 -5.561 1.00 14.01 C ATOM 373 OD1 ASN A 61 -6.473 10.098 -4.813 1.00 20.62 O ATOM 374 ND2 ASN A 61 -6.302 8.855 -6.701 1.00 17.08 N ATOM 375 HD22 ASN A 61 -5.716 8.228 -7.289 1.00 0.00 H ATOM 376 HD21 ASN A 61 -7.265 9.102 -7.005 1.00 0.00 H ATOM 377 H ASN A 61 -2.487 9.304 -2.725 1.00 0.00 H ATOM 378 N SER A 62 -4.712 6.820 -2.190 1.00 6.67 N ATOM 379 CA SER A 62 -5.229 5.540 -1.728 1.00 6.45 C ATOM 380 C SER A 62 -5.790 5.670 -0.308 1.00 6.12 C ATOM 381 O SER A 62 -5.670 6.721 0.351 1.00 7.71 O ATOM 382 CB SER A 62 -4.059 4.542 -1.774 1.00 6.03 C ATOM 383 OG SER A 62 -3.627 4.332 -3.080 1.00 8.58 O ATOM 384 HG SER A 62 -3.325 5.191 -3.469 1.00 0.00 H ATOM 385 H SER A 62 -4.089 7.365 -1.560 1.00 0.00 H ATOM 386 N THR A 63 -6.400 4.602 0.176 1.00 5.72 N ATOM 387 CA THR A 63 -6.915 4.573 1.528 1.00 6.03 C ATOM 388 C THR A 63 -6.425 3.304 2.224 1.00 4.41 C ATOM 389 O THR A 63 -5.968 2.358 1.577 1.00 5.46 O ATOM 390 CB THR A 63 -8.436 4.515 1.533 1.00 7.16 C ATOM 391 OG1 THR A 63 -8.869 3.530 0.608 1.00 9.35 O ATOM 392 CG2 THR A 63 -9.029 5.877 1.156 1.00 10.25 C ATOM 393 HG1 THR A 63 -8.502 2.649 0.870 1.00 0.00 H ATOM 394 H THR A 63 -6.512 3.763 -0.429 1.00 0.00 H ATOM 395 N LEU A 64 -6.506 3.270 3.543 1.00 4.30 N ATOM 396 CA LEU A 64 -6.213 2.013 4.232 1.00 3.84 C ATOM 397 C LEU A 64 -7.271 0.994 3.850 1.00 3.80 C ATOM 398 O LEU A 64 -8.464 1.329 3.856 1.00 5.67 O ATOM 399 CB LEU A 64 -6.209 2.230 5.735 1.00 4.21 C ATOM 400 CG LEU A 64 -4.927 2.804 6.337 1.00 8.18 C ATOM 401 CD1 LEU A 64 -3.723 1.985 6.002 1.00 11.73 C ATOM 402 CD2 LEU A 64 -4.741 4.176 5.934 1.00 13.37 C ATOM 403 H LEU A 64 -6.773 4.120 4.080 1.00 0.00 H ATOM 404 N PRO A 65 -6.851 -0.247 3.512 1.00 4.12 N ATOM 405 CA PRO A 65 -7.871 -1.167 3.027 1.00 4.42 C ATOM 406 C PRO A 65 -8.825 -1.615 4.121 1.00 4.59 C ATOM 407 O PRO A 65 -8.458 -1.696 5.298 1.00 4.73 O ATOM 408 CB PRO A 65 -7.059 -2.387 2.557 1.00 4.77 C ATOM 409 CG PRO A 65 -5.640 -1.919 2.421 1.00 5.09 C ATOM 410 CD PRO A 65 -5.481 -0.766 3.363 1.00 4.97 C ATOM 411 N THR A 66 -10.049 -1.923 3.737 1.00 3.73 N ATOM 412 CA THR A 66 -10.909 -2.640 4.672 1.00 5.01 C ATOM 413 C THR A 66 -10.510 -4.108 4.685 1.00 4.63 C ATOM 414 O THR A 66 -9.800 -4.581 3.806 1.00 4.66 O ATOM 415 CB THR A 66 -12.374 -2.576 4.286 1.00 5.00 C ATOM 416 OG1 THR A 66 -12.547 -3.254 3.040 1.00 6.54 O ATOM 417 CG2 THR A 66 -12.829 -1.144 4.172 1.00 6.83 C ATOM 418 HG1 THR A 66 -13.501 -3.219 2.776 1.00 0.00 H ATOM 419 H THR A 66 -10.392 -1.661 2.791 1.00 0.00 H ATOM 420 N MET A 67 -11.000 -4.832 5.680 1.00 5.35 N ATOM 421 CA MET A 67 -10.750 -6.246 5.753 1.00 4.71 C ATOM 422 C MET A 67 -11.346 -6.963 4.511 1.00 3.41 C ATOM 423 O MET A 67 -10.704 -7.874 3.967 1.00 4.31 O ATOM 424 CB MET A 67 -11.282 -6.819 7.085 1.00 5.20 C ATOM 425 CG MET A 67 -11.125 -8.302 7.222 1.00 7.74 C ATOM 426 SD MET A 67 -9.411 -8.822 7.243 1.00 14.15 S ATOM 427 CE MET A 67 -8.904 -8.343 8.858 1.00 14.29 C ATOM 428 H MET A 67 -11.572 -4.372 6.417 1.00 0.00 H ATOM 429 N ASP A 68 -12.523 -6.543 4.040 1.00 4.82 N ATOM 430 CA ASP A 68 -13.111 -7.145 2.851 1.00 5.88 C ATOM 431 C ASP A 68 -12.210 -6.898 1.639 1.00 4.95 C ATOM 432 O ASP A 68 -11.969 -7.821 0.867 1.00 5.24 O ATOM 433 CB ASP A 68 -14.500 -6.531 2.612 1.00 7.15 C ATOM 434 CG ASP A 68 -15.317 -7.275 1.566 1.00 12.51 C ATOM 435 OD1 ASP A 68 -15.214 -6.912 0.377 1.00 15.47 O ATOM 436 OD2 ASP A 68 -16.136 -8.162 1.929 1.00 20.64 O ATOM 437 H ASP A 68 -13.027 -5.776 4.529 1.00 0.00 H ATOM 438 N GLN A 69 -11.703 -5.666 1.475 1.00 5.27 N ATOM 439 CA GLN A 69 -10.751 -5.419 0.362 1.00 3.74 C ATOM 440 C GLN A 69 -9.481 -6.258 0.458 1.00 3.27 C ATOM 441 O GLN A 69 -8.984 -6.769 -0.556 1.00 3.34 O ATOM 442 CB GLN A 69 -10.367 -3.940 0.321 1.00 3.38 C ATOM 443 CG GLN A 69 -11.550 -3.075 -0.085 1.00 4.60 C ATOM 444 CD GLN A 69 -11.348 -1.595 0.169 1.00 4.48 C ATOM 445 OE1 GLN A 69 -10.565 -1.171 1.013 1.00 5.24 O ATOM 446 NE2 GLN A 69 -12.126 -0.782 -0.559 1.00 8.92 N ATOM 447 HE22 GLN A 69 -12.777 -1.180 -1.265 1.00 0.00 H ATOM 448 HE21 GLN A 69 -12.078 0.247 -0.418 1.00 0.00 H ATOM 449 H GLN A 69 -11.973 -4.895 2.118 1.00 0.00 H ATOM 450 N MET A 70 -8.984 -6.437 1.680 1.00 3.52 N ATOM 451 CA MET A 70 -7.778 -7.253 1.887 1.00 3.22 C ATOM 452 C MET A 70 -8.023 -8.730 1.573 1.00 3.80 C ATOM 453 O MET A 70 -7.191 -9.408 0.954 1.00 2.87 O ATOM 454 CB MET A 70 -7.272 -7.082 3.331 1.00 4.63 C ATOM 455 CG MET A 70 -6.062 -7.902 3.657 1.00 5.35 C ATOM 456 SD MET A 70 -4.585 -7.614 2.617 1.00 8.50 S ATOM 457 CE MET A 70 -3.779 -6.291 3.473 1.00 9.91 C ATOM 458 H MET A 70 -9.453 -5.995 2.496 1.00 0.00 H ATOM 459 N LYS A 71 -9.207 -9.233 1.943 1.00 4.08 N ATOM 460 CA LYS A 71 -9.506 -10.639 1.643 1.00 4.56 C ATOM 461 C LYS A 71 -9.645 -10.914 0.153 1.00 3.46 C ATOM 462 O LYS A 71 -9.191 -11.942 -0.317 1.00 5.70 O ATOM 463 CB LYS A 71 -10.766 -11.053 2.392 1.00 4.74 C ATOM 464 CG LYS A 71 -10.487 -11.313 3.889 1.00 5.54 C ATOM 465 CD LYS A 71 -11.746 -11.601 4.672 1.00 12.53 C ATOM 466 CE LYS A 71 -11.381 -11.847 6.158 1.00 15.79 C ATOM 467 NZ LYS A 71 -12.612 -12.136 6.945 1.00 19.09 N ATOM 468 HZ1 LYS A 71 -13.261 -11.326 6.881 1.00 0.00 H ATOM 469 HZ2 LYS A 71 -13.076 -12.984 6.562 1.00 0.00 H ATOM 470 HZ3 LYS A 71 -12.356 -12.299 7.940 1.00 0.00 H ATOM 471 H LYS A 71 -9.904 -8.638 2.435 1.00 0.00 H ATOM 472 N LEU A 72 -10.188 -9.958 -0.608 1.00 4.08 N ATOM 473 CA LEU A 72 -10.246 -10.100 -2.052 1.00 4.82 C ATOM 474 C LEU A 72 -8.817 -10.067 -2.645 1.00 3.97 C ATOM 475 O LEU A 72 -8.461 -10.875 -3.520 1.00 4.45 O ATOM 476 CB LEU A 72 -11.150 -9.020 -2.680 1.00 6.06 C ATOM 477 CG LEU A 72 -11.360 -9.281 -4.183 1.00 9.29 C ATOM 478 CD1 LEU A 72 -12.104 -10.614 -4.392 1.00 10.84 C ATOM 479 CD2 LEU A 72 -12.136 -8.131 -4.871 1.00 9.63 C ATOM 480 H LEU A 72 -10.574 -9.102 -0.160 1.00 0.00 H ATOM 481 N ALA A 73 -7.985 -9.179 -2.112 1.00 2.89 N ATOM 482 CA ALA A 73 -6.588 -9.124 -2.596 1.00 2.24 C ATOM 483 C ALA A 73 -5.900 -10.455 -2.354 1.00 3.11 C ATOM 484 O ALA A 73 -5.202 -10.988 -3.247 1.00 4.31 O ATOM 485 CB ALA A 73 -5.827 -8.014 -1.910 1.00 2.72 C ATOM 486 H ALA A 73 -8.311 -8.532 -1.366 1.00 0.00 H ATOM 487 N LEU A 74 -6.075 -10.989 -1.139 1.00 3.26 N ATOM 488 CA LEU A 74 -5.528 -12.306 -0.802 1.00 5.68 C ATOM 489 C LEU A 74 -5.948 -13.374 -1.802 1.00 6.36 C ATOM 490 O LEU A 74 -5.117 -14.143 -2.312 1.00 7.12 O ATOM 491 CB LEU A 74 -5.921 -12.689 0.629 1.00 5.61 C ATOM 492 CG LEU A 74 -5.545 -14.117 1.057 1.00 9.35 C ATOM 493 CD1 LEU A 74 -4.100 -14.135 1.355 1.00 13.15 C ATOM 494 CD2 LEU A 74 -6.397 -14.481 2.289 1.00 14.66 C ATOM 495 H LEU A 74 -6.609 -10.459 -0.421 1.00 0.00 H ATOM 496 N SER A 75 -7.232 -13.375 -2.149 1.00 5.90 N ATOM 497 CA SER A 75 -7.757 -14.341 -3.121 1.00 7.65 C ATOM 498 C SER A 75 -7.142 -14.262 -4.515 1.00 8.49 C ATOM 499 O SER A 75 -7.216 -15.242 -5.288 1.00 10.23 O ATOM 500 CB SER A 75 -9.287 -14.245 -3.186 1.00 7.97 C ATOM 501 OG SER A 75 -9.676 -13.212 -4.060 1.00 10.16 O ATOM 502 HG SER A 75 -9.311 -12.351 -3.734 1.00 0.00 H ATOM 503 H SER A 75 -7.876 -12.678 -1.723 1.00 0.00 H ATOM 504 N LYS A 76 -6.549 -13.106 -4.836 1.00 7.31 N ATOM 505 CA LYS A 76 -5.934 -12.828 -6.128 1.00 7.71 C ATOM 506 C LYS A 76 -4.434 -13.052 -6.099 1.00 7.54 C ATOM 507 O LYS A 76 -3.753 -12.864 -7.125 1.00 9.58 O ATOM 508 CB LYS A 76 -6.177 -11.366 -6.576 1.00 8.62 C ATOM 509 CG LYS A 76 -7.627 -10.909 -6.661 1.00 12.77 C ATOM 510 CD LYS A 76 -8.394 -11.716 -7.661 1.00 16.30 C ATOM 511 CE LYS A 76 -9.830 -11.190 -7.805 1.00 20.12 C ATOM 512 NZ LYS A 76 -10.541 -11.986 -8.841 1.00 22.36 N ATOM 513 HZ1 LYS A 76 -10.043 -11.895 -9.749 1.00 0.00 H ATOM 514 HZ2 LYS A 76 -10.562 -12.986 -8.555 1.00 0.00 H ATOM 515 HZ3 LYS A 76 -11.514 -11.632 -8.941 1.00 0.00 H ATOM 516 H LYS A 76 -6.525 -12.356 -4.116 1.00 0.00 H ATOM 517 N GLY A 77 -3.897 -13.428 -4.942 1.00 6.52 N ATOM 518 CA GLY A 77 -2.484 -13.833 -4.903 1.00 6.61 C ATOM 519 C GLY A 77 -1.621 -12.997 -3.962 1.00 5.92 C ATOM 520 O GLY A 77 -0.395 -13.166 -3.939 1.00 7.44 O ATOM 521 H GLY A 77 -4.470 -13.436 -4.074 1.00 0.00 H ATOM 522 N PHE A 78 -2.239 -12.088 -3.199 1.00 5.05 N ATOM 523 CA PHE A 78 -1.428 -11.219 -2.326 1.00 3.58 C ATOM 524 C PHE A 78 -0.994 -11.908 -1.051 1.00 4.24 C ATOM 525 O PHE A 78 -1.838 -12.357 -0.267 1.00 4.15 O ATOM 526 CB PHE A 78 -2.264 -9.999 -1.937 1.00 3.77 C ATOM 527 CG PHE A 78 -1.511 -8.876 -1.269 1.00 4.17 C ATOM 528 CD1 PHE A 78 -0.203 -8.524 -1.636 1.00 3.96 C ATOM 529 CD2 PHE A 78 -2.146 -8.114 -0.297 1.00 5.24 C ATOM 530 CE1 PHE A 78 0.441 -7.434 -1.061 1.00 3.95 C ATOM 531 CE2 PHE A 78 -1.484 -7.034 0.313 1.00 5.04 C ATOM 532 CZ PHE A 78 -0.204 -6.688 -0.062 1.00 5.20 C ATOM 533 H PHE A 78 -3.275 -11.996 -3.221 1.00 0.00 H ATOM 534 N GLU A 79 0.310 -11.928 -0.808 1.00 4.54 N ATOM 535 CA GLU A 79 0.797 -12.290 0.513 1.00 4.95 C ATOM 536 C GLU A 79 2.082 -11.521 0.793 1.00 5.11 C ATOM 537 O GLU A 79 2.780 -11.130 -0.136 1.00 4.78 O ATOM 538 CB GLU A 79 0.999 -13.803 0.643 1.00 6.85 C ATOM 539 CG GLU A 79 2.143 -14.398 -0.134 1.00 8.61 C ATOM 540 CD GLU A 79 2.285 -15.916 0.097 1.00 12.47 C ATOM 541 OE1 GLU A 79 1.849 -16.483 1.140 1.00 10.48 O ATOM 542 OE2 GLU A 79 2.864 -16.533 -0.814 1.00 16.13 O ATOM 543 H GLU A 79 0.984 -11.685 -1.562 1.00 0.00 H ATOM 544 N THR A 80 2.338 -11.270 2.069 1.00 4.58 N ATOM 545 CA THR A 80 3.619 -10.662 2.497 1.00 5.34 C ATOM 546 C THR A 80 4.068 -11.383 3.736 1.00 5.04 C ATOM 547 O THR A 80 3.366 -12.249 4.256 1.00 4.95 O ATOM 548 CB THR A 80 3.523 -9.161 2.870 1.00 6.36 C ATOM 549 OG1 THR A 80 2.923 -9.044 4.159 1.00 6.09 O ATOM 550 CG2 THR A 80 2.727 -8.350 1.820 1.00 5.26 C ATOM 551 HG1 THR A 80 2.858 -8.087 4.406 1.00 0.00 H ATOM 552 H THR A 80 1.623 -11.505 2.786 1.00 0.00 H ATOM 553 N CYS A 81 5.236 -11.004 4.255 1.00 6.17 N ATOM 554 CA CYS A 81 5.732 -11.544 5.511 1.00 8.35 C ATOM 555 C CYS A 81 5.915 -10.408 6.517 1.00 6.50 C ATOM 556 O CYS A 81 6.783 -10.477 7.406 1.00 7.84 O ATOM 557 CB CYS A 81 7.052 -12.297 5.278 1.00 10.04 C ATOM 558 SG CYS A 81 6.886 -14.027 4.586 1.00 25.62 S ATOM 559 H CYS A 81 5.810 -10.301 3.747 1.00 0.00 H ATOM 560 N ARG A 82 5.107 -9.363 6.370 1.00 4.63 N ATOM 561 CA ARG A 82 5.259 -8.176 7.219 1.00 4.35 C ATOM 562 C ARG A 82 3.933 -7.676 7.779 1.00 3.84 C ATOM 563 O ARG A 82 2.948 -7.583 7.059 1.00 5.72 O ATOM 564 CB ARG A 82 5.801 -7.025 6.350 1.00 5.41 C ATOM 565 CG ARG A 82 7.191 -7.239 5.734 1.00 8.43 C ATOM 566 CD ARG A 82 8.301 -6.999 6.753 1.00 8.71 C ATOM 567 NE ARG A 82 8.417 -5.566 7.090 1.00 8.90 N ATOM 568 CZ ARG A 82 9.336 -5.065 7.900 1.00 9.34 C ATOM 569 NH1 ARG A 82 9.371 -3.751 8.128 1.00 12.49 N ATOM 570 NH2 ARG A 82 10.243 -5.875 8.457 1.00 11.68 N ATOM 571 HE ARG A 82 7.733 -4.909 6.664 1.00 0.00 H ATOM 572 HH12 ARG A 82 10.091 -3.353 8.764 1.00 0.00 H ATOM 573 HH11 ARG A 82 8.678 -3.125 7.670 1.00 0.00 H ATOM 574 HH22 ARG A 82 10.967 -5.485 9.094 1.00 0.00 H ATOM 575 HH21 ARG A 82 10.224 -6.895 8.253 1.00 0.00 H ATOM 576 H ARG A 82 4.360 -9.387 5.647 1.00 0.00 H ATOM 577 N TYR A 83 3.952 -7.267 9.028 1.00 2.73 N ATOM 578 CA TYR A 83 2.793 -6.663 9.680 1.00 3.68 C ATOM 579 C TYR A 83 2.554 -5.292 9.098 1.00 4.24 C ATOM 580 O TYR A 83 3.503 -4.487 8.917 1.00 4.79 O ATOM 581 CB TYR A 83 3.084 -6.474 11.179 1.00 3.34 C ATOM 582 CG TYR A 83 3.127 -7.750 11.976 1.00 4.95 C ATOM 583 CD1 TYR A 83 1.980 -8.513 12.131 1.00 8.15 C ATOM 584 CD2 TYR A 83 4.312 -8.148 12.598 1.00 11.11 C ATOM 585 CE1 TYR A 83 2.009 -9.691 12.895 1.00 12.58 C ATOM 586 CE2 TYR A 83 4.352 -9.303 13.365 1.00 14.22 C ATOM 587 CZ TYR A 83 3.197 -10.059 13.513 1.00 16.12 C ATOM 588 OH TYR A 83 3.231 -11.229 14.254 1.00 19.69 O ATOM 589 HH TYR A 83 2.331 -11.641 14.259 1.00 0.00 H ATOM 590 H TYR A 83 4.829 -7.378 9.575 1.00 0.00 H ATOM 591 N GLY A 84 1.301 -4.996 8.792 1.00 2.83 N ATOM 592 CA GLY A 84 0.969 -3.669 8.326 1.00 2.30 C ATOM 593 C GLY A 84 -0.453 -3.271 8.667 1.00 3.21 C ATOM 594 O GLY A 84 -1.320 -4.116 8.770 1.00 3.15 O ATOM 595 H GLY A 84 0.557 -5.717 8.887 1.00 0.00 H ATOM 596 N PHE A 85 -0.668 -1.970 8.772 1.00 2.08 N ATOM 597 CA PHE A 85 -2.009 -1.459 9.092 1.00 2.46 C ATOM 598 C PHE A 85 -2.980 -1.667 7.949 1.00 3.67 C ATOM 599 O PHE A 85 -2.643 -1.493 6.765 1.00 4.35 O ATOM 600 CB PHE A 85 -1.935 0.052 9.310 1.00 3.49 C ATOM 601 CG PHE A 85 -1.145 0.447 10.506 1.00 4.00 C ATOM 602 CD1 PHE A 85 -1.634 0.194 11.782 1.00 5.30 C ATOM 603 CD2 PHE A 85 0.103 1.061 10.353 1.00 8.24 C ATOM 604 CE1 PHE A 85 -0.889 0.620 12.916 1.00 8.65 C ATOM 605 CE2 PHE A 85 0.824 1.454 11.472 1.00 7.21 C ATOM 606 CZ PHE A 85 0.343 1.221 12.729 1.00 8.34 C ATOM 607 H PHE A 85 0.117 -1.304 8.627 1.00 0.00 H ATOM 608 N ILE A 86 -4.195 -2.039 8.321 1.00 3.24 N ATOM 609 CA ILE A 86 -5.363 -1.847 7.459 1.00 4.63 C ATOM 610 C ILE A 86 -6.306 -0.979 8.285 1.00 5.45 C ATOM 611 O ILE A 86 -5.895 -0.453 9.315 1.00 6.08 O ATOM 612 CB ILE A 86 -6.033 -3.156 7.016 1.00 4.11 C ATOM 613 CG1 ILE A 86 -6.504 -4.030 8.191 1.00 6.37 C ATOM 614 CG2 ILE A 86 -5.061 -3.940 6.151 1.00 4.57 C ATOM 615 CD1 ILE A 86 -7.478 -5.150 7.732 1.00 6.18 C ATOM 616 H ILE A 86 -4.324 -2.481 9.254 1.00 0.00 H ATOM 617 N GLU A 87 -7.518 -0.745 7.800 1.00 5.56 N ATOM 618 CA GLU A 87 -8.465 0.046 8.586 1.00 9.10 C ATOM 619 C GLU A 87 -8.808 -0.813 9.805 1.00 9.68 C ATOM 620 O GLU A 87 -9.366 -1.922 9.678 1.00 14.43 O ATOM 621 CB GLU A 87 -9.710 0.366 7.768 1.00 8.13 C ATOM 622 CG GLU A 87 -10.660 1.342 8.469 1.00 15.45 C ATOM 623 CD GLU A 87 -10.085 2.769 8.632 1.00 21.08 C ATOM 624 OE1 GLU A 87 -9.353 3.267 7.743 1.00 23.49 O ATOM 625 OE2 GLU A 87 -10.372 3.415 9.673 1.00 26.15 O ATOM 626 H GLU A 87 -7.793 -1.120 6.870 1.00 0.00 H ATOM 627 N GLY A 88 -8.412 -0.342 10.967 1.00 10.34 N ATOM 628 CA GLY A 88 -8.825 -0.983 12.196 1.00 9.08 C ATOM 629 C GLY A 88 -7.964 -2.077 12.788 1.00 7.01 C ATOM 630 O GLY A 88 -8.041 -2.349 13.968 1.00 7.22 O ATOM 631 H GLY A 88 -7.798 0.497 11.003 1.00 0.00 H ATOM 632 N ASN A 89 -7.118 -2.719 11.993 1.00 5.73 N ATOM 633 CA ASN A 89 -6.261 -3.783 12.532 1.00 3.55 C ATOM 634 C ASN A 89 -4.867 -3.760 11.929 1.00 3.19 C ATOM 635 O ASN A 89 -4.629 -2.973 11.031 1.00 3.65 O ATOM 636 CB ASN A 89 -6.893 -5.163 12.262 1.00 4.73 C ATOM 637 CG ASN A 89 -8.087 -5.458 13.174 1.00 7.78 C ATOM 638 OD1 ASN A 89 -9.241 -5.310 12.765 1.00 10.34 O ATOM 639 ND2 ASN A 89 -7.814 -5.880 14.392 1.00 8.30 N ATOM 640 HD22 ASN A 89 -6.825 -5.990 14.695 1.00 0.00 H ATOM 641 HD21 ASN A 89 -8.587 -6.103 15.051 1.00 0.00 H ATOM 642 H ASN A 89 -7.061 -2.468 10.985 1.00 0.00 H ATOM 643 N VAL A 90 -3.973 -4.598 12.455 1.00 3.21 N ATOM 644 CA VAL A 90 -2.640 -4.830 11.869 1.00 2.66 C ATOM 645 C VAL A 90 -2.654 -6.290 11.431 1.00 2.28 C ATOM 646 O VAL A 90 -2.986 -7.156 12.220 1.00 4.34 O ATOM 647 CB VAL A 90 -1.547 -4.607 12.939 1.00 2.56 C ATOM 648 CG1 VAL A 90 -0.168 -4.954 12.366 1.00 4.83 C ATOM 649 CG2 VAL A 90 -1.595 -3.179 13.413 1.00 6.29 C ATOM 650 H VAL A 90 -4.229 -5.113 13.321 1.00 0.00 H ATOM 651 N VAL A 91 -2.281 -6.558 10.183 1.00 3.12 N ATOM 652 CA VAL A 91 -2.443 -7.879 9.578 1.00 2.72 C ATOM 653 C VAL A 91 -1.242 -8.287 8.750 1.00 3.20 C ATOM 654 O VAL A 91 -0.417 -7.472 8.386 1.00 3.72 O ATOM 655 CB VAL A 91 -3.723 -7.910 8.684 1.00 2.46 C ATOM 656 CG1 VAL A 91 -4.938 -7.477 9.547 1.00 3.39 C ATOM 657 CG2 VAL A 91 -3.558 -7.030 7.450 1.00 2.94 C ATOM 658 H VAL A 91 -1.857 -5.797 9.615 1.00 0.00 H ATOM 659 N ILE A 92 -1.167 -9.584 8.448 1.00 3.44 N ATOM 660 CA ILE A 92 -0.291 -10.134 7.421 1.00 3.31 C ATOM 661 C ILE A 92 -1.165 -11.043 6.538 1.00 3.92 C ATOM 662 O ILE A 92 -1.725 -12.036 7.030 1.00 4.94 O ATOM 663 CB ILE A 92 0.829 -10.998 8.014 1.00 3.04 C ATOM 664 CG1 ILE A 92 1.638 -10.179 9.032 1.00 5.38 C ATOM 665 CG2 ILE A 92 1.758 -11.420 6.878 1.00 5.89 C ATOM 666 CD1 ILE A 92 2.876 -10.871 9.564 1.00 7.13 C ATOM 667 H ILE A 92 -1.771 -10.244 8.978 1.00 0.00 H ATOM 668 N PRO A 93 -1.256 -10.743 5.237 1.00 3.56 N ATOM 669 CA PRO A 93 -1.939 -11.680 4.352 1.00 2.90 C ATOM 670 C PRO A 93 -1.028 -12.849 4.008 1.00 3.09 C ATOM 671 O PRO A 93 0.121 -12.614 3.596 1.00 3.77 O ATOM 672 