Browse entries in the PDBbind-CN Database
HEADER 4OAZ_COMPLEX COMPND 4OAZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 75 PRO LYS LEU VAL LEU ASP LEU GLU ARG LEU ALA THR VAL SEQRES 2 A 75 PRO ALA GLU LYS ALA GLY PRO LEU GLN ARG TYR ALA ALA SEQRES 3 A 75 THR ILE GLN SER GLN ARG GLY ASP TYR ASN GLY LYS VAL SEQRES 4 A 75 LEU SER ILE ARG GLN ASP ASP LEU ARG THR LEU ALA VAL SEQRES 5 A 75 ILE TYR ASP GLN SER PRO SER VAL LEU THR GLU GLN LEU SEQRES 6 A 75 ILE SER TRP GLY VAL LEU ASP ALA ASP ALA SEQRES 1 R 72 PRO LYS LEU VAL LEU ASP LEU GLU ARG LEU ALA THR VAL SEQRES 2 R 72 PRO ALA GLU LYS ALA GLY PRO LEU GLN ARG TYR ALA ALA SEQRES 3 R 72 THR ILE GLN SER GLN ARG GLY ASP TYR ASN GLY LYS VAL SEQRES 4 R 72 LEU SER ILE ARG GLN ASP ASP LEU ARG THR LEU ALA VAL SEQRES 5 R 72 ILE TYR ASP GLN SER PRO SER VAL LEU THR GLU GLN LEU SEQRES 6 R 72 ILE SER TRP GLY VAL LEU ASP HET C A 2E 68 ATOM 1 N PRO A 83 32.969 54.060 5.981 1.00 71.53 N ATOM 2 CA PRO A 83 32.843 55.503 5.741 1.00 78.59 C ATOM 3 C PRO A 83 31.380 55.941 5.628 1.00 79.22 C ATOM 4 O PRO A 83 30.599 55.305 4.911 1.00 85.72 O ATOM 5 CB PRO A 83 33.554 55.689 4.397 1.00 82.47 C ATOM 6 CG PRO A 83 33.308 54.393 3.676 1.00 80.83 C ATOM 7 CD PRO A 83 33.256 53.314 4.740 1.00 82.89 C ATOM 8 HN2 PRO A 83 32.078 53.708 6.386 1.00 0.00 H ATOM 9 HN1 PRO A 83 33.743 53.898 6.656 1.00 0.00 H ATOM 10 N LYS A 84 31.025 57.018 6.325 1.00 78.21 N ATOM 11 CA LYS A 84 29.665 57.556 6.307 1.00 70.78 C ATOM 12 C LYS A 84 29.445 58.562 5.173 1.00 64.96 C ATOM 13 O LYS A 84 30.377 59.248 4.751 1.00 58.62 O ATOM 14 CB LYS A 84 29.353 58.228 7.646 1.00 65.32 C ATOM 15 CG LYS A 84 28.210 57.597 8.426 1.00 72.21 C ATOM 16 CD LYS A 84 26.971 57.420 7.554 1.00 67.38 C ATOM 17 CE LYS A 84 25.749 57.152 8.412 1.00 58.92 C ATOM 18 NZ LYS A 84 26.048 56.139 9.467 1.00 59.22 N ATOM 19 HZ1 LYS A 84 26.342 55.249 9.017 1.00 0.00 H ATOM 20 HZ2 LYS A 84 26.814 56.491 10.077 1.00 0.00 H ATOM 21 HZ3 LYS A 84 25.195 55.974 10.039 1.00 0.00 H ATOM 22 H LYS A 84 31.743 57.496 6.906 1.00 0.00 H ATOM 23 N LEU A 85 28.200 58.639 4.701 1.00 57.00 N ATOM 24 CA LEU A 85 27.792 59.574 3.653 1.00 51.56 C ATOM 25 C LEU A 85 26.829 60.606 4.189 1.00 44.85 C ATOM 26 O LEU A 85 25.626 60.363 4.274 1.00 48.57 O ATOM 27 CB LEU A 85 27.105 58.834 2.512 1.00 46.79 C ATOM 28 CG LEU A 85 28.035 57.805 1.906 1.00 54.27 C ATOM 29 CD1 LEU A 85 27.443 57.258 0.622 1.00 55.35 C ATOM 30 CD2 LEU A 85 29.375 58.485 1.673 1.00 57.51 C ATOM 31 H LEU A 85 27.482 58.001 5.099 1.00 0.00 H ATOM 32 N VAL A 86 27.354 61.771 4.528 1.00 37.37 N ATOM 33 CA VAL A 86 26.542 62.794 5.147 1.00 42.19 C ATOM 34 C VAL A 86 26.545 64.014 4.264 1.00 44.03 C ATOM 35 O VAL A 86 27.610 64.523 3.925 1.00 48.63 O ATOM 36 CB VAL A 86 27.108 63.185 6.516 1.00 34.80 C ATOM 37 CG1 VAL A 86 26.170 64.145 7.205 1.00 38.55 C ATOM 38 CG2 VAL A 86 27.348 61.932 7.374 1.00 44.55 C ATOM 39 H VAL A 86 28.362 61.953 4.347 1.00 0.00 H ATOM 40 N LEU A 87 25.356 64.488 3.905 1.00 39.48 N ATOM 41 CA LEU A 87 25.231 65.658 3.053 1.00 44.29 C ATOM 42 C LEU A 87 24.852 66.917 3.830 1.00 44.97 C ATOM 43 O LEU A 87 24.095 66.865 4.801 1.00 47.98 O ATOM 44 CB LEU A 87 24.230 65.382 1.928 1.00 50.83 C ATOM 45 CG LEU A 87 24.446 63.984 1.331 1.00 54.10 C ATOM 46 CD1 LEU A 87 23.384 63.626 0.307 1.00 37.24 C ATOM 47 CD2 LEU A 87 25.850 63.854 0.755 1.00 51.15 C ATOM 48 H LEU A 87 24.496 64.010 4.242 1.00 0.00 H ATOM 49 N ASP A 88 25.393 68.046 3.384 1.00 46.32 N ATOM 50 CA ASP A 88 25.136 69.335 3.993 1.00 46.20 C ATOM 51 C ASP A 88 23.974 69.990 3.273 1.00 44.44 C ATOM 52 O ASP A 88 24.140 70.511 2.173 1.00 49.87 O ATOM 53 CB ASP A 88 26.387 70.203 3.876 1.00 45.49 C ATOM 54 CG ASP A 88 26.314 71.459 4.718 1.00 47.53 C ATOM 55 OD1 ASP A 88 25.204 71.993 4.929 1.00 50.61 O ATOM 56 OD2 ASP A 88 27.384 71.914 5.169 1.00 58.73 O ATOM 57 H ASP A 88 26.029 68.002 2.562 1.00 0.00 H ATOM 58 N LEU A 89 22.797 69.962 3.889 1.00 46.87 N ATOM 59 CA LEU A 89 21.589 70.468 3.243 1.00 45.15 C ATOM 60 C LEU A 89 21.688 71.945 2.883 1.00 52.37 C ATOM 61 O LEU A 89 21.074 72.414 1.922 1.00 44.22 O ATOM 62 CB LEU A 89 20.362 70.203 4.110 1.00 42.72 C ATOM 63 CG LEU A 89 20.048 68.710 4.209 1.00 42.19 C ATOM 64 CD1 LEU A 89 18.843 68.445 5.096 1.00 44.84 C ATOM 65 CD2 LEU A 89 19.831 68.143 2.806 1.00 37.26 C ATOM 66 H LEU A 89 22.735 69.572 4.851 1.00 0.00 H ATOM 67 N GLU A 90 22.481 72.679 3.646 1.00 50.52 N ATOM 68 CA GLU A 90 22.569 74.109 3.432 1.00 55.19 C ATOM 69 C GLU A 90 23.556 74.464 2.318 1.00 46.89 C ATOM 70 O GLU A 90 23.271 75.350 1.504 1.00 50.14 O ATOM 71 CB GLU A 90 22.873 74.832 4.748 1.00 58.68 C ATOM 72 CG GLU A 90 21.609 75.452 5.354 1.00 69.17 C ATOM 73 CD GLU A 90 21.561 75.404 6.875 1.00 80.08 C ATOM 74 OE1 GLU A 90 22.633 75.418 7.518 1.00 73.55 O ATOM 75 OE2 GLU A 90 20.438 75.350 7.423 1.00 77.00 O ATOM 76 H GLU A 90 23.041 72.230 4.399 1.00 0.00 H ATOM 77 N ARG A 91 24.691 73.773 2.244 1.00 43.78 N ATOM 78 CA ARG A 91 25.582 73.987 1.103 1.00 48.18 C ATOM 79 C ARG A 91 24.910 73.496 -0.193 1.00 46.07 C ATOM 80 O ARG A 91 24.996 74.138 -1.232 1.00 50.70 O ATOM 81 CB ARG A 91 26.931 73.297 1.307 1.00 49.15 C ATOM 82 CG ARG A 91 27.614 73.621 2.642 1.00 49.29 C ATOM 83 CD ARG A 91 29.034 74.122 2.418 1.00 51.83 C ATOM 84 NE ARG A 91 30.050 73.421 3.206 1.00 49.18 N ATOM 85 CZ ARG A 91 30.599 73.897 4.321 1.00 46.50 C ATOM 86 NH1 ARG A 91 30.230 75.076 4.801 1.00 50.35 N ATOM 87 NH2 ARG A 91 31.528 73.200 4.954 1.00 55.83 N ATOM 88 HE ARG A 91 30.364 72.488 2.872 1.00 0.00 H ATOM 89 HH12 ARG A 91 30.664 75.441 5.673 1.00 0.00 H ATOM 90 HH11 ARG A 91 29.507 75.636 4.306 1.00 0.00 H ATOM 91 HH22 ARG A 91 31.956 73.574 5.825 1.00 0.00 H ATOM 92 HH21 ARG A 91 31.831 72.278 4.581 1.00 0.00 H ATOM 93 H ARG A 91 24.941 73.090 2.987 1.00 0.00 H ATOM 94 N LEU A 92 24.213 72.367 -0.104 1.00 44.73 N ATOM 95 CA LEU A 92 23.560 71.745 -1.255 1.00 46.40 C ATOM 96 C LEU A 92 22.540 72.657 -1.933 1.00 46.94 C ATOM 97 O LEU A 92 22.520 72.776 -3.157 1.00 50.70 O ATOM 98 CB LEU A 92 22.887 70.432 -0.835 1.00 50.35 C ATOM 99 CG LEU A 92 22.000 69.723 -1.866 1.00 46.99 C ATOM 100 CD1 LEU A 92 22.817 69.224 -3.039 1.00 43.44 C ATOM 101 CD2 LEU A 92 21.257 68.575 -1.204 1.00 44.62 C ATOM 102 H LEU A 92 24.129 71.906 0.825 1.00 0.00 H ATOM 103 N ALA A 93 21.703 73.307 -1.136 1.00 43.68 N ATOM 104 CA ALA A 93 20.638 74.140 -1.682 1.00 45.13 C ATOM 105 C ALA