CB PRO A 93 -2.240 -10.830 3.104 1.00 3.56 C ATOM 673 CG PRO A 93 -1.121 -9.787 3.057 1.00 3.18 C ATOM 674 CD PRO A 93 -0.785 -9.542 4.514 1.00 3.88 C ATOM 675 N ARG A 94 -1.523 -14.075 4.174 1.00 4.43 N ATOM 676 CA ARG A 94 -0.680 -15.276 3.941 1.00 5.24 C ATOM 677 C ARG A 94 -1.423 -16.236 3.031 1.00 5.62 C ATOM 678 O ARG A 94 -2.592 -16.561 3.273 1.00 5.68 O ATOM 679 CB ARG A 94 -0.350 -15.957 5.263 1.00 6.25 C ATOM 680 CG ARG A 94 0.535 -15.159 6.230 1.00 4.71 C ATOM 681 CD ARG A 94 1.891 -14.858 5.594 1.00 4.80 C ATOM 682 NE ARG A 94 2.540 -16.071 5.073 1.00 7.06 N ATOM 683 CZ ARG A 94 3.520 -16.066 4.178 1.00 7.38 C ATOM 684 NH1 ARG A 94 4.018 -14.920 3.702 1.00 9.36 N ATOM 685 NH2 ARG A 94 4.055 -17.226 3.773 1.00 11.01 N ATOM 686 HE ARG A 94 2.210 -16.991 5.429 1.00 0.00 H ATOM 687 HH12 ARG A 94 4.786 -14.938 3.001 1.00 0.00 H ATOM 688 HH11 ARG A 94 3.637 -14.010 4.033 1.00 0.00 H ATOM 689 HH22 ARG A 94 4.823 -17.228 3.072 1.00 0.00 H ATOM 690 HH21 ARG A 94 3.702 -18.125 4.160 1.00 0.00 H ATOM 691 H ARG A 94 -2.513 -14.193 4.471 1.00 0.00 H ATOM 692 N ILE A 95 -0.757 -16.689 1.980 1.00 5.11 N ATOM 693 CA ILE A 95 -1.309 -17.737 1.141 1.00 6.68 C ATOM 694 C ILE A 95 -0.670 -19.083 1.507 1.00 7.45 C ATOM 695 O ILE A 95 -1.391 -20.038 1.816 1.00 8.18 O ATOM 696 CB ILE A 95 -1.100 -17.412 -0.344 1.00 6.31 C ATOM 697 CG1 ILE A 95 -1.991 -16.201 -0.697 1.00 7.80 C ATOM 698 CG2 ILE A 95 -1.429 -18.662 -1.222 1.00 7.45 C ATOM 699 CD1 ILE A 95 -1.786 -15.642 -2.104 1.00 9.60 C ATOM 700 H ILE A 95 0.175 -16.288 1.752 1.00 0.00 H ATOM 701 N HIS A 96 0.669 -19.125 1.531 1.00 8.30 N ATOM 702 CA HIS A 96 1.391 -20.348 1.853 1.00 9.39 C ATOM 703 C HIS A 96 1.815 -20.361 3.316 1.00 10.31 C ATOM 704 O HIS A 96 2.311 -19.341 3.833 1.00 11.75 O ATOM 705 CB HIS A 96 2.601 -20.470 0.920 1.00 9.95 C ATOM 706 CG HIS A 96 2.238 -20.403 -0.523 1.00 13.18 C ATOM 707 ND1 HIS A 96 2.347 -19.247 -1.263 1.00 15.62 N ATOM 708 CD2 HIS A 96 1.697 -21.330 -1.352 1.00 16.07 C ATOM 709 CE1 HIS A 96 1.909 -19.468 -2.491 1.00 18.88 C ATOM 710 NE2 HIS A 96 1.507 -20.723 -2.572 1.00 16.65 N ATOM 711 H HIS A 96 1.207 -18.262 1.314 1.00 0.00 H ATOM 712 N PRO A 97 1.613 -21.480 4.017 1.00 10.27 N ATOM 713 CA PRO A 97 2.081 -21.524 5.393 1.00 10.93 C ATOM 714 C PRO A 97 3.606 -21.477 5.436 1.00 12.25 C ATOM 715 O PRO A 97 4.281 -22.200 4.698 1.00 13.78 O ATOM 716 CB PRO A 97 1.534 -22.863 5.945 1.00 11.50 C ATOM 717 CG PRO A 97 1.156 -23.620 4.796 1.00 10.44 C ATOM 718 CD PRO A 97 0.931 -22.713 3.617 1.00 10.21 C ATOM 719 N ASN A 98 4.143 -20.585 6.258 1.00 13.22 N ATOM 720 CA ASN A 98 5.571 -20.488 6.436 1.00 14.26 C ATOM 721 C ASN A 98 5.777 -20.264 7.911 1.00 15.01 C ATOM 722 O ASN A 98 5.081 -19.457 8.553 1.00 13.85 O ATOM 723 CB ASN A 98 6.127 -19.338 5.572 1.00 14.58 C ATOM 724 CG ASN A 98 7.622 -19.110 5.748 1.00 17.41 C ATOM 725 OD1 ASN A 98 8.194 -19.421 6.775 1.00 22.19 O ATOM 726 ND2 ASN A 98 8.244 -18.525 4.737 1.00 20.70 N ATOM 727 HD22 ASN A 98 7.716 -18.276 3.876 1.00 0.00 H ATOM 728 HD21 ASN A 98 9.260 -18.315 4.803 1.00 0.00 H ATOM 729 H ASN A 98 3.520 -19.941 6.786 1.00 0.00 H ATOM 730 N ALA A 99 6.730 -21.002 8.465 1.00 15.92 N ATOM 731 CA ALA A 99 6.916 -21.028 9.905 1.00 17.80 C ATOM 732 C ALA A 99 7.366 -19.700 10.474 1.00 18.27 C ATOM 733 O ALA A 99 7.069 -19.403 11.628 1.00 19.49 O ATOM 734 CB ALA A 99 7.907 -22.114 10.278 1.00 18.01 C ATOM 735 H ALA A 99 7.354 -21.571 7.858 1.00 0.00 H ATOM 736 N ILE A 100 8.073 -18.915 9.668 1.00 19.39 N ATOM 737 CA ILE A 100 8.565 -17.615 10.138 1.00 19.99 C ATOM 738 C ILE A 100 7.702 -16.416 9.728 1.00 19.26 C ATOM 739 O ILE A 100 8.075 -15.279 10.037 1.00 19.99 O ATOM 740 CB ILE A 100 10.056 -17.366 9.764 1.00 20.55 C ATOM 741 CG1 ILE A 100 10.231 -17.197 8.251 1.00 21.87 C ATOM 742 CG2 ILE A 100 10.944 -18.458 10.375 1.00 22.43 C ATOM 743 CD1 ILE A 100 11.629 -16.723 7.824 1.00 24.29 C ATOM 744 H ILE A 100 8.279 -19.224 8.697 1.00 0.00 H ATOM 745 N CYS A 101 6.555 -16.668 9.076 1.00 17.51 N ATOM 746 CA CYS A 101 5.594 -15.605 8.718 1.00 16.54 C ATOM 747 C CYS A 101 4.248 -15.901 9.391 1.00 15.75 C ATOM 748 O CYS A 101 3.596 -16.890 9.062 1.00 15.10 O ATOM 749 CB CYS A 101 5.434 -15.431 7.165 1.00 17.42 C ATOM 750 SG CYS A 101 7.038 -15.342 6.219 1.00 17.62 S ATOM 751 H CYS A 101 6.335 -17.650 8.813 1.00 0.00 H ATOM 752 N ALA A 102 3.841 -15.064 10.349 1.00 14.88 N ATOM 753 CA ALA A 102 2.511 -15.164 10.971 1.00 14.44 C ATOM 754 C ALA A 102 2.264 -16.524 11.639 1.00 15.35 C ATOM 755 O ALA A 102 1.147 -17.058 11.612 1.00 16.16 O ATOM 756 CB ALA A 102 1.418 -14.844 9.937 1.00 14.00 C ATOM 757 H ALA A 102 4.488 -14.314 10.667 1.00 0.00 H ATOM 758 N ALA A 103 3.336 -17.083 12.210 1.00 16.10 N ATOM 759 CA ALA A 103 3.264 -18.333 12.994 1.00 16.84 C ATOM 760 C ALA A 103 2.585 -19.451 12.192 1.00 16.18 C ATOM 761 O ALA A 103 1.721 -20.176 12.714 1.00 17.01 O ATOM 762 CB ALA A 103 2.535 -18.083 14.333 1.00 16.86 C ATOM 763 H ALA A 103 4.260 -16.618 12.097 1.00 0.00 H ATOM 764 N ASN A 104 2.964 -19.545 10.915 1.00 15.95 N ATOM 765 CA ASN A 104 2.506 -20.587 9.991 1.00 14.83 C ATOM 766 C ASN A 104 1.028 -20.539 9.592 1.00 14.50 C ATOM 767 O ASN A 104 0.509 -21.488 8.978 1.00 15.03 O ATOM 768 CB ASN A 104 2.847 -21.984 10.538 1.00 15.38 C ATOM 769 CG ASN A 104 3.089 -22.986 9.446 1.00 15.40 C ATOM 770 OD1 ASN A 104 3.864 -22.752 8.521 1.00 16.01 O ATOM 771 ND2 ASN A 104 2.457 -24.154 9.576 1.00 21.34 N ATOM 772 HD22 ASN A 104 1.809 -24.309 10.375 1.00 0.00 H ATOM 773 HD21 ASN A 104 2.612 -24.910 8.878 1.00 0.00 H ATOM 774 H ASN A 104 3.628 -18.832 10.552 1.00 0.00 H ATOM 775 N HIS A 105 0.351 -19.439 9.898 1.00 12.99 N ATOM 776 CA HIS A 105 -1.052 -19.311 9.492 1.00 11.89 C ATOM 777 C HIS A 105 -1.205 -18.973 8.017 1.00 10.99 C ATOM 778 O HIS A 105 -0.273 -18.476 7.378 1.00 10.62 O ATOM 779 CB HIS A 105 -1.737 -18.224 10.323 1.00 13.22 C ATOM 780 CG HIS A 105 -1.983 -18.611 11.746 1.00 16.36 C ATOM 781 ND1 HIS A 105 -1.096 -18.322 12.760 1.00 20.88 N ATOM 782 CD2 HIS A 105 -3.022 -19.254 12.329 1.00 21.27 C ATOM 783 CE1 HIS A 105 -1.578 -18.764 13.906 1.00 22.02 C ATOM 784 NE2 HIS A 105 -2.744 -19.337 13.673 1.00 22.44 N ATOM 785 H HIS A 105 0.814 -18.671 10.424 1.00 0.00 H ATOM 786 N THR A 106 -2.391 -19.274 7.489 1.00 9.55 N ATOM 787 CA THR A 106 -2.860 -18.785 6.184 1.00 9.53 C ATOM 788 C THR A 106 -4.088 -17.910 6.355 1.00 8.43 C ATOM 789 O THR A 106 -4.771 -17.931 7.388 1.00 8.77 O ATOM 790 CB THR A 106 -3.214 -19.942 5.207 1.00 10.74 C ATOM 791 OG1 THR A 106 -4.310 -20.693 5.746 1.00 12.52 O ATOM 792 CG2 THR A 106 -1.994 -20.872 5.008 1.00 11.94 C ATOM 793 HG1 THR A 106 -5.094 -20.098 5.856 1.00 0.00 H ATOM 794 H THR A 106 -3.024 -19.893 8.034 1.00 0.00 H ATOM 795 N GLY A 107 -4.382 -17.142 5.322 1.00 7.08 N ATOM 796 CA GLY A 107 -5.507 -16.225 5.353 1.00 7.00 C ATOM 797 C GLY A 107 -5.000 -14.869 5.774 1.00 6.72 C ATOM 798 O GLY A 107 -3.776 -14.643 5.850 1.00 6.76 O ATOM 799 H GLY A 107 -3.794 -17.195 4.466 1.00 0.00 H ATOM 800 N VAL A 108 -5.922 -13.957 6.044 1.00 6.67 N ATOM 801 CA VAL A 108 -5.520 -12.683 6.594 1.00 7.02 C ATOM 802 C VAL A 108 -5.275 -12.839 8.084 1.00 6.51 C ATOM 803 O VAL A 108 -6.230 -12.971 8.880 1.00 9.95 O ATOM 804 CB VAL A 108 -6.513 -11.555 6.304 1.00 5.58 C ATOM 805 CG1 VAL A 108 -5.964 -10.260 6.877 1.00 7.75 C ATOM 806 CG2 VAL A 108 -6.738 -11.389 4.818 1.00 7.43 C ATOM 807 H VAL A 108 -6.926 -14.156 5.862 1.00 0.00 H ATOM 808 N TYR A 109 -4.011 -12.871 8.478 1.00 6.18 N ATOM 809 CA TYR A 109 -3.677 -13.084 9.889 1.00 4.65 C ATOM 810 C TYR A 109 -3.735 -11.754 10.599 1.00 5.35 C ATOM 811 O TYR A 109 -3.096 -10.798 10.179 1.00 4.91 O ATOM 812 CB TYR A 109 -2.261 -13.675 10.030 1.00 6.31 C ATOM 813 CG TYR A 109 -1.776 -13.787 11.452 1.00 8.27 C ATOM 814 CD1 TYR A 109 -2.213 -14.809 12.275 1.00 13.65 C ATOM 815 CD2 TYR A 109 -0.881 -12.847 11.974 1.00 12.26 C ATOM 816 CE1 TYR A 109 -1.770 -14.891 13.619 1.00 17.14 C ATOM 817 CE2 TYR A 109 -0.418 -12.933 13.290 1.00 17.77 C ATOM 818 CZ TYR A 109 -0.856 -13.959 14.099 1.00 19.04 C ATOM 819 OH TYR A 109 -0.391 -14.014 15.404 1.00 21.53 O ATOM 820 HH TYR A 109 -0.787 -14.797 15.862 1.00 0.00 H ATOM 821 H TYR A 109 -3.250 -12.744 7.781 1.00 0.00 H ATOM 822 N ILE A 110 -4.488 -11.720 11.685 1.00 3.88 N ATOM 823 CA ILE A 110 -4.665 -10.518 12.507 1.00 5.68 C ATOM 824 C ILE A 110 -3.744 -10.543 13.709 1.00 5.96 C ATOM 825 O ILE A 110 -3.810 -11.465 14.536 1.00 6.26 O ATOM 826 CB ILE A 110 -6.129 -10.353 12.967 1.00 5.96 C ATOM 827 CG1 ILE A 110 -7.047 -10.277 11.756 1.00 7.98 C ATOM 828 CG2 ILE A 110 -6.288 -9.092 13.793 1.00 8.41 C ATOM 829 CD1 ILE A 110 -8.520 -10.363 12.098 1.00 11.47 C ATOM 830 H ILE A 110 -4.980 -12.590 11.971 1.00 0.00 H ATOM 831 N LEU A 111 -2.885 -9.531 13.840 1.00 5.18 N ATOM 832 CA LEU A 111 -2.076 -9.364 15.049 1.00 6.45 C ATOM 833 C LEU A 111 -2.986 -9.101 16.249 1.00 6.75 C ATOM 834 O LEU A 111 -3.809 -8.179 16.230 1.00 8.12 O ATOM 835 CB LEU A 111 -1.137 -8.173 14.877 1.00 7.31 C ATOM 836 CG LEU A 111 -0.187 -7.889 16.057 1.00 8.89 C ATOM 837 CD1 LEU A 111 0.747 -9.067 16.337 1.00 8.92 C ATOM 838 CD2 LEU A 111 0.649 -6.656 15.687 1.00 10.96 C ATOM 839 H LEU A 111 -2.788 -8.844 13.065 1.00 0.00 H ATOM 840 N VAL A 112 -2.840 -9.931 17.275 1.00 5.87 N ATOM 841 CA VAL A 112 -3.676 -9.769 18.477 1.00 6.14 C ATOM 842 C VAL A 112 -2.946 -9.031 19.579 1.00 6.12 C ATOM 843 O VAL A 112 -3.450 -8.034 20.105 1.00 6.76 O ATOM 844 CB VAL A 112 -4.206 -11.143 18.967 1.00 6.68 C ATOM 845 CG1 VAL A 112 -4.970 -10.972 20.249 1.00 7.93 C ATOM 846 CG2 VAL A 112 -5.124 -11.788 17.897 1.00 7.36 C ATOM 847 H VAL A 112 -2.136 -10.695 17.230 1.00 0.00 H ATOM 848 N THR A 113 -1.734 -9.494 19.882 1.00 6.39 N ATOM 849 CA THR A 113 -1.032 -8.974 21.047 1.00 6.73 C ATOM 850 C THR A 113 0.338 -8.434 20.691 1.00 5.11 C ATOM 851 O THR A 113 1.214 -9.181 20.253 1.00 6.02 O ATOM 852 CB THR A 113 -0.862 -10.072 22.143 1.00 7.50 C ATOM 853 OG1 THR A 113 -2.150 -10.591 22.526 1.00 11.55 O ATOM 854 CG2 THR A 113 -0.206 -9.459 23.357 1.00 9.15 C ATOM 855 HG1 THR A 113 -2.031 -11.286 23.221 1.00 0.00 H ATOM 856 H THR A 113 -1.291 -10.224 19.289 1.00 0.00 H ATOM 857 N SER A 114 0.528 -7.140 20.881 1.00 4.21 N ATOM 858 CA SER A 114 1.846 -6.514 20.740 1.00 3.24 C ATOM 859 C SER A 114 2.015 -5.381 21.717 1.00 3.71 C ATOM 860 O SER A 114 1.043 -4.707 22.055 1.00 5.81 O ATOM 861 CB SER A 114 1.951 -5.982 19.314 1.00 5.47 C ATOM 862 OG SER A 114 3.174 -5.306 19.133 1.00 4.79 O ATOM 863 HG SER A 114 3.923 -5.931 19.301 1.00 0.00 H ATOM 864 H SER A 114 -0.285 -6.546 21.139 1.00 0.00 H ATOM 865 N ASN A 115 3.262 -5.122 22.133 1.00 2.63 N ATOM 866 CA ASN A 115 3.517 -3.953 22.956 1.00 2.85 C ATOM 867 C ASN A 115 3.579 -2.682 22.168 1.00 2.98 C ATOM 868 O ASN A 115 3.461 -1.616 22.739 1.00 4.61 O ATOM 869 CB ASN A 115 4.891 -4.048 23.634 1.00 2.89 C ATOM 870 CG ASN A 115 4.920 -4.954 24.835 1.00 3.34 C ATOM 871 OD1 ASN A 115 3.873 -5.297 25.461 1.00 5.06 O ATOM 872 ND2 ASN A 115 6.157 -5.315 25.239 1.00 3.96 N ATOM 873 HD22 ASN A 115 6.991 -5.012 24.696 1.00 0.00 H ATOM 874 HD21 ASN A 115 6.276 -5.896 26.093 1.00 0.00 H ATOM 875 H ASN A 115 4.043 -5.755 21.868 1.00 0.00 H ATOM 876 N THR A 116 3.911 -2.802 20.880 1.00 3.19 N ATOM 877 CA THR A 116 4.432 -1.682 20.090 1.00 2.94 C ATOM 878 C THR A 116 3.470 -1.164 19.018 1.00 3.02 C ATOM 879 O THR A 116 2.502 -1.825 18.649 1.00 3.77 O ATOM 880 CB THR A 116 5.748 -2.077 19.441 1.00 3.01 C ATOM 881 OG1 THR A 116 5.517 -3.214 18.628 1.00 3.67 O ATOM 882 CG2 THR A 116 6.847 -2.385 20.535 1.00 4.99 C ATOM 883 HG1 THR A 116 4.848 -2.991 17.933 1.00 0.00 H ATOM 884 H THR A 116 3.795 -3.727 20.419 1.00 0.00 H ATOM 885 N SER A 117 3.790 0.029 18.504 1.00 3.21 N ATOM 886 CA SER A 117 2.834 0.827 17.747 1.00 4.18 C ATOM 887 C SER A 117 3.177 1.111 16.290 1.00 4.61 C ATOM 888 O SER A 117 2.357 1.707 15.583 1.00 4.75 O ATOM 889 CB SER A 117 2.628 2.155 18.489 1.00 5.69 C ATOM 890 OG SER A 117 3.835 2.909 18.459 1.00 6.26 O ATOM 891 HG SER A 117 4.085 3.092 17.519 1.00 0.00 H ATOM 892 H SER A 117 4.751 0.399 18.649 1.00 0.00 H ATOM 893 N HIS A 118 4.381 0.717 15.863 1.00 3.64 N ATOM 894 CA HIS A 118 4.885 1.071 14.514 1.00 3.70 C ATOM 895 C HIS A 118 5.018 -0.126 13.624 1.00 3.55 C ATOM 896 O HIS A 118 5.675 -1.115 13.985 1.00 3.62 O ATOM 897 CB HIS A 118 6.217 1.831 14.608 1.00 3.78 C ATOM 898 CG HIS A 118 6.047 3.263 15.037 1.00 4.80 C ATOM 899 ND1 HIS A 118 5.208 3.657 16.072 1.00 8.15 N ATOM 900 CD2 HIS A 118 6.581 4.405 14.548 1.00 11.39 C ATOM 901 CE1 HIS A 118 5.264 4.967 16.211 1.00 8.96 C ATOM 902 NE2 HIS A 118 6.068 5.447 15.285 1.00 11.72 N ATOM 903 H HIS A 118 4.980 0.147 16.494 1.00 0.00 H ATOM 904 N TYR A 119 4.408 -0.054 12.435 1.00 2.87 N ATOM 905 CA TYR A 119 4.436 -1.216 11.555 1.00 3.04 C ATOM 906 C TYR A 119 4.678 -0.759 10.138 1.00 3.64 C ATOM 907 O TYR A 119 5.138 0.367 9.953 1.00 5.08 O ATOM 908 CB TYR A 119 3.102 -1.985 11.684 1.00 3.36 C ATOM 909 CG TYR A 119 2.861 -2.513 13.093 1.00 2.87 C ATOM 910 CD1 TYR A 119 3.469 -3.695 13.531 1.00 2.64 C ATOM 911 CD2 TYR A 119 2.049 -1.817 13.993 1.00 2.21 C ATOM 912 CE1 TYR A 119 3.263 -4.191 14.805 1.00 3.39 C ATOM 913 CE2 TYR A 119 1.811 -2.316 15.281 1.00 2.33 C ATOM 914 CZ TYR A 119 2.425 -3.491 15.664 1.00 4.10 C ATOM 915 OH TYR A 119 2.244 -4.033 16.914 1.00 5.98 O ATOM 916 HH TYR A 119 2.551 -3.388 17.600 1.00 0.00 H ATOM 917 H TYR A 119 3.921 0.818 12.143 1.00 0.00 H ATOM 918 N ASP A 120 4.427 -1.608 9.151 1.00 2.36 N ATOM 919 CA ASP A 120 4.332 -1.118 7.768 1.00 2.28 C ATOM 920 C ASP A 120 2.880 -0.716 7.527 1.00 2.94 C ATOM 921 O ASP A 120 2.063 -0.675 8.475 1.00 2.63 O ATOM 922 CB ASP A 120 4.688 -2.244 6.805 1.00 2.00 C ATOM 923 CG ASP A 120 6.134 -2.710 6.930 1.00 4.30 C ATOM 924 OD1 ASP A 120 6.986 -2.015 7.569 1.00 7.20 O ATOM 925 OD2 ASP A 120 6.397 -3.794 6.354 1.00 7.84 O ATOM 926 H ASP A 120 4.297 -2.620 9.355 1.00 0.00 H ATOM 927 N THR A 121 2.545 -0.366 6.284 1.00 3.25 N ATOM 928 CA THR A 121 1.131 -0.159 5.961 1.00 3.38 C ATOM 929 C THR A 121 0.688 -0.836 4.714 1.00 4.50 C ATOM 930 O THR A 121 1.459 -1.089 3.817 1.00 3.54 O ATOM 931 CB THR A 121 0.742 1.349 5.930 1.00 5.55 C ATOM 932 OG1 THR A 121 -0.692 1.489 5.934 1.00 5.06 O ATOM 933 CG2 THR A 121 1.295 2.061 4.716 1.00 5.65 C ATOM 934 HG1 THR A 121 -1.069 1.039 5.137 1.00 0.00 H ATOM 935 H THR A 121 3.277 -0.242 5.555 1.00 0.00 H ATOM 936 N TYR A 122 -0.585 -1.174 4.683 1.00 2.70 N ATOM 937 CA TYR A 122 -1.233 -1.533 3.412 1.00 2.72 C ATOM 938 C TYR A 122 -2.029 -0.363 2.920 1.00 2.97 C ATOM 939 O TYR A 122 -2.501 0.441 3.690 1.00 3.90 O ATOM 940 CB TYR A 122 -2.115 -2.772 3.589 1.00 2.58 C ATOM 941 CG TYR A 122 -1.302 -3.936 4.007 1.00 2.00 C ATOM 942 CD1 TYR A 122 -0.650 -4.708 3.056 1.00 2.77 C ATOM 943 CD2 TYR A 122 -1.210 -4.297 5.331 1.00 2.00 C ATOM 944 CE1 TYR A 122 0.134 -5.774 3.446 1.00 2.31 C ATOM 945 CE2 TYR A 122 -0.421 -5.383 5.747 1.00 3.12 C ATOM 946 CZ TYR A 122 0.243 -6.104 4.786 1.00 2.83 C ATOM 947 OH TYR A 122 1.057 -7.139 5.167 1.00 5.82 O ATOM 948 HH TYR A 122 1.774 -6.794 5.755 1.00 0.00 H ATOM 949 H TYR A 122 -1.137 -1.187 5.565 1.00 0.00 H ATOM 950 N CYS A 123 -2.166 -0.260 1.612 1.00 2.81 N ATOM 951 CA CYS A 123 -2.923 0.809 0.972 1.00 3.80 C ATOM 952 C CYS A 123 -3.788 0.211 -0.133 1.00 3.11 C ATOM 953 O CYS A 123 -3.490 -0.841 -0.686 1.00 4.93 O ATOM 954 CB CYS A 123 -1.994 1.870 0.351 1.00 3.94 C ATOM 955 SG CYS A 123 -0.963 2.785 1.548 1.00 9.40 S ATOM 956 H CYS A 123 -1.712 -0.975 1.009 1.00 0.00 H ATOM 957 N PHE A 124 -4.857 0.907 -0.470 1.00 2.52 N ATOM 958 CA PHE A 124 -5.793 0.467 -1.476 1.00 2.36 C ATOM 959 C PHE A 124 -6.063 1.578 -2.466 1.00 2.00 C ATOM 960 O PHE A 124 -6.521 2.652 -2.076 1.00 3.48 O ATOM 961 CB PHE A 124 -7.128 0.083 -0.830 1.00 2.00 C ATOM 962 CG PHE A 124 -8.205 -0.086 -1.824 1.00 3.45 C ATOM 963 CD1 PHE A 124 -8.120 -1.102 -2.769 1.00 3.48 C ATOM 964 CD2 PHE A 124 -9.282 0.790 -1.856 1.00 5.92 C ATOM 965 CE1 PHE A 124 -9.093 -1.259 -3.739 1.00 4.74 C ATOM 966 CE2 PHE A 124 -10.273 0.646 -2.869 1.00 5.17 C ATOM 