A 93 21.160 75.262 -2.588 1.00 48.05 C ATOM 106 O ALA A 93 20.454 75.697 -3.499 1.00 54.02 O ATOM 107 CB ALA A 93 19.804 74.721 -0.559 1.00 47.36 C ATOM 108 H ALA A 93 21.808 73.221 -0.105 1.00 0.00 H ATOM 109 N THR A 94 22.385 75.728 -2.344 1.00 47.99 N ATOM 110 CA THR A 94 22.963 76.815 -3.147 1.00 48.51 C ATOM 111 C THR A 94 23.815 76.351 -4.320 1.00 46.49 C ATOM 112 O THR A 94 24.333 77.179 -5.068 1.00 51.88 O ATOM 113 CB THR A 94 23.858 77.760 -2.311 1.00 45.23 C ATOM 114 OG1 THR A 94 24.953 77.022 -1.754 1.00 41.76 O ATOM 115 CG2 THR A 94 23.063 78.433 -1.205 1.00 44.45 C ATOM 116 HG1 THR A 94 24.602 76.302 -1.172 1.00 0.00 H ATOM 117 H THR A 94 22.943 75.314 -1.570 1.00 0.00 H ATOM 118 N VAL A 95 24.004 75.048 -4.478 1.00 46.23 N ATOM 119 CA VAL A 95 24.657 74.558 -5.689 1.00 48.25 C ATOM 120 C VAL A 95 23.667 74.658 -6.848 1.00 46.88 C ATOM 121 O VAL A 95 22.531 74.196 -6.739 1.00 47.07 O ATOM 122 CB VAL A 95 25.178 73.120 -5.532 1.00 44.00 C ATOM 123 CG1 VAL A 95 25.901 72.689 -6.780 1.00 33.05 C ATOM 124 CG2 VAL A 95 26.112 73.038 -4.332 1.00 42.81 C ATOM 125 H VAL A 95 23.690 74.380 -3.745 1.00 0.00 H ATOM 126 N PRO A 96 24.078 75.301 -7.950 1.00 49.16 N ATOM 127 CA PRO A 96 23.147 75.443 -9.076 1.00 50.50 C ATOM 128 C PRO A 96 22.586 74.105 -9.560 1.00 49.68 C ATOM 129 O PRO A 96 23.305 73.108 -9.608 1.00 46.06 O ATOM 130 CB PRO A 96 23.999 76.110 -10.176 1.00 50.34 C ATOM 131 CG PRO A 96 25.431 76.077 -9.673 1.00 53.08 C ATOM 132 CD PRO A 96 25.341 76.026 -8.176 1.00 48.31 C ATOM 133 N ALA A 97 21.301 74.116 -9.908 1.00 49.58 N ATOM 134 CA ALA A 97 20.596 72.965 -10.469 1.00 54.96 C ATOM 135 C ALA A 97 21.354 72.250 -11.583 1.00 47.59 C ATOM 136 O ALA A 97 21.381 71.028 -11.632 1.00 51.03 O ATOM 137 CB ALA A 97 19.238 73.404 -10.990 1.00 55.78 C ATOM 138 H ALA A 97 20.766 74.997 -9.772 1.00 0.00 H ATOM 139 N GLU A 98 21.940 72.990 -12.508 1.00 56.20 N ATOM 140 CA GLU A 98 22.614 72.330 -13.621 1.00 55.60 C ATOM 141 C GLU A 98 23.539 71.232 -13.095 1.00 53.09 C ATOM 142 O GLU A 98 23.539 70.122 -13.619 1.00 52.18 O ATOM 143 CB GLU A 98 23.366 73.335 -14.495 1.00 57.82 C ATOM 144 CG GLU A 98 22.436 74.206 -15.336 1.00 67.47 C ATOM 145 CD GLU A 98 21.649 75.228 -14.502 1.00 73.50 C ATOM 146 OE1 GLU A 98 22.185 75.726 -13.481 1.00 65.24 O ATOM 147 OE2 GLU A 98 20.489 75.533 -14.868 1.00 71.55 O ATOM 148 H GLU A 98 21.921 74.028 -12.443 1.00 0.00 H ATOM 149 N LYS A 99 24.293 71.530 -12.039 1.00 49.89 N ATOM 150 CA LYS A 99 25.155 70.529 -11.406 1.00 48.22 C ATOM 151 C LYS A 99 24.406 69.602 -10.454 1.00 46.75 C ATOM 152 O LYS A 99 24.641 68.399 -10.441 1.00 47.75 O ATOM 153 CB LYS A 99 26.258 71.194 -10.589 1.00 45.12 C ATOM 154 CG LYS A 99 27.342 71.875 -11.375 1.00 51.69 C ATOM 155 CD LYS A 99 28.650 71.759 -10.614 1.00 50.10 C ATOM 156 CE LYS A 99 29.550 72.949 -10.854 1.00 52.23 C ATOM 157 NZ LYS A 99 30.333 72.823 -12.111 1.00 53.02 N ATOM 158 HZ1 LYS A 99 30.930 71.973 -12.062 1.00 0.00 H ATOM 159 HZ2 LYS A 99 29.681 72.745 -12.918 1.00 0.00 H ATOM 160 HZ3 LYS A 99 30.934 73.664 -12.229 1.00 0.00 H ATOM 161 H LYS A 99 24.269 72.496 -11.655 1.00 0.00 H ATOM 162 N ALA A 100 23.524 70.169 -9.640 1.00 50.34 N ATOM 163 CA ALA A 100 23.046 69.469 -8.454 1.00 45.13 C ATOM 164 C ALA A 100 21.578 69.083 -8.525 1.00 46.77 C ATOM 165 O ALA A 100 21.067 68.457 -7.615 1.00 45.01 O ATOM 166 CB ALA A 100 23.301 70.314 -7.215 1.00 47.86 C ATOM 167 H ALA A 100 23.170 71.124 -9.851 1.00 0.00 H ATOM 168 N GLY A 101 20.912 69.427 -9.620 1.00 44.23 N ATOM 169 CA GLY A 101 19.474 69.268 -9.706 1.00 43.57 C ATOM 170 C GLY A 101 19.008 67.895 -9.264 1.00 39.76 C ATOM 171 O GLY A 101 18.088 67.774 -8.462 1.00 41.07 O ATOM 172 H GLY A 101 21.432 69.818 -10.432 1.00 0.00 H ATOM 173 N PRO A 102 19.631 66.845 -9.814 1.00 42.34 N ATOM 174 CA PRO A 102 19.205 65.469 -9.523 1.00 39.34 C ATOM 175 C PRO A 102 19.508 65.044 -8.090 1.00 42.96 C ATOM 176 O PRO A 102 18.711 64.320 -7.504 1.00 32.99 O ATOM 177 CB PRO A 102 19.979 64.616 -10.541 1.00 43.00 C ATOM 178 CG PRO A 102 21.009 65.531 -11.150 1.00 45.68 C ATOM 179 CD PRO A 102 20.551 66.934 -10.963 1.00 44.59 C ATOM 180 N LEU A 103 20.631 65.487 -7.533 1.00 42.98 N ATOM 181 CA LEU A 103 20.919 65.254 -6.122 1.00 37.69 C ATOM 182 C LEU A 103 19.903 65.966 -5.234 1.00 39.54 C ATOM 183 O LEU A 103 19.455 65.419 -4.228 1.00 42.89 O ATOM 184 CB LEU A 103 22.330 65.716 -5.766 1.00 36.34 C ATOM 185 CG LEU A 103 22.629 65.718 -4.262 1.00 42.94 C ATOM 186 CD1 LEU A 103 22.373 64.333 -3.695 1.00 41.42 C ATOM 187 CD2 LEU A 103 24.057 66.159 -3.973 1.00 33.77 C ATOM 188 H LEU A 103 21.317 66.010 -8.114 1.00 0.00 H ATOM 189 N GLN A 104 19.537 67.187 -5.609 1.00 38.02 N ATOM 190 CA GLN A 104 18.592 67.970 -4.817 1.00 38.59 C ATOM 191 C GLN A 104 17.230 67.286 -4.798 1.00 40.32 C ATOM 192 O GLN A 104 16.588 67.190 -3.756 1.00 37.26 O ATOM 193 CB GLN A 104 18.478 69.402 -5.361 1.00 41.16 C ATOM 194 CG GLN A 104 19.729 70.239 -5.121 1.00 35.27 C ATOM 195 CD GLN A 104 19.778 71.498 -5.950 1.00 47.05 C ATOM 196 OE1 GLN A 104 19.025 71.655 -6.914 1.00 50.92 O ATOM 197 NE2 GLN A 104 20.674 72.412 -5.583 1.00 48.66 N ATOM 198 HE22 GLN A 104 21.289 72.237 -4.763 1.00 0.00 H ATOM 199 HE21 GLN A 104 20.759 73.301 -6.117 1.00 0.00 H ATOM 200 H GLN A 104 19.930 67.592 -6.482 1.00 0.00 H ATOM 201 N ARG A 105 16.800 66.793 -5.952 1.00 38.87 N ATOM 202 CA ARG A 105 15.509 66.127 -6.050 1.00 37.50 C ATOM 203 C ARG A 105 15.525 64.806 -5.317 1.00 36.59 C ATOM 204 O ARG A 105 14.524 64.412 -4.722 1.00 36.64 O ATOM 205 CB ARG A 105 15.123 65.910 -7.511 1.00 37.28 C ATOM 206 CG ARG A 105 15.224 67.175 -8.348 1.00 38.53 C ATOM 207 CD ARG A 105 14.481 67.051 -9.668 1.00 46.46 C ATOM 208 NE ARG A 105 15.031 66.010 -10.529 1.00 42.42 N ATOM 209 CZ ARG A 105 15.959 66.225 -11.456 1.00 48.13 C ATOM 210 NH1 ARG A 105 16.448 67.447 -11.644 1.00 51.62 N ATOM 211 NH2 ARG A 105 16.395 65.221 -12.203 1.00 48.70 N ATOM 212 HE ARG A 105 14.675 65.040 -10.410 1.00 0.00 H ATOM 213 HH12 ARG A 105 17.174 67.610 -12.370 1.00 0.00 H ATOM 214 HH11 ARG A 105 16.105 68.239 -11.065 1.00 0.00 H ATOM 215 HH22 ARG A 105 17.121 65.390 -12.928 1.00 0.00 H ATOM 216 HH21 ARG A 105 16.011 64.265 -12.064 1.00 0.00 H ATOM 217 H ARG A 105 17.395 66.884 -6.800 1.00 0.00 H ATOM 218 N TYR A 106 16.657 64.110 -5.361 1.00 37.43 N ATOM 219 CA TYR A 106 16.769 62.829 -4.667 1.00 37.80 C ATOM 220 C TYR A 106 