967 CZ PHE A 124 -10.176 -0.385 -3.800 1.00 5.88 C ATOM 968 H PHE A 124 -5.033 1.812 0.011 1.00 0.00 H ATOM 969 N ASN A 125 -5.743 1.304 -3.742 1.00 3.04 N ATOM 970 CA ASN A 125 -6.018 2.240 -4.824 1.00 4.27 C ATOM 971 C ASN A 125 -7.093 1.696 -5.742 1.00 4.17 C ATOM 972 O ASN A 125 -6.877 0.687 -6.434 1.00 4.19 O ATOM 973 CB ASN A 125 -4.746 2.564 -5.606 1.00 5.29 C ATOM 974 CG ASN A 125 -4.958 3.781 -6.490 1.00 9.42 C ATOM 975 OD1 ASN A 125 -5.883 3.805 -7.284 1.00 13.68 O ATOM 976 ND2 ASN A 125 -4.146 4.817 -6.313 1.00 12.31 N ATOM 977 HD22 ASN A 125 -3.368 4.756 -5.625 1.00 0.00 H ATOM 978 HD21 ASN A 125 -4.288 5.689 -6.862 1.00 0.00 H ATOM 979 H ASN A 125 -5.285 0.397 -3.964 1.00 0.00 H ATOM 980 N ALA A 126 -8.241 2.370 -5.717 1.00 5.59 N ATOM 981 CA ALA A 126 -9.411 1.913 -6.464 1.00 7.33 C ATOM 982 C ALA A 126 -9.224 1.956 -7.978 1.00 7.90 C ATOM 983 O ALA A 126 -9.952 1.261 -8.698 1.00 9.38 O ATOM 984 CB ALA A 126 -10.617 2.724 -6.075 1.00 7.98 C ATOM 985 H ALA A 126 -8.307 3.241 -5.153 1.00 0.00 H ATOM 986 N SER A 127 -8.251 2.717 -8.468 1.00 7.65 N ATOM 987 CA SER A 127 -8.032 2.826 -9.926 1.00 8.71 C ATOM 988 C SER A 127 -7.069 1.783 -10.488 1.00 8.16 C ATOM 989 O SER A 127 -6.805 1.749 -11.691 1.00 9.47 O ATOM 990 CB SER A 127 -7.508 4.208 -10.285 1.00 10.65 C ATOM 991 OG SER A 127 -8.414 5.187 -9.835 1.00 16.57 O ATOM 992 HG SER A 127 -8.071 6.085 -10.070 1.00 0.00 H ATOM 993 H SER A 127 -7.635 3.243 -7.816 1.00 0.00 H ATOM 994 N ALA A 128 -6.559 0.921 -9.621 1.00 6.66 N ATOM 995 CA ALA A 128 -5.669 -0.156 -10.026 1.00 6.17 C ATOM 996 C ALA A 128 -6.431 -1.220 -10.837 1.00 7.29 C ATOM 997 O ALA A 128 -7.659 -1.294 -10.777 1.00 6.97 O ATOM 998 CB ALA A 128 -4.999 -0.776 -8.773 1.00 6.98 C ATOM 999 H ALA A 128 -6.804 1.018 -8.615 1.00 0.00 H ATOM 1000 N PRO A 129 -5.732 -2.069 -11.587 1.00 7.33 N ATOM 1001 CA PRO A 129 -6.381 -3.213 -12.210 1.00 6.73 C ATOM 1002 C PRO A 129 -7.039 -4.188 -11.225 1.00 7.03 C ATOM 1003 O PRO A 129 -6.718 -4.209 -10.030 1.00 6.73 O ATOM 1004 CB PRO A 129 -5.222 -3.931 -12.930 1.00 8.37 C ATOM 1005 CG PRO A 129 -4.187 -2.873 -13.101 1.00 8.54 C ATOM 1006 CD PRO A 129 -4.284 -2.026 -11.865 1.00 8.26 C ATOM 1007 N PRO A 130 -7.989 -4.979 -11.714 1.00 6.00 N ATOM 1008 CA PRO A 130 -8.786 -5.780 -10.771 1.00 6.02 C ATOM 1009 C PRO A 130 -8.064 -6.952 -10.150 1.00 5.66 C ATOM 1010 O PRO A 130 -8.447 -7.420 -9.070 1.00 5.84 O ATOM 1011 CB PRO A 130 -9.976 -6.283 -11.621 1.00 6.58 C ATOM 1012 CG PRO A 130 -9.487 -6.122 -13.107 1.00 4.01 C ATOM 1013 CD PRO A 130 -8.546 -4.945 -13.075 1.00 6.98 C ATOM 1014 N GLU A 131 -7.027 -7.448 -10.836 1.00 7.06 N ATOM 1015 CA GLU A 131 -6.344 -8.623 -10.339 1.00 6.93 C ATOM 1016 C GLU A 131 -4.903 -8.280 -10.002 1.00 6.40 C ATOM 1017 O GLU A 131 -4.686 -7.302 -9.320 1.00 6.50 O ATOM 1018 CB GLU A 131 -6.518 -9.789 -11.300 1.00 8.70 C ATOM 1019 CG GLU A 131 -8.032 -10.042 -11.434 1.00 13.27 C ATOM 1020 CD GLU A 131 -8.426 -11.301 -12.139 1.00 21.30 C ATOM 1021 OE1 GLU A 131 -8.077 -11.441 -13.330 1.00 23.52 O ATOM 1022 OE2 GLU A 131 -9.139 -12.127 -11.497 1.00 25.94 O ATOM 1023 H GLU A 131 -6.715 -6.993 -11.718 1.00 0.00 H ATOM 1024 N GLU A 132 -3.912 -9.055 -10.433 1.00 7.18 N ATOM 1025 CA GLU A 132 -2.541 -8.735 -10.044 1.00 9.12 C ATOM 1026 C GLU A 132 -1.933 -7.720 -10.990 1.00 8.66 C ATOM 1027 O GLU A 132 -2.008 -7.887 -12.210 1.00 10.02 O ATOM 1028 CB GLU A 132 -1.706 -10.015 -10.042 1.00 10.85 C ATOM 1029 CG GLU A 132 -0.209 -9.850 -9.789 1.00 15.24 C ATOM 1030 CD GLU A 132 0.544 -11.179 -9.869 1.00 21.42 C ATOM 1031 OE1 GLU A 132 0.543 -11.815 -10.946 1.00 26.18 O ATOM 1032 OE2 GLU A 132 1.130 -11.589 -8.848 1.00 26.08 O ATOM 1033 H GLU A 132 -4.110 -9.877 -11.038 1.00 0.00 H ATOM 1034 N ASP A 133 -1.355 -6.661 -10.428 1.00 6.34 N ATOM 1035 CA ASP A 133 -0.641 -5.660 -11.215 1.00 6.83 C ATOM 1036 C ASP A 133 0.786 -5.535 -10.690 1.00 7.18 C ATOM 1037 O ASP A 133 1.037 -4.980 -9.618 1.00 6.13 O ATOM 1038 CB ASP A 133 -1.374 -4.310 -11.155 1.00 6.53 C ATOM 1039 CG ASP A 133 -0.673 -3.235 -11.927 1.00 8.10 C ATOM 1040 OD1 ASP A 133 0.239 -3.585 -12.725 1.00 10.44 O ATOM 1041 OD2 ASP A 133 -1.028 -2.044 -11.750 1.00 11.25 O ATOM 1042 H ASP A 133 -1.414 -6.543 -9.396 1.00 0.00 H ATOM 1043 N CYS A 134 1.729 -6.091 -11.445 1.00 8.52 N ATOM 1044 CA CYS A 134 3.116 -6.082 -10.986 1.00 10.61 C ATOM 1045 C CYS A 134 3.953 -5.094 -11.761 1.00 9.87 C ATOM 1046 O CYS A 134 5.186 -5.170 -11.767 1.00 10.96 O ATOM 1047 CB CYS A 134 3.709 -7.478 -11.039 1.00 11.36 C ATOM 1048 SG CYS A 134 3.273 -8.473 -9.559 1.00 20.06 S ATOM 1049 H CYS A 134 1.481 -6.529 -12.355 1.00 0.00 H ATOM 1050 N THR A 135 3.307 -4.122 -12.372 1.00 9.30 N ATOM 1051 CA THR A 135 4.050 -3.020 -12.972 1.00 8.93 C ATOM 1052 C THR A 135 4.550 -2.134 -11.838 1.00 8.72 C ATOM 1053 O THR A 135 4.057 -2.242 -10.679 1.00 9.15 O ATOM 1054 CB THR A 135 3.216 -2.238 -13.947 1.00 9.53 C ATOM 1055 OG1 THR A 135 2.067 -1.730 -13.250 1.00 10.21 O ATOM 1056 CG2 THR A 135 2.759 -3.168 -15.072 1.00 9.90 C ATOM 1057 HG1 THR A 135 1.543 -2.486 -12.884 1.00 0.00 H ATOM 1058 H THR A 135 2.269 -4.141 -12.426 1.00 0.00 H ATOM 1059 N SER A 136 5.504 -1.271 -12.151 1.00 8.29 N ATOM 1060 CA SER A 136 6.044 -0.377 -11.146 1.00 8.28 C ATOM 1061 C SER A 136 5.042 0.678 -10.725 1.00 8.66 C ATOM 1062 O SER A 136 4.135 1.050 -11.476 1.00 9.15 O ATOM 1063 CB SER A 136 7.325 0.263 -11.640 1.00 8.35 C ATOM 1064 OG SER A 136 8.298 -0.750 -11.680 1.00 7.32 O ATOM 1065 HG SER A 136 9.155 -0.371 -12.000 1.00 0.00 H ATOM 1066 H SER A 136 5.868 -1.234 -13.124 1.00 0.00 H ATOM 1067 N VAL A 137 5.246 1.156 -9.507 1.00 9.62 N ATOM 1068 CA VAL A 137 4.537 2.324 -8.968 1.00 10.61 C ATOM 1069 C VAL A 137 5.425 3.515 -9.292 1.00 12.10 C ATOM 1070 O VAL A 137 6.632 3.505 -9.002 1.00 11.57 O ATOM 1071 CB VAL A 137 4.333 2.225 -7.466 1.00 10.60 C ATOM 1072 CG1 VAL A 137 3.651 3.535 -6.933 1.00 10.87 C ATOM 1073 CG2 VAL A 137 3.479 1.003 -7.124 1.00 10.62 C ATOM 1074 H VAL A 137 5.944 0.680 -8.901 1.00 0.00 H ATOM 1075 N THR A 138 4.829 4.545 -9.894 1.00 13.90 N ATOM 1076 CA THR A 138 5.593 5.617 -10.547 1.00 16.11 C ATOM 1077 C THR A 138 5.516 6.995 -9.871 1.00 16.11 C ATOM 1078 O THR A 138 6.262 7.908 -10.209 1.00 17.38 O ATOM 1079 CB THR A 138 5.064 5.876 -11.960 1.00 16.97 C ATOM 1080 OG1 THR A 138 3.692 6.269 -11.840 1.00 20.44 O ATOM 1081 CG2 THR A 138 5.199 4.656 -12.858 1.00 19.02 C ATOM 1082 HG1 THR A 138 3.320 6.444 -12.741 1.00 0.00 H ATOM 1083 H THR A 138 3.790 4.591 -9.902 1.00 0.00 H ATOM 1084 N ASP A 139 4.583 7.171 -8.960 1.00 16.48 N ATOM 1085 CA ASP A 139 4.367 8.495 -8.399 1.00 17.00 C ATOM 1086 C ASP A 139 3.619 8.438 -7.090 1.00 16.08 C ATOM 1087 O ASP A 139 3.011 7.428 -6.706 1.00 15.21 O ATOM 1088 CB ASP A 139 3.598 9.380 -9.408 1.00 17.60 C ATOM 1089 CG ASP A 139 3.566 10.898 -9.020 1.00 21.08 C ATOM 1090 OD1 ASP A 139 4.448 11.416 -8.275 1.00 21.75 O ATOM 1091 OD2 ASP A 139 2.625 11.574 -9.496 1.00 24.04 O ATOM 1092 H ASP A 139 4.003 6.368 -8.643 1.00 0.00 H ATOM 1093 N LEU A 140 3.689 9.560 -6.397 1.00 15.25 N ATOM 1094 CA LEU A 140 3.036 9.795 -5.153 1.00 14.35 C ATOM 1095 C LEU A 140 2.161 10.999 -5.479 1.00 13.82 C ATOM 1096 O LEU A 140 2.529 12.136 -5.147 1.00 13.49 O ATOM 1097 CB LEU A 140 4.136 10.182 -4.163 1.00 16.12 C ATOM 1098 CG LEU A 140 3.932 10.134 -2.672 1.00 15.41 C ATOM 1099 CD1 LEU A 140 3.568 8.735 -2.325 1.00 14.26 C ATOM 1100 CD2 LEU A 140 5.215 10.556 -1.961 1.00 18.20 C ATOM 1101 H LEU A 140 4.265 10.331 -6.790 1.00 0.00 H ATOM 1102 N PRO A 141 1.020 10.764 -6.159 1.00 12.03 N ATOM 1103 CA PRO A 141 0.309 11.842 -6.851 1.00 12.46 C ATOM 1104 C PRO A 141 -0.185 12.935 -5.935 1.00 12.03 C ATOM 1105 O PRO A 141 -0.358 14.092 -6.369 1.00 13.01 O ATOM 1106 CB PRO A 141 -0.913 11.146 -7.475 1.00 12.45 C ATOM 1107 CG PRO A 141 -0.840 9.741 -7.121 1.00 13.87 C ATOM 1108 CD PRO A 141 0.420 9.441 -6.405 1.00 12.51 C ATOM 1109 N ASN A 142 -0.381 12.590 -4.678 1.00 11.21 N ATOM 1110 CA ASN A 142 -0.980 13.526 -3.756 1.00 11.47 C ATOM 1111 C ASN A 142 -0.035 13.997 -2.678 1.00 10.66 C ATOM 1112 O ASN A 142 -0.472 14.522 -1.651 1.00 10.85 O ATOM 1113 CB ASN A 142 -2.243 12.935 -3.153 1.00 12.20 C ATOM 1114 CG ASN A 142 -3.192 13.985 -2.704 1.00 14.13 C ATOM 1115 OD1 ASN A 142 -3.336 15.020 -3.364 1.00 17.12 O ATOM 1116 ND2 ASN A 142 -3.843 13.754 -1.569 1.00 15.45 N ATOM 1117 HD22 ASN A 142 -3.686 12.866 -1.051 1.00 0.00 H ATOM 1118 HD21 ASN A 142 -4.510 14.461 -1.199 1.00 0.00 H ATOM 1119 H ASN A 142 -0.104 11.643 -4.350 1.00 0.00 H ATOM 1120 N SER A 143 1.265 13.844 -2.918 1.00 9.88 N ATOM 1121 CA SER A 143 2.270 14.423 -2.001 1.00 10.03 C ATOM 1122 C SER A 143 2.185 15.941 -2.130 1.00 10.50 C ATOM 1123 O SER A 143 1.748 16.474 -3.171 1.00 10.95 O ATOM 1124 CB SER A 143 3.686 13.924 -2.279 1.00 9.93 C ATOM 1125 OG SER A 143 4.089 14.276 -3.567 1.00 10.85 O ATOM 1126 HG SER A 143 4.073 15.262 -3.659 1.00 0.00 H ATOM 1127 H SER A 143 1.576 13.313 -3.757 1.00 0.00 H ATOM 1128 N PHE A 144 2.537 16.621 -1.048 1.00 8.87 N ATOM 1129 CA PHE A 144 2.472 18.083 -1.050 1.00 8.70 C ATOM 1130 C PHE A 144 3.860 18.710 -1.006 1.00 9.29 C ATOM 1131 O PHE A 144 4.882 18.018 -0.887 1.00 8.41 O ATOM 1132 CB PHE A 144 1.480 18.621 -0.013 1.00 9.78 C ATOM 1133 CG PHE A 144 1.647 18.066 1.360 1.00 9.58 C ATOM 1134 CD1 PHE A 144 2.567 18.627 2.247 1.00 12.17 C ATOM 1135 CD2 PHE A 144 0.878 17.007 1.776 1.00 12.24 C ATOM 1136 CE1 PHE A 144 2.727 18.117 3.546 1.00 13.14 C ATOM 1137 CE2 PHE A 144 1.007 16.508 3.061 1.00 13.58 C ATOM 1138 CZ PHE A 144 1.950 17.041 3.943 1.00 12.46 C ATOM 1139 H PHE A 144 2.859 16.116 -0.198 1.00 0.00 H ATOM 1140 N ASP A 145 3.906 20.029 -1.154 1.00 8.16 N ATOM 1141 CA ASP A 145 5.178 20.737 -1.141 1.00 8.58 C ATOM 1142 C ASP A 145 5.929 20.435 0.174 1.00 7.90 C ATOM 1143 O ASP A 145 5.349 20.423 1.274 1.00 8.49 O ATOM 1144 CB ASP A 145 4.925 22.245 -1.267 1.00 8.98 C ATOM 1145 CG ASP A 145 6.209 23.046 -1.358 1.00 10.69 C ATOM 1146 OD1 ASP A 145 6.814 23.084 -2.452 1.00 13.51 O ATOM 1147 OD2 ASP A 145 6.624 23.615 -0.326 1.00 14.53 O ATOM 1148 H ASP A 145 3.022 20.563 -1.281 1.00 0.00 H ATOM 1149 N GLY A 146 7.232 20.222 0.045 1.00 8.58 N ATOM 1150 CA GLY A 146 8.031 19.984 1.218 1.00 9.14 C ATOM 1151 C GLY A 146 9.474 19.725 0.904 1.00 9.54 C ATOM 1152 O GLY A 146 9.840 19.673 -0.264 1.00 9.48 O ATOM 1153 H GLY A 146 7.673 20.227 -0.897 1.00 0.00 H ATOM 1154 N PRO A 147 10.285 19.526 1.959 1.00 10.61 N ATOM 1155 CA PRO A 147 11.746 19.445 1.808 1.00 11.11 C ATOM 1156 C PRO A 147 12.338 18.040 1.615 1.00 11.03 C ATOM 1157 O PRO A 147 13.537 17.911 1.323 1.00 12.27 O ATOM 1158 CB PRO A 147 12.259 20.011 3.133 1.00 12.30 C ATOM 1159 CG PRO A 147 11.214 19.677 4.112 1.00 12.12 C ATOM 1160 CD PRO A 147 9.883 19.523 3.372 1.00 11.54 C ATOM 1161 N VAL A 148 11.524 17.008 1.792 1.00 9.54 N ATOM 1162 CA VAL A 148 12.041 15.648 1.845 1.00 9.17 C ATOM 1163 C VAL A 148 12.193 15.071 0.449 1.00 9.54 C ATOM 1164 O VAL A 148 11.301 15.196 -0.379 1.00 10.25 O ATOM 1165 CB VAL A 148 11.090 14.750 2.676 1.00 10.38 C ATOM 1166 CG1 VAL A 148 11.687 13.375 2.930 1.00 9.24 C ATOM 1167 CG2 VAL A 148 10.722 15.402 4.012 1.00 11.24 C ATOM 1168 H VAL A 148 10.502 17.173 1.894 1.00 0.00 H ATOM 1169 N THR A 149 13.333 14.438 0.175 1.00 9.06 N ATOM 1170 CA THR A 149 13.447 13.614 -1.021 1.00 9.59 C ATOM 1171 C THR A 149 12.790 12.256 -0.744 1.00 8.67 C ATOM 1172 O THR A 149 13.306 11.469 0.040 1.00 9.19 O ATOM 1173 CB THR A 149 14.898 13.391 -1.429 1.00 10.32 C ATOM 1174 OG1 THR A 149 15.516 14.674 -1.637 1.00 12.55 O ATOM 1175 CG2 THR A 149 14.960 12.612 -2.750 1.00 11.58 C ATOM 1176 HG1 THR A 149 16.461 14.545 -1.903 1.00 0.00 H ATOM 1177 H THR A 149 14.145 14.533 0.818 1.00 0.00 H ATOM 1178 N ILE A 150 11.662 12.006 -1.392 1.00 7.62 N ATOM 1179 CA ILE A 150 10.915 10.769 -1.172 1.00 8.00 C ATOM 1180 C ILE A 150 11.160 9.859 -2.368 1.00 7.81 C ATOM 1181 O ILE A 150 10.886 10.239 -3.491 1.00 8.13 O ATOM 1182 CB ILE A 150 9.420 11.050 -1.035 1.00 8.13 C ATOM 1183 CG1 ILE A 150 9.139 12.064 0.065 1.00 10.44 C ATOM 1184 CG2 ILE A 150 8.637 9.732 -0.801 1.00 8.43 C ATOM 1185 CD1 ILE A 150 7.775 12.816 -0.168 1.00 11.17 C ATOM 1186 H ILE A 150 11.300 12.705 -2.072 1.00 0.00 H ATOM 1187 N THR A 151 11.651 8.644 -2.128 1.00 7.00 N ATOM 1188 CA THR A 151 11.922 7.726 -3.211 1.00 6.90 C ATOM 1189 C THR A 151 11.006 6.499 -3.134 1.00 6.63 C ATOM 1190 O THR A 151 10.993 5.827 -2.117 1.00 8.32 O ATOM 1191 CB THR A 151 13.407 7.281 -3.178 1.00 7.62 C ATOM 1192 OG1 THR A 151 14.243 8.439 -3.297 1.00 10.98 O ATOM 1193 CG2 THR A 151 13.740 6.342 -4.343 1.00 9.32 C ATOM 1194 HG1 THR A 151 14.050 8.897 -4.153 1.00 0.00 H ATOM 1195 H THR A 151 11.842 8.352 -1.148 1.00 0.00 H ATOM 1196 N ILE A 152 10.240 6.233 -4.196 1.00 6.11 N ATOM 1197 CA ILE A 152 9.494 4.984 -4.316 1.00 5.26 C ATOM 1198 C ILE A 152 10.469 3.955 -4.855 1.00 5.50 C ATOM 1199 O ILE A 152 11.082 4.188 -5.923 1.00 6.25 O ATOM 1200 CB ILE A 152 8.302 5.122 -5.287 1.00 5.90 C ATOM 1201 CG1 ILE A 152 7.298 6.130 -4.725 1.00 7.77 C ATOM 1202 CG2 ILE A 152 7.656 3.790 -5.489 1.00 7.68 C ATOM 1203 CD1 ILE A 152 6.327 6.658 -5.751 1.00 9.66 C ATOM 1204 H ILE A 152 10.173 6.936 -4.959 1.00 0.00 H ATOM 1205 N VAL A 153 10.606 2.849 -4.128 1.00 3.79 N ATOM 1206 CA VAL A 153 11.452 1.741 -4.513 1.00 4.21 C ATOM 1207 C VAL A 153 10.591 0.517 -4.822 1.00 4.03 C ATOM 1208 O VAL A 153 9.942 -0.026 -3.946 1.00 3.67 O ATOM 1209 CB VAL A 153 12.487 1.404 -3.442 1.00 4.09 C ATOM 1210 CG1 VAL A 153 13.460 0.367 -4.020 1.00 4.01 C ATOM 1211 CG2 VAL A 153 13.257 2.663 -2.964 1.00 4.87 C ATOM 1212 H VAL A 153 10.077 2.778 -3.236 1.00 0.00 H ATOM 1213 N ASN A 154 10.596 0.078 -6.071 1.00 3.22 N ATOM 1214 CA ASN A 154 9.880 -1.123 -6.464 1.00 3.66 C ATOM 1215 C ASN A 154 10.724 -2.359 -6.214 1.00 4.47 C ATOM 1216 O ASN A 154 11.951 -2.258 -6.049 1.00 4.72 O ATOM 1217 CB ASN A 154 9.476 -0.973 -7.933 1.00 4.13 C ATOM 1218 CG ASN A 154 8.406 0.095 -8.126 1.00 5.33 C ATOM 1219 OD1 ASN A 154 7.218 -0.173 -7.946 1.00 4.88 O ATOM 1220 ND2 ASN A 154 8.813 1.295 -8.474 1.00 5.25 N ATOM 1221 HD22 ASN A 154 9.827 1.479 -8.616 1.00 0.00 H ATOM 1222 HD21 ASN A 154 8.122 2.060 -8.607 1.00 0.00 H ATOM 1223 H ASN A 154 11.127 0.608 -6.791 1.00 0.00 H ATOM 1224 N ARG A 155 10.077 -3.517 -6.182 1.00 3.66 N ATOM 1225 CA ARG A 155 10.804 -4.740 -5.875 1.00 3.71 C ATOM 1226 C ARG A 155 11.856 -5.066 -6.937 1.00 4.39 C ATOM 1227 O ARG A 155 12.908 -5.606 -6.589 1.00 3.63 O ATOM 1228 CB ARG A 155 9.817 -5.890 -5.619 1.00 4.73 C ATOM 1229 CG ARG A 155 10.465 -7.205 -5.146 1.00 5.02 C ATOM 1230 CD ARG A 155 11.213 -7.112 -3.826 1.00 9.78 C ATOM 1231 NE ARG A 155 12.560 -6.560 -3.985 1.00 8.87 N ATOM 1232 CZ ARG A 155 13.523 -6.617 -3.067 1.00 9.70 C ATOM 1233 NH1 ARG A 155 13.311 -7.235 -1.913 1.00 11.59 N ATOM 1234 NH2 ARG A 155 14.697 -6.052 -3.319 1.00 10.28 N ATOM 1235 HE ARG A 155 12.782 -6.087 -4.884 1.00 0.00 H ATOM 1236 HH12 ARG A 155 14.066 -7.277 -1.199 1.00 0.00 H ATOM 1237 HH11 ARG A 155 12.390 -7.678 -1.722 1.00 0.00 H ATOM 1238 HH22 ARG A 155 15.456 -6.091 -2.609 1.00 0.00 H ATOM 1239 HH21 ARG A 155 14.858 -5.570 -4.227 1.00 0.00 H ATOM 1240 H ARG A 155 9.056 -3.551 -6.375 1.00 0.00 H ATOM 1241 N ASP A 156 11.622 -4.639 -8.182 1.00 4.01 N ATOM 1242 CA ASP A 156 12.612 -4.864 -9.267 1.00 5.17 C ATOM 1243 C ASP A 156 13.699 -3.806 -9.304 1.00 5.84 C ATOM 1244 O ASP A 156 14.535 -3.778 -10.233 1.00 6.30 O ATOM 1245 CB ASP A 156 11.929 -4.972 -10.652 1.00 5.49 C ATOM 1246 CG ASP A 156 11.308 -3.657 -11.133 1.00 7.71 C ATOM 1247 OD1 ASP A 156 11.430 -2.627 -10.465 1.00 8.45 O ATOM 1248 OD2 ASP A 156 10.666 -3.683 -12.209 1.00 8.43 O ATOM 1249 H ASP A 156 10.734 -4.142 -8.394 1.00 0.00 H ATOM 1250 N GLY A 157 13.658 -2.907 -8.323 1.00 4.82 N ATOM 1251 CA GLY A 157 14.705 -1.932 -8.154 1.00 5.39 C ATOM 1252 C GLY A 157 14.408 -0.605 -8.799 1.00 4.78 C ATOM 1253 O GLY A 157 15.101 0.371 -8.515 1.00 4.95 O ATOM 1254 H GLY A 157 12.853 -2.909 -7.665 1.00 0.00 H ATOM 1255 N THR A 158 13.358 -0.533 -9.630 1.00 5.32 N ATOM 