16.637 63.075 -3.159 1.00 34.78 C ATOM 221 O TYR A 106 15.865 62.403 -2.481 1.00 32.29 O ATOM 222 CB TYR A 106 18.103 62.136 -4.983 1.00 39.78 C ATOM 223 CG TYR A 106 18.120 60.647 -4.678 1.00 41.80 C ATOM 224 CD1 TYR A 106 17.738 59.712 -5.637 1.00 48.72 C ATOM 225 CD2 TYR A 106 18.523 60.176 -3.436 1.00 41.77 C ATOM 226 CE1 TYR A 106 17.758 58.349 -5.359 1.00 53.37 C ATOM 227 CE2 TYR A 106 18.546 58.825 -3.147 1.00 39.35 C ATOM 228 CZ TYR A 106 18.163 57.911 -4.106 1.00 49.17 C ATOM 229 OH TYR A 106 18.189 56.555 -3.814 1.00 50.02 O ATOM 230 HH TYR A 106 19.113 56.287 -3.579 1.00 0.00 H ATOM 231 H TYR A 106 17.470 64.480 -5.894 1.00 0.00 H ATOM 232 N ALA A 107 17.370 64.058 -2.648 1.00 34.83 N ATOM 233 CA ALA A 107 17.369 64.344 -1.214 1.00 36.44 C ATOM 234 C ALA A 107 15.977 64.756 -0.765 1.00 37.12 C ATOM 235 O ALA A 107 15.568 64.481 0.355 1.00 40.04 O ATOM 236 CB ALA A 107 18.371 65.431 -0.886 1.00 33.56 C ATOM 237 H ALA A 107 17.957 64.637 -3.282 1.00 0.00 H ATOM 238 N ALA A 108 15.242 65.408 -1.653 1.00 42.99 N ATOM 239 CA ALA A 108 13.903 65.852 -1.319 1.00 41.15 C ATOM 240 C ALA A 108 12.973 64.655 -1.151 1.00 40.28 C ATOM 241 O ALA A 108 12.146 64.649 -0.244 1.00 38.51 O ATOM 242 CB ALA A 108 13.376 66.809 -2.379 1.00 43.40 C ATOM 243 H ALA A 108 15.629 65.603 -2.598 1.00 0.00 H ATOM 244 N THR A 109 13.109 63.637 -2.006 1.00 42.03 N ATOM 245 CA THR A 109 12.228 62.462 -1.924 1.00 38.04 C ATOM 246 C THR A 109 12.449 61.668 -0.638 1.00 39.30 C ATOM 247 O THR A 109 11.516 61.069 -0.086 1.00 40.21 O ATOM 248 CB THR A 109 12.393 61.505 -3.128 1.00 40.35 C ATOM 249 OG1 THR A 109 13.740 61.017 -3.188 1.00 42.42 O ATOM 250 CG2 THR A 109 12.038 62.207 -4.425 1.00 42.14 C ATOM 251 HG1 THR A 109 14.362 61.780 -3.291 1.00 0.00 H ATOM 252 H THR A 109 13.847 63.676 -2.738 1.00 0.00 H ATOM 253 N ILE A 110 13.684 61.671 -0.155 1.00 39.41 N ATOM 254 CA ILE A 110 13.999 61.025 1.107 1.00 40.04 C ATOM 255 C ILE A 110 13.365 61.808 2.251 1.00 42.45 C ATOM 256 O ILE A 110 12.692 61.239 3.114 1.00 39.61 O ATOM 257 CB ILE A 110 15.520 60.905 1.295 1.00 37.41 C ATOM 258 CG1 ILE A 110 16.096 59.971 0.232 1.00 36.73 C ATOM 259 CG2 ILE A 110 15.860 60.403 2.700 1.00 36.66 C ATOM 260 CD1 ILE A 110 17.602 59.906 0.216 1.00 35.20 C ATOM 261 H ILE A 110 14.440 62.144 -0.689 1.00 0.00 H ATOM 262 N GLN A 111 13.560 63.121 2.242 1.00 37.88 N ATOM 263 CA GLN A 111 12.984 63.975 3.274 1.00 34.78 C ATOM 264 C GLN A 111 11.463 63.831 3.361 1.00 38.60 C ATOM 265 O GLN A 111 10.912 63.828 4.458 1.00 40.24 O ATOM 266 CB GLN A 111 13.327 65.436 3.018 1.00 44.84 C ATOM 267 CG GLN A 111 14.791 65.757 3.079 1.00 40.98 C ATOM 268 CD GLN A 111 15.059 67.190 2.672 1.00 42.27 C ATOM 269 OE1 GLN A 111 15.130 68.084 3.515 1.00 48.35 O ATOM 270 NE2 GLN A 111 15.207 67.418 1.372 1.00 39.83 N ATOM 271 HE22 GLN A 111 15.139 66.631 0.695 1.00 0.00 H ATOM 272 HE21 GLN A 111 15.391 68.383 1.031 1.00 0.00 H ATOM 273 H GLN A 111 14.133 63.548 1.486 1.00 0.00 H ATOM 274 N SER A 112 10.789 63.736 2.213 1.00 38.38 N ATOM 275 CA SER A 112 9.328 63.617 2.191 1.00 35.89 C ATOM 276 C SER A 112 8.876 62.287 2.777 1.00 36.69 C ATOM 277 O SER A 112 7.837 62.201 3.435 1.00 36.10 O ATOM 278 CB SER A 112 8.781 63.706 0.765 1.00 40.91 C ATOM 279 OG SER A 112 9.802 63.950 -0.181 1.00 47.52 O ATOM 280 HG SER A 112 10.250 64.807 0.032 1.00 0.00 H ATOM 281 H SER A 112 11.312 63.747 1.314 1.00 0.00 H ATOM 282 N GLN A 113 9.658 61.252 2.481 1.00 39.83 N ATOM 283 CA GLN A 113 9.376 59.871 2.858 1.00 39.39 C ATOM 284 C GLN A 113 9.586 59.732 4.346 1.00 44.08 C ATOM 285 O GLN A 113 8.776 59.136 5.068 1.00 40.18 O ATOM 286 CB GLN A 113 10.364 58.957 2.129 1.00 45.05 C ATOM 287 CG GLN A 113 9.808 57.655 1.624 1.00 49.68 C ATOM 288 CD GLN A 113 10.635 57.100 0.479 1.00 49.41 C ATOM 289 OE1 GLN A 113 11.832 56.848 0.623 1.00 48.55 O ATOM 290 NE2 GLN A 113 10.003 56.924 -0.672 1.00 66.90 N ATOM 291 HE22 GLN A 113 8.991 57.150 -0.749 1.00 0.00 H ATOM 292 HE21 GLN A 113 10.519 56.560 -1.498 1.00 0.00 H ATOM 293 H GLN A 113 10.529 61.440 1.945 1.00 0.00 H ATOM 294 N ARG A 114 10.701 60.291 4.794 1.00 39.24 N ATOM 295 CA ARG A 114 11.017 60.368 6.205 1.00 37.34 C ATOM 296 C ARG A 114 10.096 61.304 6.973 1.00 41.97 C ATOM 297 O ARG A 114 9.754 61.038 8.129 1.00 44.91 O ATOM 298 CB ARG A 114 12.443 60.867 6.375 1.00 38.82 C ATOM 299 CG ARG A 114 13.505 59.870 5.975 1.00 36.59 C ATOM 300 CD ARG A 114 14.860 60.465 6.275 1.00 38.44 C ATOM 301 NE ARG A 114 15.961 59.578 5.931 1.00 39.51 N ATOM 302 CZ ARG A 114 17.230 59.870 6.187 1.00 39.47 C ATOM 303 NH1 ARG A 114 17.530 61.008 6.807 1.00 37.03 N ATOM 304 NH2 ARG A 114 18.191 59.029 5.836 1.00 40.12 N ATOM 305 HE ARG A 114 15.744 58.675 5.464 1.00 0.00 H ATOM 306 HH12 ARG A 114 18.522 61.243 7.011 1.00 0.00 H ATOM 307 HH11 ARG A 114 16.772 61.663 7.088 1.00 0.00 H ATOM 308 HH22 ARG A 114 19.184 59.261 6.038 1.00 0.00 H ATOM 309 HH21 ARG A 114 17.952 58.137 5.358 1.00 0.00 H ATOM 310 H ARG A 114 11.373 60.689 4.107 1.00 0.00 H ATOM 311 N GLY A 115 9.693 62.399 6.338 1.00 38.76 N ATOM 312 CA GLY A 115 9.152 63.525 7.078 1.00 35.42 C ATOM 313 C GLY A 115 10.254 64.103 7.956 1.00 38.14 C ATOM 314 O GLY A 115 10.019 64.455 9.107 1.00 47.68 O ATOM 315 H GLY A 115 9.766 62.450 5.302 1.00 0.00 H ATOM 316 N ASP A 116 11.458 64.183 7.391 1.00 39.02 N ATOM 317 CA ASP A 116 12.672 64.619 8.076 1.00 35.33 C ATOM 318 C ASP A 116 13.100 65.945 7.479 1.00 42.66 C ATOM 319 O ASP A 116 13.680 65.981 6.390 1.00 41.00 O ATOM 320 CB ASP A 116 13.793 63.597 7.859 1.00 37.71 C ATOM 321 CG ASP A 116 15.120 64.031 8.460 1.00 39.97 C ATOM 322 OD1 ASP A 116 15.187 65.125 9.048 1.00 45.75 O ATOM 323 OD2 ASP A 116 16.109 63.279 8.334 1.00 40.52 O ATOM 324 H ASP A 116 11.539 63.916 6.389 1.00 0.00 H ATOM 325 N TYR A 117 12.828 67.032 8.195 1.00 47.30 N ATOM 326 CA TYR A 117 13.058 68.371 7.664 1.00 43.04 C ATOM 327 C TYR A 117 13.902 69.224 8.611 1.00 49.22 C ATOM 328 O TYR A 117 13.670 70.424 8.760 1.00 44.19 O ATOM 329 CB TYR A 117 11.712 69.032 7.361 1.00 42.59 C ATOM 330 CG TYR A 117 11.025 68.415 6.162 1.00 39.00 C ATOM 331 CD1 TYR A 117 10.038 67.446 6.308 1.00 39.00 C ATOM 332 CD2 TYR A 117 11.380 68.797 4.880 1.00 44.67 C ATOM 333 CE1 TYR A 117 9.428 66.876 5.200 1.00 42.40 C ATOM 334 CE2 TYR A 117 10.783 68.244 3.779 1.00 49.14 C ATOM 335 CZ TYR A 117 9.812 67.285 3.937 1.00 44.72 C ATOM 336 OH TYR A 117 9.239 66.759 2.809 1.00 