1256 CA THR A 158 13.029 0.721 -10.311 1.00 6.04 C ATOM 1257 C THR A 158 12.654 1.773 -9.284 1.00 5.53 C ATOM 1258 O THR A 158 11.837 1.527 -8.378 1.00 4.65 O ATOM 1259 CB THR A 158 11.892 0.552 -11.378 1.00 5.93 C ATOM 1260 OG1 THR A 158 11.610 1.806 -12.034 1.00 8.33 O ATOM 1261 CG2 THR A 158 10.653 0.072 -10.767 1.00 9.83 C ATOM 1262 HG1 THR A 158 10.891 1.674 -12.701 1.00 0.00 H ATOM 1263 H THR A 158 12.771 -1.376 -9.792 1.00 0.00 H ATOM 1264 N ARG A 159 13.250 2.946 -9.433 1.00 4.31 N ATOM 1265 CA ARG A 159 13.058 4.037 -8.496 1.00 4.88 C ATOM 1266 C ARG A 159 12.424 5.266 -9.117 1.00 6.37 C ATOM 1267 O ARG A 159 12.713 5.638 -10.281 1.00 7.76 O ATOM 1268 CB ARG A 159 14.369 4.453 -7.826 1.00 5.26 C ATOM 1269 CG ARG A 159 14.795 3.454 -6.782 1.00 6.33 C ATOM 1270 CD ARG A 159 16.192 3.765 -6.197 1.00 8.06 C ATOM 1271 NE ARG A 159 16.534 2.692 -5.287 1.00 11.83 N ATOM 1272 CZ ARG A 159 16.910 2.830 -4.039 1.00 14.14 C ATOM 1273 NH1 ARG A 159 17.004 4.037 -3.462 1.00 18.30 N ATOM 1274 NH2 ARG A 159 17.194 1.712 -3.363 1.00 15.21 N ATOM 1275 HE ARG A 159 16.476 1.722 -5.658 1.00 0.00 H ATOM 1276 HH12 ARG A 159 17.305 4.117 -2.470 1.00 0.00 H ATOM 1277 HH11 ARG A 159 16.776 4.893 -4.007 1.00 0.00 H ATOM 1278 HH22 ARG A 159 17.497 1.768 -2.370 1.00 0.00 H ATOM 1279 HH21 ARG A 159 17.112 0.787 -3.831 1.00 0.00 H ATOM 1280 H ARG A 159 13.877 3.090 -10.250 1.00 0.00 H ATOM 1281 N TYR A 160 11.591 5.909 -8.309 1.00 7.65 N ATOM 1282 CA TYR A 160 11.015 7.192 -8.688 1.00 9.09 C ATOM 1283 C TYR A 160 11.134 8.109 -7.496 1.00 10.47 C ATOM 1284 O TYR A 160 10.671 7.761 -6.406 1.00 10.85 O ATOM 1285 CB TYR A 160 9.551 7.042 -9.062 1.00 10.01 C ATOM 1286 CG TYR A 160 9.277 6.391 -10.401 1.00 14.29 C ATOM 1287 CD1 TYR A 160 9.034 7.186 -11.523 1.00 17.39 C ATOM 1288 CD2 TYR A 160 9.200 5.019 -10.534 1.00 18.19 C ATOM 1289 CE1 TYR A 160 8.748 6.630 -12.761 1.00 22.41 C ATOM 1290 CE2 TYR A 160 8.915 4.435 -11.784 1.00 18.51 C ATOM 1291 CZ TYR A 160 8.690 5.250 -12.886 1.00 20.18 C ATOM 1292 OH TYR A 160 8.391 4.721 -14.122 1.00 23.58 O ATOM 1293 HH TYR A 160 8.266 5.456 -14.773 1.00 0.00 H ATOM 1294 H TYR A 160 11.345 5.490 -7.389 1.00 0.00 H ATOM 1295 N SER A 161 11.712 9.295 -7.695 1.00 11.08 N ATOM 1296 CA SER A 161 11.925 10.220 -6.591 1.00 11.28 C ATOM 1297 C SER A 161 11.235 11.547 -6.853 1.00 11.58 C ATOM 1298 O SER A 161 11.065 11.955 -8.011 1.00 12.05 O ATOM 1299 CB SER A 161 13.408 10.482 -6.411 1.00 12.71 C ATOM 1300 OG SER A 161 14.063 9.312 -5.955 1.00 16.67 O ATOM 1301 HG SER A 161 13.676 9.035 -5.087 1.00 0.00 H ATOM 1302 H SER A 161 12.015 9.563 -8.653 1.00 0.00 H ATOM 1303 N LYS A 162 10.838 12.198 -5.765 1.00 10.50 N ATOM 1304 CA LYS A 162 10.342 13.574 -5.825 1.00 12.26 C ATOM 1305 C LYS A 162 10.594 14.281 -4.508 1.00 12.49 C ATOM 1306 O LYS A 162 10.680 13.656 -3.446 1.00 12.63 O ATOM 1307 CB LYS A 162 8.857 13.648 -6.191 1.00 12.82 C ATOM 1308 CG LYS A 162 7.913 13.037 -5.165 1.00 14.82 C ATOM 1309 CD LYS A 162 6.526 12.828 -5.769 1.00 18.52 C ATOM 1310 CE LYS A 162 5.827 14.127 -6.190 1.00 16.89 C ATOM 1311 NZ LYS A 162 4.353 13.942 -6.539 1.00 17.43 N ATOM 1312 HZ1 LYS A 162 4.267 13.272 -7.330 1.00 0.00 H ATOM 1313 HZ2 LYS A 162 3.846 13.570 -5.711 1.00 0.00 H ATOM 1314 HZ3 LYS A 162 3.945 14.858 -6.814 1.00 0.00 H ATOM 1315 H LYS A 162 10.881 11.716 -4.844 1.00 0.00 H ATOM 1316 N LYS A 163 10.730 15.600 -4.568 1.00 11.19 N ATOM 1317 CA LYS A 163 10.827 16.387 -3.341 1.00 11.36 C ATOM 1318 C LYS A 163 9.434 16.740 -2.868 1.00 10.25 C ATOM 1319 O LYS A 163 8.602 17.199 -3.652 1.00 11.74 O ATOM 1320 CB LYS A 163 11.620 17.680 -3.587 1.00 11.93 C ATOM 1321 CG LYS A 163 11.957 18.461 -2.328 1.00 16.00 C ATOM 1322 CD LYS A 163 12.670 19.798 -2.631 1.00 20.40 C ATOM 1323 CE LYS A 163 11.713 20.852 -3.238 1.00 21.62 C ATOM 1324 NZ LYS A 163 10.722 21.448 -2.273 1.00 20.52 N ATOM 1325 HZ1 LYS A 163 10.123 20.693 -1.882 1.00 0.00 H ATOM 1326 HZ2 LYS A 163 11.233 21.921 -1.501 1.00 0.00 H ATOM 1327 HZ3 LYS A 163 10.128 22.140 -2.772 1.00 0.00 H ATOM 1328 H LYS A 163 10.768 16.075 -5.492 1.00 0.00 H ATOM 1329 N GLY A 164 9.161 16.473 -1.597 1.00 8.95 N ATOM 1330 CA GLY A 164 7.852 16.807 -1.058 1.00 7.74 C ATOM 1331 C GLY A 164 7.691 16.430 0.397 1.00 7.71 C ATOM 1332 O GLY A 164 8.667 16.334 1.181 1.00 8.04 O ATOM 1333 H GLY A 164 9.879 16.028 -0.990 1.00 0.00 H ATOM 1334 N GLU A 165 6.434 16.239 0.781 1.00 7.72 N ATOM 1335 CA GLU A 165 6.114 15.796 2.127 1.00 8.48 C ATOM 1336 C GLU A 165 4.771 15.098 2.027 1.00 7.97 C ATOM 1337 O GLU A 165 4.010 15.359 1.091 1.00 7.54 O ATOM 1338 CB GLU A 165 6.030 16.993 3.071 1.00 8.67 C ATOM 1339 CG GLU A 165 5.716 16.665 4.550 1.00 11.30 C ATOM 1340 CD GLU A 165 6.658 15.631 5.166 1.00 14.07 C ATOM 1341 OE1 GLU A 165 7.709 16.049 5.726 1.00 14.80 O ATOM 1342 OE2 GLU A 165 6.340 14.418 5.112 1.00 14.91 O ATOM 1343 H GLU A 165 5.663 16.410 0.104 1.00 0.00 H ATOM 1344 N TYR A 166 4.489 14.200 2.964 1.00 8.01 N ATOM 1345 CA TYR A 166 3.145 13.590 3.096 1.00 7.97 C ATOM 1346 C TYR A 166 2.611 13.574 4.529 1.00 8.22 C ATOM 1347 O TYR A 166 1.421 13.375 4.744 1.00 8.31 O ATOM 1348 CB TYR A 166 3.118 12.158 2.497 1.00 7.72 C ATOM 1349 CG TYR A 166 4.018 11.216 3.223 1.00 8.19 C ATOM 1350 CD1 TYR A 166 3.560 10.471 4.324 1.00 11.83 C ATOM 1351 CD2 TYR A 166 5.340 11.068 2.830 1.00 9.99 C ATOM 1352 CE1 TYR A 166 4.434 9.592 5.033 1.00 9.59 C ATOM 1353 CE2 TYR A 166 6.204 10.211 3.521 1.00 13.42 C ATOM 1354 CZ TYR A 166 5.757 9.491 4.621 1.00 12.55 C ATOM 1355 OH TYR A 166 6.642 8.644 5.287 1.00 15.80 O ATOM 1356 HH TYR A 166 6.174 8.207 6.042 1.00 0.00 H ATOM 1357 H TYR A 166 5.237 13.915 3.628 1.00 0.00 H ATOM 1358 N ARG A 167 3.476 13.789 5.513 1.00 9.33 N ATOM 1359 CA ARG A 167 3.055 13.691 6.915 1.00 10.01 C ATOM 1360 C ARG A 167 2.401 14.994 7.319 1.00 11.65 C ATOM 1361 O ARG A 167 2.975 16.065 7.108 1.00 12.84 O ATOM 1362 CB ARG A 167 4.269 13.424 7.800 1.00 9.85 C ATOM 1363 CG ARG A 167 4.939 12.089 7.522 1.00 10.12 C ATOM 1364 CD ARG A 167 6.343 12.005 8.071 1.00 12.60 C ATOM 1365 NE ARG A 167 7.236 12.975 7.425 1.00 12.96 N ATOM 1366 CZ ARG A 167 8.504 13.168 7.769 1.00 15.54 C ATOM 1367 NH1 ARG A 167 9.056 12.431 8.721 1.00 16.62 N ATOM 1368 NH2 ARG A 167 9.227 14.072 7.137 1.00 15.86 N ATOM 1369 HE ARG A 167 6.850 13.548 6.648 1.00 0.00 H ATOM 1370 HH12 ARG A 167 10.049 12.585 8.988 1.00 0.00 H ATOM 1371 HH11 ARG A 167 8.496 11.698 9.202 1.00 0.00 H ATOM 1372 HH22 ARG A 167 10.220 14.224 7.406 1.00 0.00 H ATOM 1373 HH21 ARG A 167 8.804 14.633 6.370 1.00 0.00 H ATOM 1374 H ARG A 167 4.462 14.029 5.288 1.00 0.00 H ATOM 1375 N THR A 168 1.211 14.899 7.899 1.00 12.97 N ATOM 1376 CA THR A 168 0.436 16.071 8.300 1.00 15.16 C ATOM 1377 C THR A 168 0.470 16.234 9.817 1.00 16.97 C ATOM 1378 O THR A 168 0.064 17.282 10.338 1.00 18.53 O ATOM 1379 CB THR A 168 -1.050 16.009 7.839 1.00 15.79 C ATOM 1380 OG1 THR A 168 -1.748 14.990 8.572 1.00 16.34 O ATOM 1381 CG2 THR A 168 -1.164 15.749 6.329 1.00 14.73 C ATOM 1382 HG1 THR A 168 -1.318 14.114 8.407 1.00 0.00 H ATOM 1383 H THR A 168 0.815 13.954 8.075 1.00 0.00 H ATOM 1384 N HIS A 169 0.961 15.225 10.528 1.00 18.23 N ATOM 1385 CA HIS A 169 1.056 15.286 11.997 1.00 20.34 C ATOM 1386 C HIS A 169 2.476 15.563 12.467 1.00 21.27 C ATOM 1387 O HIS A 169 3.411 14.833 12.110 1.00 21.65 O ATOM 1388 CB HIS A 169 0.535 13.997 12.637 1.00 19.98 C ATOM 1389 CG HIS A 169 -0.933 13.796 12.445 1.00 21.10 C ATOM 1390 ND1 HIS A 169 -1.461 13.174 11.335 1.00 24.41 N ATOM 1391 CD2 HIS A 169 -1.988 14.168 13.206 1.00 23.31 C ATOM 1392 CE1 HIS A 169 -2.780 13.158 11.427 1.00 23.53 C ATOM 1393 NE2 HIS A 169 -3.123 13.761 12.550 1.00 25.39 N ATOM 1394 H HIS A 169 1.287 14.369 10.035 1.00 0.00 H ATOM 1395 N GLN A 170 2.638 16.623 13.267 1.00 23.10 N ATOM 1396 CA GLN A 170 3.943 16.974 13.839 1.00 24.46 C ATOM 1397 C GLN A 170 4.621 15.794 14.536 1.00 24.88 C ATOM 1398 O GLN A 170 5.817 15.547 14.336 1.00 25.11 O ATOM 1399 CB GLN A 170 3.808 18.164 14.805 1.00 25.59 C ATOM 1400 CG GLN A 170 5.118 18.584 15.478 