46.63 O ATOM 337 HH TYR A 117 9.938 66.330 2.255 1.00 0.00 H ATOM 338 H TYR A 117 12.443 66.925 9.155 1.00 0.00 H ATOM 339 N ASN A 118 14.887 68.592 9.244 1.00 49.93 N ATOM 340 CA ASN A 118 15.839 69.309 10.082 1.00 48.56 C ATOM 341 C ASN A 118 16.511 70.419 9.286 1.00 53.75 C ATOM 342 O ASN A 118 16.723 71.511 9.785 1.00 66.09 O ATOM 343 CB ASN A 118 16.887 68.351 10.651 1.00 51.01 C ATOM 344 CG ASN A 118 17.817 67.793 9.584 1.00 52.07 C ATOM 345 OD1 ASN A 118 18.967 68.222 9.464 1.00 49.88 O ATOM 346 ND2 ASN A 118 17.322 66.836 8.800 1.00 53.14 N ATOM 347 HD22 ASN A 118 16.346 66.504 8.937 1.00 0.00 H ATOM 348 HD21 ASN A 118 17.912 66.421 8.051 1.00 0.00 H ATOM 349 H ASN A 118 14.980 67.562 9.138 1.00 0.00 H ATOM 350 N GLY A 119 16.845 70.128 8.036 1.00 59.33 N ATOM 351 CA GLY A 119 17.339 71.138 7.122 1.00 56.82 C ATOM 352 C GLY A 119 18.784 71.547 7.325 1.00 59.15 C ATOM 353 O GLY A 119 19.202 72.590 6.823 1.00 66.09 O ATOM 354 H GLY A 119 16.750 69.148 7.702 1.00 0.00 H ATOM 355 N LYS A 120 19.558 70.757 8.058 1.00 55.08 N ATOM 356 CA LYS A 120 20.984 71.039 8.127 1.00 58.62 C ATOM 357 C LYS A 120 21.804 69.921 7.506 1.00 52.20 C ATOM 358 O LYS A 120 22.765 70.177 6.777 1.00 55.17 O ATOM 359 CB LYS A 120 21.451 71.316 9.560 1.00 61.22 C ATOM 360 CG LYS A 120 22.881 71.884 9.638 1.00 73.92 C ATOM 361 CD LYS A 120 22.935 73.369 9.260 1.00 73.02 C ATOM 362 CE LYS A 120 24.351 73.825 8.889 1.00 69.70 C ATOM 363 NZ LYS A 120 24.751 73.404 7.509 1.00 68.24 N ATOM 364 HZ1 LYS A 120 24.722 72.367 7.442 1.00 0.00 H ATOM 365 HZ2 LYS A 120 24.092 73.815 6.818 1.00 0.00 H ATOM 366 HZ3 LYS A 120 25.716 73.739 7.312 1.00 0.00 H ATOM 367 H LYS A 120 19.153 69.950 8.574 1.00 0.00 H ATOM 368 N VAL A 121 21.407 68.683 7.776 1.00 47.12 N ATOM 369 CA VAL A 121 22.191 67.525 7.369 1.00 46.65 C ATOM 370 C VAL A 121 21.297 66.330 6.997 1.00 44.01 C ATOM 371 O VAL A 121 20.182 66.183 7.512 1.00 43.01 O ATOM 372 CB VAL A 121 23.165 67.126 8.499 1.00 39.67 C ATOM 373 CG1 VAL A 121 22.389 66.625 9.721 1.00 48.73 C ATOM 374 CG2 VAL A 121 24.132 66.073 8.021 1.00 48.31 C ATOM 375 H VAL A 121 20.515 68.537 8.290 1.00 0.00 H ATOM 376 N LEU A 122 21.784 65.489 6.089 1.00 41.60 N ATOM 377 CA LEU A 122 21.046 64.306 5.671 1.00 43.17 C ATOM 378 C LEU A 122 21.994 63.143 5.410 1.00 39.18 C ATOM 379 O LEU A 122 22.758 63.167 4.441 1.00 46.05 O ATOM 380 CB LEU A 122 20.239 64.588 4.394 1.00 42.50 C ATOM 381 CG LEU A 122 19.378 63.427 3.884 1.00 32.14 C ATOM 382 CD1 LEU A 122 18.118 63.311 4.731 1.00 44.76 C ATOM 383 CD2 LEU A 122 19.011 63.616 2.419 1.00 45.72 C ATOM 384 H LEU A 122 22.715 65.681 5.667 1.00 0.00 H ATOM 385 N SER A 123 21.946 62.123 6.259 1.00 42.77 N ATOM 386 CA SER A 123 22.729 60.910 6.010 1.00 42.71 C ATOM 387 C SER A 123 21.933 59.927 5.161 1.00 41.05 C ATOM 388 O SER A 123 20.763 59.661 5.431 1.00 40.40 O ATOM 389 CB SER A 123 23.145 60.247 7.318 1.00 40.31 C ATOM 390 OG SER A 123 23.774 61.181 8.183 1.00 47.18 O ATOM 391 HG SER A 123 24.034 60.727 9.024 1.00 0.00 H ATOM 392 H SER A 123 21.348 62.186 7.107 1.00 0.00 H ATOM 393 N ILE A 124 22.580 59.387 4.137 1.00 45.17 N ATOM 394 CA ILE A 124 21.938 58.460 3.215 1.00 46.99 C ATOM 395 C ILE A 124 22.594 57.095 3.326 1.00 40.57 C ATOM 396 O ILE A 124 23.741 56.992 3.757 1.00 45.56 O ATOM 397 CB ILE A 124 22.118 58.939 1.769 1.00 42.51 C ATOM 398 CG1 ILE A 124 23.610 58.980 1.436 1.00 47.38 C ATOM 399 CG2 ILE A 124 21.520 60.320 1.588 1.00 38.22 C ATOM 400 CD1 ILE A 124 23.915 59.419 0.046 1.00 48.11 C ATOM 401 H ILE A 124 23.579 59.634 3.987 1.00 0.00 H ATOM 402 N ARG A 125 21.875 56.053 2.918 1.00 37.98 N ATOM 403 CA ARG A 125 22.429 54.708 2.862 1.00 45.10 C ATOM 404 C ARG A 125 23.583 54.607 1.852 1.00 50.09 C ATOM 405 O ARG A 125 23.573 55.266 0.808 1.00 44.56 O ATOM 406 CB ARG A 125 21.329 53.705 2.502 1.00 41.27 C ATOM 407 CG ARG A 125 20.066 53.876 3.324 1.00 34.86 C ATOM 408 CD ARG A 125 19.031 52.841 2.947 1.00 31.28 C ATOM 409 NE ARG A 125 17.861 52.940 3.807 1.00 33.64 N ATOM 410 CZ ARG A 125 16.794 52.152 3.734 1.00 32.88 C ATOM 411 NH1 ARG A 125 16.726 51.200 2.821 1.00 40.13 N ATOM 412 NH2 ARG A 125 15.784 52.323 4.574 1.00 35.67 N ATOM 413 HE ARG A 125 17.860 53.684 4.534 1.00 0.00 H ATOM 414 HH12 ARG A 125 15.887 50.587 2.770 1.00 0.00 H ATOM 415 HH11 ARG A 125 17.511 51.063 2.153 1.00 0.00 H ATOM 416 HH22 ARG A 125 14.949 51.706 4.516 1.00 0.00 H ATOM 417 HH21 ARG A 125 15.826 53.075 5.291 1.00 0.00 H ATOM 418 H ARG A 125 20.887 56.204 2.630 1.00 0.00 H ATOM 419 N GLN A 126 24.575 53.777 2.171 1.00 45.63 N ATOM 420 CA GLN A 126 25.736 53.583 1.302 1.00 53.36 C ATOM 421 C GLN A 126 25.319 53.076 -0.086 1.00 55.20 C ATOM 422 O GLN A 126 26.054 53.227 -1.061 1.00 55.15 O ATOM 423 CB GLN A 126 26.723 52.600 1.946 1.00 56.58 C ATOM 424 CG GLN A 126 28.055 52.459 1.214 1.00 59.11 C ATOM 425 CD GLN A 126 28.981 53.629 1.469 1.00 67.29 C ATOM 426 OE1 GLN A 126 29.022 54.173 2.578 1.00 67.44 O ATOM 427 NE2 GLN A 126 29.727 54.032 0.442 1.00 69.51 N ATOM 428 HE22 GLN A 126 29.659 53.543 -0.474 1.00 0.00 H ATOM 429 HE21 GLN A 126 30.378 54.835 0.556 1.00 0.00 H ATOM 430 H GLN A 126 24.523 53.250 3.066 1.00 0.00 H ATOM 431 N ASP A 127 24.135 52.478 -0.167 1.00 54.10 N ATOM 432 CA ASP A 127 23.599 52.003 -1.436 1.00 55.06 C ATOM 433 C ASP A 127 22.906 53.105 -2.219 1.00 55.79 C ATOM 434 O ASP A 127 22.660 52.959 -3.411 1.00 58.06 O ATOM 435 CB ASP A 127 22.613 50.864 -1.196 1.00 62.30 C ATOM 436 CG ASP A 127 23.116 49.538 -1.737 1.00 77.20 C ATOM 437 OD1 ASP A 127 23.447 49.468 -2.946 1.00 74.75 O ATOM 438 OD2 ASP A 127 23.193 48.568 -0.950 1.00 76.00 O ATOM 439 H ASP A 127 23.575 52.345 0.699 1.00 0.00 H ATOM 440 N ASP A 128 22.561 54.197 -1.547 1.00 50.00 N ATOM 441 CA ASP A 128 22.037 55.364 -2.240 1.00 48.34 C ATOM 442 C ASP A 128 23.116 56.000 -3.107 1.00 47.34 C ATOM 443 O ASP A 128 22.812 56.828 -3.957 1.00 43.15 O ATOM 444 CB ASP A 128 21.513 56.407 -1.251 1.00 43.08 C ATOM 445 CG ASP A 128 20.155 56.037 -0.663 1.00 45.10 C ATOM 446 OD1 ASP A 128 19.226 55.712 -1.440 1.00 43.28 O ATOM 447 OD2 ASP A 128 20.021 56.079 0.583 1.00 45.56 O ATOM 448 H ASP A 128 22.667 54.218 -0.513 1.00 0.00 H ATOM 449 N LEU A 129 24.374 55.629 -2.883 1.00 43.84 N ATOM 450 CA LEU A 129 25.470 56.202 -3.656 1.00 47.88 C ATOM 451 C LEU A 129 25.570 55.581 -5.044 1.00 50.02 C ATOM 452 O LEU A 129 25.962 56.240 -6.006 1.00 47.29 O ATOM 453 CB LEU A 129 26.808 56.045 -2.933 1.00 54.01 C ATOM 454 CG LEU A 129 28.008 56.405 -3.819 1.00 59.50 C ATOM 455 CD1 LEU A 129 27.787 57.752 -4.480 1.00 54.23 C ATOM 456 CD2 LEU A 129 29.325 56.396 -3.052 1.00 55.48 C ATOM 457 H LEU A 129 24.578 54.922 -2.148 1.00 0.00 H ATOM 458 N ARG A 130 25.224 54.305 -5.137 1.00 45.55 N ATOM 459 CA ARG A 130 25.247 53.616 -6.408 1.00 52.01 C ATOM 460 C ARG A 130 24.116 54.116 -7.305 1.00 47.88 C ATOM 461 O ARG A 130 24.279 54.237 -8.525 1.00 41.50 O ATOM 462 CB ARG A 130 25.177 52.102 -6.182 1.00 56.81 C ATOM 463 CG ARG A 130 26.351 51.591 -5.345 1.00 60.53 C ATOM 464 CD ARG A 130 26.104 50.207 -4.740 1.00 70.55 C ATOM 465 NE ARG A 130 26.588 50.143 -3.362 1.00 72.23 N ATOM 466 CZ ARG A 130 26.476 49.080 -2.570 1.00 80.04 C ATOM 467 NH1 ARG A 130 25.898 47.970 -3.020 1.00 79.44 N ATOM 468 NH2 ARG A 130 26.946 49.124 -1.326 1.00 67.01 N ATOM 469 HE ARG A 130 27.053 50.988 -2.973 1.00 0.00 H ATOM 470 HH12 ARG A 130 25.812 47.140 -2.399 1.00 0.00 H ATOM 471 HH11 ARG A 130 25.532 47.932 -3.993 1.00 0.00 H ATOM 472 HH22 ARG A 130 26.858 48.293 -0.707 1.00 0.00 H ATOM 473 HH21 ARG A 130 27.401 49.990 -0.972 1.00 0.00 H ATOM 474 H ARG A 130 24.931 53.791 -4.282 1.00 0.00 H ATOM 475 N THR A 131 22.980 54.436 -6.694 1.00 39.52 N ATOM 476 CA THR A 131 21.820 54.865 -7.456 1.00 43.72 C ATOM 477 C THR A 131 22.014 56.308 -7.917 1.00 45.34 C ATOM 478 O THR A 131 21.656 56.658 -9.033 1.00 40.12 O ATOM 479 CB THR A 131 20.519 54.721 -6.645 1.00 42.76 C ATOM 480 OG1 THR A 131 20.737 53.823 -5.553 1.00 47.61 O ATOM 481 CG2 THR A 131 19.408 54.161 -7.523 1.00 51.52 C ATOM 482 HG1 THR A 131 21.453 54.181 -4.970 1.00 0.00 H ATOM 483 H THR A 131 22.921 54.379 -5.657 1.00 0.00 H ATOM 484 N LEU A 132 22.613 57.133 -7.067 1.00 38.49 N ATOM 485 CA LEU A 132 22.951 58.498 -7.460 1.00 45.90 C ATOM 486 C LEU A 132 23.989 58.515 -8.570 1.00 46.61 C ATOM 487 O LEU A 132 23.947 59.375 -9.458 1.00 39.02 O ATOM 488 CB LEU A 132 23.477 59.302 -6.271 1.00 44.74 C ATOM 489 CG LEU A 132 22.405 59.872 -5.342 1.00 47.68 C ATOM 490 CD1 LEU A 132 23.049 60.535 -4.142 1.00 49.45 C ATOM 491 CD2 LEU A 132 21.529 60.860 -6.098 1.00 43.29 C ATOM 492 H LEU A 132 22.845 56.803 -6.108 1.00 0.00 H ATOM 493 N ALA A 133 24.930 57.577 -8.490 1.00 38.21 N ATOM 494 CA ALA A 133 25.997 57.465 -9.465 1.00 43.34 C ATOM 495 C ALA A 133 25.386 57.123 -10.827 1.00 41.49 C ATOM 496 O ALA A 133 25.837 57.608 -11.857 1.00 42.18 O ATOM 497 CB ALA A 133 27.015 56.409 -9.024 1.00 36.69 C ATOM 498 H ALA A 133 24.899 56.901 -7.700 1.00 0.00 H ATOM 499 N VAL A 134 24.331 56.315 -10.811 1.00 42.12 N ATOM 500 CA VAL A 134 23.609 55.956 -12.028 1.00 41.61 C ATOM 501 C VAL A 134 22.811 57.135 -12.571 1.00 43.17 C ATOM 502 O VAL A 134 22.800 57.392 -13.780 1.00 43.86 O ATOM 503 CB VAL A 134 22.629 54.786 -11.780 1.00 41.27 C ATOM 504 CG1 VAL A 134 21.695 54.615 -12.970 1.00 47.98 C ATOM 505 CG2 VAL A 134 23.390 53.502 -11.512 1.00 39.61 C ATOM 506 H VAL A 134 24.009 55.926 -9.902 1.00 0.00 H ATOM 507 N ILE A 135 22.125 57.837 -11.676 1.00 35.86 N ATOM 508 CA ILE A 135 21.375 59.032 -12.044 1.00 40.61 C ATOM 509 C ILE A 135 22.306 60.090 -12.625 1.00 44.64 C ATOM 510 O ILE A 135 21.936 60.811 -13.543 1.00 46.06 O ATOM 511 CB ILE A 135 20.631 59.620 -10.831 1.00 42.35 C ATOM 512 CG1 ILE A 135 19.528 58.671 -10.373 1.00 42.92 C ATOM 513 CG2 ILE A 135 20.048 60.987 -11.163 1.00 40.48 C ATOM 514 CD1 ILE A 135 18.878 59.069 -9.050 1.00 36.36 C ATOM 515 H ILE A 135 22.123 57.525 -10.684 1.00 0.00 H ATOM 516 N TYR A 136 23.524 60.166 -12.101 1.00 42.99 N ATOM 517 CA TYR A 136 24.483 61.157 -12.576 1.00 44.83 C ATOM 518 C TYR A 136 25.303 60.614 -13.724 1.00 45.60 C ATOM 519 O TYR A 136 26.011 61.364 -14.393 1.00 44.68 O ATOM 520 CB TYR A 136 25.417 61.610 -11.451 1.00 50.18 C ATOM 521 CG TYR A 136 24.933 62.858 -10.751 1.00 47.19 C ATOM 522 CD1 TYR A 136 23.997 62.781 -9.732 1.00 51.41 C ATOM 523 CD2 TYR A 136 25.402 64.112 -11.114 1.00 46.25 C ATOM 524 CE1 TYR A 136 23.540 63.918 -9.090 1.00 49.39 C ATOM 525 CE2 TYR A 136 24.951 65.254 -10.477 1.00 47.65 C ATOM 526 CZ TYR A 136 24.020 65.149 -9.465 1.00 42.79 C ATOM 527 OH TYR A 136 23.563 66.274 -8.822 1.00 44.74 O ATOM 528 HH TYR A 136 23.131 66.876 -9.479 1.00 0.00 H ATOM 529 H TYR A 136 23.798 59.510 -11.342 1.00 0.00 H ATOM 530 N ASP A 137 25.224 59.308 -13.942 1.00 47.21 N ATOM 531 CA ASP A 137 25.925 58.708 -15.054 1.00 43.17 C ATOM 532 C ASP A 137 27.438 58.753 -14.850 1.00 50.72 C ATOM 533 O ASP A 137 28.196 58.936 -15.811 1.00 51.75 O ATOM 534 CB ASP A 137 25.559 59.470 -16.322 1.00 48.17 C ATOM 535 CG ASP A 137 25.691 58.633 -17.555 1.00 51.05 C ATOM 536 OD1 ASP A 137 25.602 57.393 -17.432 1.00 52.60 O ATOM 537 OD2 ASP A 137 25.874 59.218 -18.645 1.00 50.95 O ATOM 538 H ASP A 137 24.654 58.712 -13.308 1.00 0.00 H ATOM 539 N GLN A 138 27.876 58.600 -13.602 1.00 43.51 N ATOM 540 CA GLN A 138 29.300 58.505 -13.291 1.00 43.21 C ATOM 541 C GLN A 138 29.528 57.304 -12.393 1.00 43.38 C ATOM 542 O GLN A 138 28.576 56.709 -11.900 1.00 45.44 O ATOM 543 CB GLN A 138 29.786 59.758 -12.568 1.00 37.99 C ATOM 544 CG GLN A 138 29.378 61.057 -13.215 1.00 42.86 C ATOM 545 CD GLN A 138 29.779 62.251 -12.373 1.00 47.17 C ATOM 546 OE1 GLN A 138 29.677 62.225 -11.143 1.00 44.81 O ATOM 547 NE2 GLN A 138 30.251 63.299 -13.027 1.00 50.40 N ATOM 548 HE22 GLN A 138 30.319 63.277 -14.065 1.00 0.00 H ATOM 549 HE21 GLN A 138 30.554 64.145 -12.504 1.00 0.00 H ATOM 550 H GLN A 138 27.185 58.547 -12.827 1.00 0.00 H ATOM 551 N SER A 139 30.785 56.949 -12.165 1.00 40.72 N ATOM 552 CA SER A 139 31.081 55.873 -11.241 1.00 43.18 C ATOM 553 C SER A 139 30.850 56.414 -9.845 1.00 47.46 C ATOM 554 O SER A 139 31.034 57.608 -9.609 1.00 41.73 O ATOM 555 CB SER A 139 32.530 55.418 -11.381 1.00 43.13 C ATOM 556 OG SER A 139 33.413 56.503 -11.160 1.00 51.38 O ATOM 557 HG SER A 139 33.274 56.860 -10.247 1.00 0.00 H ATOM 558 H SER A 139 31.560 57.444 -12.650 1.00 0.00 H ATOM 559 N PRO A 140 30.454 55.540 -8.911 1.00 50.02 N ATOM 560 CA PRO A 140 30.228 56.020 -7.551 1.00 43.72 C ATOM 561 C PRO A 140 31.442 56.817 -7.099 1.00 49.94 C ATOM 562 O PRO A 140 31.318 57.832 -6.417 1.00 48.69 O ATOM 563 CB PRO A 140 30.096 54.727 -6.744 1.00 49.60 C ATOM 564 CG PRO A 140 29.603 53.711 -7.744 1.00 50.63 C ATOM 565 CD PRO A 140 30.301 54.077 -9.024 1.00 54.02 C ATOM 566 N SER A 141 32.616 56.367 -7.519 1.00 46.06 N ATOM 