1.00 26.97 C ATOM 1401 CD GLN A 170 6.108 19.187 14.493 1.00 30.73 C ATOM 1402 OE1 GLN A 170 5.982 20.356 14.115 1.00 33.59 O ATOM 1403 NE2 GLN A 170 7.108 18.403 14.086 1.00 30.71 N ATOM 1404 HE22 GLN A 170 7.175 17.424 14.431 1.00 0.00 H ATOM 1405 HE21 GLN A 170 7.821 18.771 13.424 1.00 0.00 H ATOM 1406 H GLN A 170 1.814 17.217 13.490 1.00 0.00 H ATOM 1407 N GLU A 171 3.835 15.059 15.325 1.00 25.15 N ATOM 1408 CA GLU A 171 4.312 13.912 16.103 1.00 25.90 C ATOM 1409 C GLU A 171 5.018 12.866 15.240 1.00 25.51 C ATOM 1410 O GLU A 171 5.812 12.070 15.753 1.00 25.41 O ATOM 1411 CB GLU A 171 3.144 13.263 16.841 1.00 26.58 C ATOM 1412 CG GLU A 171 2.425 14.192 17.846 1.00 29.99 C ATOM 1413 CD GLU A 171 1.558 15.279 17.197 1.00 33.08 C ATOM 1414 OE1 GLU A 171 1.220 15.167 15.989 1.00 33.68 O ATOM 1415 OE2 GLU A 171 1.215 16.256 17.908 1.00 34.08 O ATOM 1416 H GLU A 171 2.829 15.314 15.392 1.00 0.00 H ATOM 1417 N ASP A 172 4.738 12.885 13.934 1.00 24.73 N ATOM 1418 CA ASP A 172 5.321 11.919 13.006 1.00 24.08 C ATOM 1419 C ASP A 172 6.576 12.442 12.335 1.00 25.04 C ATOM 1420 O ASP A 172 7.253 11.692 11.643 1.00 25.99 O ATOM 1421 CB ASP A 172 4.306 11.477 11.934 1.00 22.48 C ATOM 1422 CG ASP A 172 3.159 10.666 12.503 1.00 19.86 C ATOM 1423 OD1 ASP A 172 3.380 9.858 13.453 1.00 17.94 O ATOM 1424 OD2 ASP A 172 2.023 10.816 11.975 1.00 14.74 O ATOM 1425 H ASP A 172 4.086 13.608 13.567 1.00 0.00 H ATOM 1426 N ILE A 173 6.893 13.719 12.520 1.00 25.90 N ATOM 1427 CA ILE A 173 8.050 14.278 11.821 1.00 27.07 C ATOM 1428 C ILE A 173 9.307 14.300 12.686 1.00 27.58 C ATOM 1429 O ILE A 173 10.139 13.395 12.584 1.00 28.41 O ATOM 1430 CB ILE A 173 7.750 15.648 11.194 1.00 27.13 C ATOM 1431 CG1 ILE A 173 6.682 15.486 10.098 1.00 26.85 C ATOM 1432 CG2 ILE A 173 9.050 16.248 10.630 1.00 28.00 C ATOM 1433 CD1 ILE A 173 5.931 16.743 9.712 1.00 26.98 C ATOM 1434 H ILE A 173 6.324 14.315 13.155 1.00 0.00 H TER 1435 ILE A 173 HETATM 1436 O HOH 1 7.685 0.599 7.671 1.00 5.95 O HETATM 1437 O HOH 2 -4.386 -4.428 -8.674 1.00 5.02 O HETATM 1438 O HOH 3 14.345 -3.163 -4.776 1.00 7.03 O HETATM 1439 O HOH 4 9.917 -1.354 -13.895 1.00 9.87 O HETATM 1440 O HOH 5 2.421 -18.375 7.096 1.00 8.08 O HETATM 1441 O HOH 6 -0.565 12.831 2.903 1.00 8.66 O HETATM 1442 O HOH 7 -6.089 -7.188 -13.597 1.00 11.46 O HETATM 1443 O HOH 8 1.982 -11.743 -3.358 1.00 10.85 O HETATM 1444 O HOH 9 -9.857 -14.416 0.834 1.00 12.46 O HETATM 1445 O HOH 10 16.889 0.640 -6.591 1.00 11.21 O HETATM 1446 O HOH 11 -14.456 -5.165 5.782 1.00 12.92 O HETATM 1447 O HOH 12 -5.953 -14.273 12.479 1.00 10.73 O HETATM 1448 O HOH 13 5.162 -6.643 20.420 1.00 9.22 O HETATM 1449 O HOH 14 7.645 -7.297 -2.806 1.00 13.95 O HETATM 1450 O HOH 15 6.059 -1.835 16.423 1.00 8.05 O HETATM 1451 O HOH 16 -7.640 -8.686 21.451 1.00 13.83 O HETATM 1452 O HOH 17 6.954 -3.433 0.474 1.00 7.74 O HETATM 1453 O HOH 18 -5.992 -7.278 19.649 1.00 12.01 O HETATM 1454 O HOH 19 14.839 -0.116 -0.516 1.00 15.16 O HETATM 1455 O HOH 20 -6.722 -7.924 17.158 1.00 12.10 O HETATM 1456 O HOH 21 -15.235 -3.087 2.482 1.00 14.38 O HETATM 1457 O HOH 22 -7.912 -12.626 15.844 1.00 16.63 O HETATM 1458 O HOH 23 7.293 -3.546 -6.443 1.00 15.22 O HETATM 1459 O HOH 24 0.174 3.188 16.142 1.00 15.38 O HETATM 1460 O HOH 25 -5.525 -13.583 14.993 1.00 11.44 O HETATM 1461 O HOH 26 -11.178 -7.372 13.254 1.00 16.53 O HETATM 1462 O HOH 27 1.678 12.268 9.734 1.00 12.31 O HETATM 1463 O HOH 28 8.094 -9.402 11.132 1.00 15.21 O HETATM 1464 O HOH 29 8.085 19.969 -2.867 1.00 13.16 O HETATM 1465 O HOH 30 14.789 -0.418 2.145 1.00 15.52 O HETATM 1466 O HOH 31 6.005 -7.128 -5.099 1.00 12.44 O HETATM 1467 O HOH 32 -5.769 7.700 4.083 1.00 19.51 O HETATM 1468 O HOH 33 -8.502 -10.041 16.795 1.00 13.68 O HETATM 1469 O HOH 34 5.665 6.939 11.756 1.00 14.75 O HETATM 1470 O HOH 35 -7.498 5.669 4.952 1.00 12.85 O HETATM 1471 O HOH 36 -1.683 -0.441 -9.772 1.00 12.94 O HETATM 1472 O HOH 37 -10.233 1.424 1.811 1.00 12.75 O HETATM 1473 O HOH 38 5.426 16.654 -3.464 1.00 15.46 O HETATM 1474 O HOH 39 -6.631 -19.612 4.643 1.00 14.53 O HETATM 1475 O HOH 40 -8.616 -14.572 5.705 1.00 15.49 O HETATM 1476 O HOH 41 2.475 -1.244 25.315 1.00 13.59 O HETATM 1477 O HOH 42 7.074 -9.309 2.719 1.00 12.08 O HETATM 1478 O HOH 43 9.624 -10.343 6.785 1.00 16.11 O HETATM 1479 O HOH 44 12.020 4.727 8.989 1.00 16.93 O HETATM 1480 O HOH 45 2.283 16.157 -5.826 1.00 15.45 O HETATM 1481 O HOH 46 -4.222 -20.462 9.639 1.00 21.05 O HETATM 1482 O HOH 47 -4.763 -5.923 14.973 1.00 10.36 O HETATM 1483 O HOH 48 -8.692 -14.076 11.881 1.00 24.01 O HETATM 1484 O HOH 49 5.350 24.103 2.068 1.00 18.19 O HETATM 1485 O HOH 50 1.129 -7.126 -14.057 1.00 17.45 O HETATM 1486 O HOH 51 4.856 1.158 -14.260 1.00 18.61 O HETATM 1487 O HOH 52 5.562 -12.928 11.438 1.00 18.24 O HETATM 1488 O HOH 53 -15.169 -4.100 -0.146 1.00 16.24 O HETATM 1489 O HOH 54 -0.563 7.296 15.272 1.00 20.83 O HETATM 1490 O HOH 55 14.228 -4.196 4.433 1.00 18.04 O HETATM 1491 O HOH 56 -9.980 -4.792 10.279 1.00 17.27 O HETATM 1492 CAA UNN A 57 12.407 -5.050 0.687 1.00 -0.04 C HETATM 1493 CAG UNN A 57 11.701 -4.487 -0.391 1.00 -0.04 C HETATM 1494 CAE UNN A 57 12.308 -3.577 -1.270 1.00 -0.09 C HETATM 1495 CAD UNN A 57 11.598 -3.010 -2.335 1.00 -0.09 C HETATM 1496 CAF UNN A 57 10.243 -3.343 -2.560 1.00 -0.06 C HETATM 1497 CAH UNN A 57 9.645 -4.251 -1.669 1.00 0.05 C HETATM 1498 NAB UNN A 57 8.351 -4.614 -1.799 1.00 -0.34 N HETATM 1499 H UNN A 57 7.781 -4.224 -2.563 1.00 0.17 H HETATM 1500 H UNN A 57 7.934 -5.280 -1.134 1.00 0.17 H HETATM 1501 CAI UNN A 57 10.361 -4.813 -0.615 1.00 0.06 C HETATM 1502 NAC UNN A 57 9.741 -5.679 0.235 1.00 -0.35 N HETATM 1503 H UNN A 57 10.265 -6.098 1.016 1.00 0.17 H HETATM 1504 H UNN A 57 8.748 -5.915 0.096 1.00 0.17 H HETATM 1505 H UNN A 57 9.687 -2.915 -3.387 1.00 0.04 H HETATM 1506 H UNN A 57 12.093 -2.307 -2.995 1.00 0.05 H HETATM 1507 H UNN A 57 13.347 -3.308 -1.121 1.00 0.04 H HETATM 1508 H UNN A 57 13.439 -4.668 0.689 1.00 0.04 H HETATM 1509 H UNN A 57 12.421 -6.145 0.584 1.00 0.04 H HETATM 1510 H UNN A 57 11.913 -4.777 1.631 1.00 0.04 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 86 85 1048 CONECT 335 334 955 CONECT 558 557 750 CONECT 750 558 749 CONECT 955 335 954 CONECT 1048 86 1047 CONECT 1492 1493 1508 1509 1510 CONECT 1493 1492 1494 1501 CONECT 1494 1493 1495 1507 CONECT 1495 1494 1496 1506 CONECT 1496 1495 1497 1505 CONECT 1497 1496 1498 1501 CONECT 1498 1497 1499 1500 CONECT 1499 1498 CONECT 1500 1498 CONECT 1501 1493 1497 1502 CONECT 1502 1501 1503 1504 CONECT 1503 1502 CONECT 1504 1502 CONECT 1505 1496 CONECT 1506 1495 CONECT 1507 1494 CONECT 1508 1492 CONECT 1509 1492 CONECT 1510 1492 MASTER 0 0 0 0 0 0 0 0 1509 1 29 12 END
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Structure:
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Related entries of code: 4mre
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4mrd
RCSB PDB
PDBbind
149aa, >4MRD_1|Chain... at 100%
4mrf
RCSB PDB
PDBbind
150aa, >4MRF_1|Chain... at 100%
4mrg
RCSB PDB
PDBbind
150aa, >4MRG_1|Chain... at 100%
4mrh
RCSB PDB
PDBbind
150aa, >4MRH_1|Chain... at 100%
4np2
RCSB PDB
PDBbind
150aa, >4NP2_1|Chain... at 100%
4np3
RCSB PDB
PDBbind
150aa, >4NP3_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4mre
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
murine cd44 hyaluronan binding domain
Ligand Name
2C9
EC.Number
E.C.-.-.-.-
Resolution
1.58(Å)
Affinity (Kd/Ki/IC50)
Kd=6.4mM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 2714-2725
Ligand Properties
Formula
C
7
H
1
0
N
2
Molecular Weight
122.168
Exact Mass
122.084
No. of atoms
19
No. of bonds
19
Polar Surface Area
52.04
LOGP Value
0.92 (
Computed with XLOGP3
)
2.32 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
Canonical SMILES
Nc1c(C)cccc1N
InChI String
InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
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):
P15379
Entrez Gene ID
NCBI Entrez Gene ID:
12505
ASD
Information of known allosteric effects of PDB entries
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