567 CA SER A 141 33.861 56.995 -7.113 1.00 46.50 C ATOM 568 C SER A 141 33.979 58.432 -7.641 1.00 52.06 C ATOM 569 O SER A 141 34.218 59.365 -6.866 1.00 48.17 O ATOM 570 CB SER A 141 35.038 56.161 -7.608 1.00 50.78 C ATOM 571 OG SER A 141 36.186 56.427 -6.830 1.00 60.23 O ATOM 572 HG SER A 141 36.942 55.880 -7.161 1.00 0.00 H ATOM 573 H SER A 141 32.646 55.544 -8.155 1.00 0.00 H ATOM 574 N VAL A 142 33.831 58.610 -8.954 1.00 45.11 N ATOM 575 CA VAL A 142 33.894 59.948 -9.559 1.00 47.82 C ATOM 576 C VAL A 142 32.866 60.877 -8.925 1.00 46.70 C ATOM 577 O VAL A 142 33.159 62.034 -8.638 1.00 49.34 O ATOM 578 CB VAL A 142 33.660 59.911 -11.100 1.00 50.98 C ATOM 579 CG1 VAL A 142 33.359 61.311 -11.662 1.00 46.81 C ATOM 580 CG2 VAL A 142 34.861 59.301 -11.811 1.00 56.01 C ATOM 581 H VAL A 142 33.667 57.784 -9.564 1.00 0.00 H ATOM 582 N LEU A 143 31.661 60.360 -8.708 1.00 44.72 N ATOM 583 CA LEU A 143 30.585 61.132 -8.098 1.00 41.12 C ATOM 584 C LEU A 143 30.965 61.640 -6.707 1.00 46.96 C ATOM 585 O LEU A 143 30.732 62.803 -6.372 1.00 40.05 O ATOM 586 CB LEU A 143 29.317 60.279 -8.018 1.00 43.03 C ATOM 587 CG LEU A 143 28.138 60.860 -7.237 1.00 46.79 C ATOM 588 CD1 LEU A 143 27.723 62.201 -7.805 1.00 43.12 C ATOM 589 CD2 LEU A 143 26.974 59.891 -7.253 1.00 47.15 C ATOM 590 H LEU A 143 31.480 59.373 -8.982 1.00 0.00 H ATOM 591 N THR A 144 31.554 60.757 -5.905 1.00 47.37 N ATOM 592 CA THR A 144 31.888 61.071 -4.523 1.00 36.26 C ATOM 593 C THR A 144 32.855 62.232 -4.462 1.00 44.61 C ATOM 594 O THR A 144 32.702 63.154 -3.655 1.00 47.44 O ATOM 595 CB THR A 144 32.563 59.880 -3.824 1.00 42.31 C ATOM 596 OG1 THR A 144 31.687 58.755 -3.852 1.00 46.31 O ATOM 597 CG2 THR A 144 32.884 60.215 -2.361 1.00 37.77 C ATOM 598 HG1 THR A 144 31.487 58.517 -4.792 1.00 0.00 H ATOM 599 H THR A 144 31.783 59.813 -6.277 1.00 0.00 H ATOM 600 N GLU A 145 33.870 62.162 -5.309 1.00 50.73 N ATOM 601 CA GLU A 145 34.933 63.142 -5.307 1.00 46.92 C ATOM 602 C GLU A 145 34.360 64.487 -5.722 1.00 49.85 C ATOM 603 O GLU A 145 34.791 65.527 -5.226 1.00 48.07 O ATOM 604 CB GLU A 145 36.055 62.654 -6.221 1.00 53.66 C ATOM 605 CG GLU A 145 36.862 63.706 -6.940 1.00 60.17 C ATOM 606 CD GLU A 145 37.755 63.076 -8.005 1.00 75.76 C ATOM 607 OE1 GLU A 145 37.597 63.409 -9.205 1.00 69.46 O ATOM 608 OE2 GLU A 145 38.600 62.224 -7.640 1.00 75.77 O ATOM 609 H GLU A 145 33.904 61.381 -5.995 1.00 0.00 H ATOM 610 N GLN A 146 33.356 64.469 -6.594 1.00 44.94 N ATOM 611 CA GLN A 146 32.697 65.708 -6.981 1.00 46.21 C ATOM 612 C GLN A 146 31.927 66.321 -5.819 1.00 48.45 C ATOM 613 O GLN A 146 32.053 67.512 -5.538 1.00 47.62 O ATOM 614 CB GLN A 146 31.756 65.492 -8.160 1.00 48.39 C ATOM 615 CG GLN A 146 32.277 66.085 -9.455 1.00 54.17 C ATOM 616 CD GLN A 146 31.163 66.579 -10.355 1.00 61.75 C ATOM 617 OE1 GLN A 146 30.213 65.848 -10.651 1.00 63.67 O ATOM 618 NE2 GLN A 146 31.267 67.831 -10.789 1.00 62.90 N ATOM 619 HE22 GLN A 146 32.086 68.410 -10.514 1.00 0.00 H ATOM 620 HE21 GLN A 146 30.530 68.231 -11.404 1.00 0.00 H ATOM 621 H GLN A 146 33.040 63.566 -7.001 1.00 0.00 H ATOM 622 N LEU A 147 31.113 65.510 -5.155 1.00 45.90 N ATOM 623 CA LEU A 147 30.352 65.993 -4.015 1.00 48.09 C ATOM 624 C LEU A 147 31.285 66.551 -2.947 1.00 45.83 C ATOM 625 O LEU A 147 31.004 67.598 -2.353 1.00 48.17 O ATOM 626 CB LEU A 147 29.475 64.884 -3.446 1.00 39.03 C ATOM 627 CG LEU A 147 28.412 64.348 -4.403 1.00 44.76 C ATOM 628 CD1 LEU A 147 27.487 63.401 -3.659 1.00 44.97 C ATOM 629 CD2 LEU A 147 27.621 65.485 -5.040 1.00 39.87 C ATOM 630 H LEU A 147 31.019 64.518 -5.454 1.00 0.00 H ATOM 631 N ILE A 148 32.402 65.862 -2.718 1.00 42.35 N ATOM 632 CA ILE A 148 33.400 66.336 -1.762 1.00 48.72 C ATOM 633 C ILE A 148 34.012 67.650 -2.230 1.00 48.98 C ATOM 634 O ILE A 148 34.307 68.527 -1.423 1.00 48.77 O ATOM 635 CB ILE A 148 34.538 65.325 -1.560 1.00 49.73 C ATOM 636 CG1 ILE A 148 34.069 64.140 -0.711 1.00 48.36 C ATOM 637 CG2 ILE A 148 35.727 66.000 -0.899 1.00 43.30 C ATOM 638 CD1 ILE A 148 35.017 62.969 -0.751 1.00 42.21 C ATOM 639 H ILE A 148 32.566 64.971 -3.229 1.00 0.00 H ATOM 640 N SER A 149 34.206 67.779 -3.536 1.00 47.27 N ATOM 641 CA SER A 149 34.839 68.966 -4.099 1.00 50.19 C ATOM 642 C SER A 149 33.924 70.170 -3.906 1.00 47.48 C ATOM 643 O SER A 149 34.397 71.304 -3.803 1.00 52.18 O ATOM 644 CB SER A 149 35.163 68.760 -5.586 1.00 49.03 C ATOM 645 OG SER A 149 34.053 69.081 -6.409 1.00 48.68 O ATOM 646 HG SER A 149 33.288 68.500 -6.171 1.00 0.00 H ATOM 647 H SER A 149 33.900 67.016 -4.173 1.00 0.00 H ATOM 648 N TRP A 150 32.618 69.913 -3.826 1.00 42.66 N ATOM 649 CA TRP A 150 31.630 70.973 -3.609 1.00 49.84 C ATOM 650 C TRP A 150 31.466 71.302 -2.122 1.00 48.33 C ATOM 651 O TRP A 150 30.772 72.252 -1.765 1.00 48.39 O ATOM 652 CB TRP A 150 30.258 70.562 -4.147 1.00 45.11 C ATOM 653 CG TRP A 150 30.184 70.266 -5.625 1.00 47.99 C ATOM 654 CD1 TRP A 150 31.071 70.640 -6.596 1.00 50.15 C ATOM 655 CD2 TRP A 150 29.154 69.526 -6.286 1.00 47.46 C ATOM 656 NE1 TRP A 150 30.652 70.181 -7.822 1.00 44.71 N ATOM 657 CE2 TRP A 150 29.475 69.489 -7.660 1.00 46.83 C ATOM 658 CE3 TRP A 150 27.985 68.887 -5.855 1.00 45.19 C ATOM 659 CZ2 TRP A 150 28.678 68.837 -8.603 1.00 50.96 C ATOM 660 CZ3 TRP A 150 27.188 68.240 -6.797 1.00 52.25 C ATOM 661 CH2 TRP A 150 27.541 68.222 -8.153 1.00 40.44 C ATOM 662 HE1 TRP A 150 31.145 70.332 -8.725 1.00 0.00 H ATOM 663 H TRP A 150 32.291 68.930 -3.920 1.00 0.00 H ATOM 664 N GLY A 151 32.077 70.498 -1.260 1.00 50.58 N ATOM 665 CA GLY A 151 31.908 70.646 0.176 1.00 46.12 C ATOM 666 C GLY A 151 30.509 70.286 0.649 1.00 50.96 C ATOM 667 O GLY A 151 30.087 70.683 1.734 1.00 49.84 O ATOM 668 H GLY A 151 32.693 69.742 -1.622 1.00 0.00 H ATOM 669 N VAL A 152 29.772 69.545 -0.165 1.00 48.92 N ATOM 670 CA VAL A 152 28.463 69.065 0.251 1.00 52.41 C ATOM 671 C VAL A 152 28.648 67.802 1.097 1.00 49.69 C ATOM 672 O VAL A 152 28.044 67.660 2.160 1.00 53.05 O ATOM 673 CB VAL A 152 27.555 68.806 -0.975 1.00 48.21 C ATOM 674 CG1 VAL A 152 26.447 67.803 -0.641 1.00 48.35 C ATOM 675 CG2 VAL A 152 26.974 70.131 -1.486 1.00 45.54 C ATOM 676 H VAL A 152 30.132 69.304 -1.110 1.00 0.00 H ATOM 677 N LEU A 153 29.517 66.906 0.638 1.00 52.61 N ATOM 678 CA LEU A 153 29.780 65.645 1.339 1.00 55.27 C ATOM 679 C LEU A 153 31.066 65.676 2.173 1.00 55.13 C ATOM 680 O LEU A 153 32.159 65.859 1.629 1.00 49.37 O ATOM 681 CB LEU A 153 29.867 64.503 0.328 1.00 49.27 C ATOM 682 CG LEU A 153 30.086 63.134 0.961 1.00 51.53 C ATOM 683 CD1 LEU A 153 28.750 62.548 1.382 1.00 52.76 C ATOM 684 CD2 LEU A 153 30.802 62.214 -0.009 1.00 44.24 C ATOM 685 H LEU A 153 30.026 67.106 -0.246 1.00 0.00 H ATOM 686 N ASP A 154 30.933 65.484 3.485 1.00 61.49 N ATOM 687 CA ASP A 154 32.073 65.526 4.396 1.00 59.34 C ATOM 688 C ASP A 154 33.196 64.619 3.891 1.00 59.59 C ATOM 689 O ASP A 154 32.956 63.470 3.530 1.00 53.97 O ATOM 690 CB ASP A 154 31.637 65.094 5.798 1.00 70.48 C ATOM 691 CG ASP A 154 32.579 65.581 6.888 1.00 70.97 C ATOM 692 OD1 ASP A 154 33.717 66.000 6.576 1.00 75.39 O ATOM 693 OD2 ASP A 154 32.175 65.538 8.068 1.00 75.38 O ATOM 694 H ASP A 154 29.986 65.298 3.873 1.00 0.00 H ATOM 695 N ALA A 155 34.420 65.143 3.880 1.00 61.46 N ATOM 696 CA ALA A 155 35.587 64.429 3.355 1.00 59.84 C ATOM 697 C ALA A 155 35.782 63.039 3.959 1.00 74.38 C ATOM 698 O ALA A 155 36.599 62.251 3.474 1.00 78.50 O ATOM 699 CB ALA A 155 36.854 65.267 3.536 1.00 62.39 C ATOM 700 H ALA A 155 34.554 66.101 4.261 1.00 0.00 H ATOM 701 N ASP A 156 35.021 62.734 5.005 1.00 78.04 N ATOM 702 CA ASP A 156 35.108 61.434 5.674 1.00 80.54 C ATOM 703 C ASP A 156 34.891 60.234 4.730 1.00 76.54 C ATOM 704 O ASP A 156 35.463 59.164 4.951 1.00 82.58 O ATOM 705 CB ASP A 156 34.098 61.372 6.827 1.00 71.02 C ATOM 706 CG ASP A 156 34.645 60.663 8.058 1.00 83.91 C ATOM 707 OD1 ASP A 156 35.496 59.760 7.910 1.00 85.93 O ATOM 708 OD2 ASP A 156 34.215 61.018 9.178 1.00 70.91 O ATOM 709 H ASP A 156 34.344 63.439 5.359 1.00 0.00 H ATOM 710 N ALA A 157 34.076 60.414 3.688 1.00 80.68 N ATOM 711 CA ALA A 157 33.676 59.313 2.799 1.00 74.13 C ATOM 712 C ALA A 157 34.679 59.018 1.682 1.00 74.08 C ATOM 713 O ALA A 157 34.489 58.084 0.896 1.00 73.47 O ATOM 714 CB ALA A 157 32.303 59.587 2.211 1.00 63.27 C ATOM 715 H ALA A 157 33.710 61.369 3.498 1.00 0.00 H TER 716 ALA A 157 ATOM 717 N PRO R 83 2.128 47.845 7.439 1.00 59.56 N ATOM 718 CA PRO R 83 2.207 48.115 8.886 1.00 56.63 C ATOM 719 C PRO R 83 3.643 48.408 9.346 1.00 52.35 C ATOM 720 O PRO R 83 4.447 47.486 9.491 1.00 57.40 O ATOM 721 CB PRO R 83 1.675 46.822 9.525 1.00 51.29 C ATOM 722 CG PRO R 83 1.700 45.789 8.431 1.00 58.45 C ATOM 723 CD PRO R 83 1.516 46.540 7.141 1.00 56.95 C ATOM 724 HN2 PRO R 83 3.090 47.861 7.044 1.00 0.00 H ATOM 725 HN1 PRO R 83 1.558 48.591 6.991 1.00 0.00 H ATOM 726 N LYS R 84 3.952 49.683 9.567 1.00 44.58 N ATOM 727 CA LYS R 84 5.312 50.114 9.892 1.00 47.78 C ATOM 728 C LYS R 84 5.825 49.547 11.231 1.00 47.64 C ATOM 729 O LYS R 84 5.091 49.491 12.217 1.00 42.67 O ATOM 730 CB LYS R 84 5.373 51.641 9.920 1.00 43.06 C ATOM 731 CG LYS R 84 6.774 52.192 9.763 1.00 47.91 C ATOM 732 CD LYS R 84 6.818 53.667 10.092 1.00 49.47 C ATOM 733 CE LYS R 84 8.234 54.217 10.019 1.00 49.64 C ATOM 734 NZ LYS R 84 8.233 55.684 9.747 1.00 51.94 N ATOM 735 HZ1 LYS R 84 7.759 55.867 8.839 1.00 0.00 H ATOM 736 HZ2 LYS R 84 7.725 56.176 10.510 1.00 0.00 H ATOM 737 HZ3 LYS R 84 9.214 56.028 9.703 1.00 0.00 H ATOM 738 H LYS R 84 3.200 50.399 9.507 1.00 0.00 H ATOM 739 N LEU R 85 7.094 49.139 11.256 1.00 46.26 N ATOM 740 CA LEU R 85 7.679 48.496 12.431 1.00 45.77 C ATOM 741 C LEU R 85 8.228 49.519 13.423 1.00 47.20 C ATOM 742 O LEU R 85 9.432 49.806 13.460 1.00 41.64 O ATOM 743 CB LEU R 85 8.772 47.497 12.028 1.00 43.15 C ATOM 744 CG LEU R 85 8.331 46.311 11.163 1.00 47.71 C ATOM 745 CD1 LEU R 85 9.537 45.505 10.686 1.00 41.56 C ATOM 746 CD2 LEU R 85 7.355 45.416 11.908 1.00 48.47 C ATOM 747 H LEU R 85 7.686 49.283 10.413 1.00 0.00 H ATOM 748 N VAL R 86 7.318 50.059 14.226 1.00 44.08 N ATOM 749 CA VAL R 86 7.661 50.978 15.292 1.00 47.78 C ATOM 750 C VAL R 86 7.526 50.208 16.591 1.00 42.78 C ATOM 751 O VAL R 86 6.449 49.730 16.945 1.00 46.86 O ATOM 752 CB VAL R 86 6.754 52.224 15.279 1.00 52.69 C ATOM 753 CG1 VAL R 86 6.999 53.037 14.009 1.00 50.01 C ATOM 754 CG2 VAL R 86 5.290 51.819 15.376 1.00 60.62 C ATOM 755 H VAL R 86 6.318 49.812 14.083 1.00 0.00 H ATOM 756 N LEU R 87 8.645 50.049 17.278 1.00 42.49 N ATOM 757 CA LEU R 87 8.691 49.152 18.410 1.00 41.28 C ATOM 758 C LEU R 87 8.781 49.955 19.694 1.00 41.81 C ATOM 759 O LEU R 87 9.517 50.933 19.776 1.00 43.99 O ATOM 760 CB LEU R 87 9.871 48.188 18.272 1.00 39.63 C ATOM 761 CG LEU R 87 9.987 47.480 16.915 1.00 43.47 C ATOM 762 CD1 LEU R 87 11.127 46.471 16.932 1.00 40.70 C ATOM 763 CD2 LEU R 87 8.675 46.798 16.537 1.00 40.46 C ATOM 764 H LEU R 87 9.499 50.574 17.001 1.00 0.00 H ATOM 765 N ASP R 88 7.998 49.544 20.679 1.00 40.57 N ATOM 766 CA ASP R 88 8.015 50.157 21.998 1.00 47.49 C ATOM 767 C ASP R 88 8.950 49.345 22.886 1.00 45.02 C ATOM 768 O ASP R 88 8.573 48.295 23.405 1.00 47.16 O ATOM 769 CB ASP R 88 6.592 50.195 22.563 1.00 45.67 C ATOM 770 CG ASP R 88 6.530 50.744 23.974 1.00 51.63 C ATOM 771 OD1 ASP R 88 7.432 50.431 24.781 1.00 48.55 O ATOM 772 OD2 ASP R 88 5.564 51.480 24.277 1.00 48.09 O ATOM 773 H ASP R 88 7.346 48.753 20.503 1.00 0.00 H ATOM 774 N LEU R 89 10.175 49.838 23.039 1.00 44.93 N ATOM 775 CA LEU R 89 11.240 49.115 23.730 1.00 42.92 C ATOM 776 C LEU R 89 10.924 48.890 25.209 1.00 52.39 C ATOM 777 O LEU R 89 11.415 47.941 25.821 1.00 50.12 O ATOM 778 CB LEU R 89 12.556 49.892 23.611 1.00 45.22 C ATOM 779 CG LEU R 89 13.119 50.157 22.213 1.00 47.27 C ATOM 780 CD1 LEU R 89 14.060 51.357 22.219 1.00 42.24 C ATOM 781 CD2 LEU R 89 13.823 48.938 21.673 1.00 43.61 C ATOM 782 H LEU R 89 10.384 50.779 22.650 1.00 0.00 H ATOM 783 N GLU R 90 10.131 49.790 25.780 1.00 48.18 N ATOM 784 CA GLU R 90 9.720 49.693 27.170 1.00 48.90 C ATOM 785 C GLU R 90 8.682 48.582 27.326 1.00 49.34 C ATOM 786 O GLU R 90 8.631 47.899 28.340 1.00 57.62 O ATOM 787 CB GLU R 90 9.134 51.034 27.609 1.00 51.21 C ATOM 788 CG GLU R 90 8.999 51.213 29.099 1.00 58.68 C ATOM 789 CD GLU R 90 8.475 52.592 29.457 1.00 67.99 C ATOM 790 OE1 GLU R 90 9.291 53.468 29.817 1.00 61.66 O ATOM 791 OE2 GLU R 90 7.246 52.802 29.365 1.00 75.03 O ATOM 792 H GLU R 90 9.792 50.593 25.212 1.00 0.00 H ATOM 793 N ARG R 91 7.852 48.413 26.305 1.00 53.45 N ATOM 794 CA ARG R 91 6.816 47.390 26.293 1.00 52.10 C ATOM 795 C ARG R 91 7.472 46.029 26.175 1.00 54.37 C ATOM 796 O ARG R 91 7.132 45.092 26.894 1.00 50.38 O ATOM 797 CB ARG R 91 5.916 47.599 25.074 1.00 52.12 C ATOM 798 CG ARG R 91 4.440 47.759 25.363 1.00 57.72 C ATOM 799 CD ARG R 91 3.807 46.441 25.765 1.00 62.10 C ATOM 800 NE ARG R 91 3.712 46.323 27.216 1.00 68.12 N ATOM 801 CZ ARG R 91 3.188 45.283 27.855 1.00 67.10 C ATOM 802 NH1 ARG R 91 2.710 44.248 27.172 1.00 63.05 N ATOM 803 NH2 ARG R 91 3.147 45.278 29.182 1.00 70.93 N ATOM 804 HE ARG R 91 4.080 47.108 27.790 1.00 0.00 H ATOM 805 HH12 ARG R 91 2.301 43.436 27.677 1.00 0.00 H ATOM 806 HH11 ARG R 91 2.745 44.250 26.133 1.00 0.00 H ATOM 807 HH22 ARG R 91 2.738 44.466 29.687 1.00 0.00 H ATOM 808 HH21 ARG R 91 3.524 46.086 29.717 1.00 0.00 H ATOM 809 H ARG R 91 7.945 49.037 25.479 1.00 0.00 H ATOM 810 N LEU R 92 8.415 45.930 25.248 1.00 48.90 N ATOM 811 CA LEU R 92 9.030 44.657 24.910 1.00 53.61 C ATOM 812 C LEU R 92 9.901 44.123 26.052 1.00 49.79 C ATOM 813 O LEU R 92 10.047 42.909 26.217 1.00 43.73 O ATOM 814 CB LEU R 92 9.801 44.797 23.592 1.00 48.35 C ATOM 815 CG LEU R 92 11.224 44.283 23.402 1.00 47.42 C ATOM 816 CD1 LEU R 92 11.203 42.844 22.938 1.00 50.31 C ATOM 817 CD2 LEU R 92 11.945 45.139 22.369 1.00 47.89 C ATOM 818 H LEU R 92 8.724 46.788 24.748 1.00 0.00 H ATOM 819 N ALA R 93 10.455 45.028 26.853 1.00 47.90 N ATOM 820 CA ALA R 93 11.268 44.633 28.007 1.00 49.92 C ATOM 821 C ALA R 93 10.453 43.798 28.990 1.00 46.44 C ATOM 822 O ALA R 93 10.974 42.891 29.628 1.00 46.51 O ATOM 823 CB ALA R 93 11.823 45.862 28.709 1.00 45.40 C ATOM 824 H ALA R 93 10.308 46.039 26.656 1.00 0.00 H ATOM 825 N THR R 94 9.169 44.119 29.103 1.00 46.18 N ATOM 826 CA THR R 94 8.288 43.481 30.070 1.00 52.00 C ATOM 827 C THR R 94 7.796 42.145 29.538 1.00 49.85 C ATOM 828 O THR R 94 7.144 41.379 30.250 1.00 45.29 O ATOM 829 CB THR R 94 7.075 44.365 30.368 1.00 54.39 C ATOM 830 OG1 THR R 94 6.053 44.112 29.395 1.00 56.87 O ATOM 831 CG2 THR R 94 7.470 45.836 30.328 1.00 50.29 C ATOM 832 HG1 THR R 94 6.401 44.319 28.491 1.00 0.00 H ATOM 833 H THR R 94 8.779 44.853 28.478 1.00 0.00 H ATOM 834 N VAL R 95 8.127 41.863 28.284 1.00 48.20 N ATOM 835 CA VAL R 95 7.765 40.595 27.658 1.00 42.76 C ATOM 836 C VAL R 95 8.754 39.497 28.070 1.00 47.32 C ATOM 837 O VAL R 95 9.970 39.704 28.052 1.00 50.46 O ATOM 838 CB VAL R 95 7.724 40.741 26.131 1.00 45.99 C ATOM 839 CG1 VAL R 95 7.343 39.431 25.482 1.00 43.74 C ATOM 840 CG2 VAL R 95 6.729 41.829 25.740 1.00 49.63 C ATOM 841 H VAL R 95 8.659 42.565 27.732 1.00 0.00 H ATOM 842 N PRO R 96 8.231 38.327 28.467 1.00 42.62 N ATOM 843 CA PRO R 96 9.094 37.251 28.961 1.00 41.16 C ATOM 844 C PRO R 96 10.183 36.859 27.965 1.00 50.95 C ATOM 845 O PRO R 96 9.935 36.805 26.766 1.00 48.19 O ATOM 846 CB PRO R 96 8.116 36.087 29.191 1.00 50.68 C ATOM 847 CG PRO R 96 6.868 36.448 28.449 1.00 44.44 C ATOM 848 CD PRO R 96 6.809 37.943 28.463 1.00 49.29 C ATOM 849 N ALA R 97 11.367 36.555 28.488 1.00 39.77 N ATOM 850 CA ALA R 97 12.585 36.409 27.694 1.00 48.90 C ATOM 851 C ALA R 97 12.542 35.361 26.589 1.00 44.75 C ATOM 852 O ALA R 97 13.151 35.548 25.543 1.00 50.85 O ATOM 853 CB ALA R 97 13.769 36.121 28.621 1.00 36.99 C ATOM 854 H ALA R 97 11.430 36.414 29.516 1.00 0.00 H ATOM 855 N GLU R 98 11.863 34.246 26.820 1.00 55.92 N ATOM 856 CA GLU R 98 11.853 33.174 25.831 1.00 56.59 C ATOM 857 C GLU R 98 10.962 33.500 24.620 1.00 65.96 C ATOM 858 O GLU R 98 10.923 32.745 23.646 1.00 66.07 O ATOM 859 CB GLU R 98 11.474 31.842 26.490 1.00 70.96 C ATOM 860 CG GLU R 98 12.675 30.895 26.675 1.00 83.94 C ATOM 861 CD GLU R 98 12.749 30.261 28.060 1.00 96.56 C ATOM 862 OE1 GLU R 98 12.883 31.009 29.055 1.00 90.31 O ATOM 863 OE2 GLU R 98 12.683 29.012 28.153 1.00 86.32 O ATOM 864 H GLU R 98 11.336 34.135 27.710 1.00 0.00 H ATOM 865 N LYS R 99 10.278 34.639 24.670 1.00 56.26 N ATOM 866 CA LYS R 99 9.536 35.124 23.515 1.00 50.99 C ATOM 867 C LYS R 99 10.122 36.438 22.993 1.00 51.83 C ATOM 868 O LYS R 99 10.111 36.687 21.790 1.00 48.61 O ATOM 869 CB LYS R 99 8.062 35.343 23.857 1.00 50.77 C ATOM 870 CG LYS R 99 7.421 34.269 24.698 1.00 57.44 C ATOM 871 CD LYS R 99 5.903 34.280 24.564 1.00 65.35 C ATOM 872 CE LYS R 99 5.232 33.526 25.721 1.00 79.45 C ATOM 873 NZ LYS R 99 4.160 32.585 25.239 1.00 74.75 N ATOM 874 HZ1 LYS R 99 3.427 33.125 24.736 1.00 0.00 H ATOM 875 HZ2 LYS R 99 4.579 31.884 24.595 1.00 0.00 H ATOM 876 HZ3 LYS R 99 3.735 32.098 26.054 1.00 0.00 H ATOM 877 H LYS R 99 10.273 35.193 25.550 1.00 0.00 H ATOM 878 N ALA R 100 10.631 37.277 23.894 1.00 43.46 N ATOM 879 CA ALA R 100 11.109 38.608 23.513 1.00 44.98 C ATOM 880 C ALA R 100 12.587 38.611 23.150 1.00 42.34 C ATOM 881 O ALA R 100 13.062 39.544 22.512 1.00 45.46 O ATOM 882 CB ALA R 100 10.854 39.611 24.648 1.00 45.60 C ATOM 883 H ALA R 100 10.690 36.981 24.889 1.00 0.00 H ATOM 884 N GLY R 101 13.302 37.565 23.555 1.00 42.29 N ATOM 885 CA GLY R 101 14.755 37.532 23.487 1.00 43.25 C ATOM 886 C GLY R 101 15.350 37.916 22.143 1.00 41.32 C ATOM 887 O GLY R 101 16.013 38.960 22.023 1.00 41.54 O ATOM 888 H GLY R 101 12.802 36.737 23.936 1.00 0.00 H ATOM 889 N PRO R 102 15.121 37.075 21.118 1.00 44.59 N ATOM 890 CA PRO R 102 15.686 37.344 19.791 1.00 36.59 C ATOM 891 C PRO R 102 15.443 38.781 19.371 1.00 41.16 C ATOM 892 O PRO R 102 16.356 39.433 18.865 1.00 42.65 O ATOM 893 CB PRO R 102 14.907 36.389 18.883 1.00 49.90 C ATOM 894 CG PRO R 102 14.554 35.232 19.787 1.00 40.67 C ATOM 895 CD PRO R 102 14.260 35.879 21.126 1.00 41.43 C ATOM 896 N LEU R 103 14.230 39.276 19.601 1.00 40.68 N ATOM 897 CA LEU R 103 13.854 40.609 19.139 1.00 37.17 C ATOM 898 C LEU R 103 14.500 41.682 20.002 1.00 46.11 C ATOM 899 O LEU R 103 14.820 42.765 19.516 1.00 47.80 O ATOM 900 CB LEU R 103 12.328 40.756 19.131 1.00 43.08 C ATOM 901 CG LEU R 103 11.671 42.033 18.604 1.00 37.97 C ATOM 902 CD1 LEU R 103 11.320 42.968 19.736 1.00 51.96 C ATOM 903 CD2 LEU R 103 12.549 42.736 17.570 1.00 42.25 C ATOM 904 H LEU R 103 13.535 38.702 20.120 1.00 0.00 H ATOM 905 N GLN R 104 14.690 41.383 21.283 1.00 35.31 N ATOM 906 CA GLN R 104 15.371 42.307 22.189 1.00 43.89 C ATOM 907 C GLN R 104 16.819 42.439 21.755 1.00 37.26 C ATOM 908 O GLN R 104 17.369 43.529 21.674 1.00 44.47 O ATOM 909 CB GLN R 104 15.325 41.789 23.636 1.00 38.12 C ATOM 910 CG GLN R 104 14.005 42.002 24.348 1.00 45.52 C ATOM 911 CD GLN R 104 14.182 42.123 25.854 1.00 51.29 C ATOM 912 OE1 GLN R 104 14.919 41.354 26.460 1.00 50.40 O ATOM 913 NE2 GLN R 104 13.518 43.105 26.458 1.00 47.31 N ATOM 914 HE22 GLN R 104 12.903 43.735 25.904 1.00 0.00 H ATOM 915 HE21 GLN R 104 13.614 43.243 27.484 1.00 0.00 H ATOM 916 H GLN R 104 14.347 40.472 21.649 1.00 0.00 H ATOM 917 N ARG R 105 17.430 41.297 21.490 1.00 35.39 N ATOM 918 CA ARG R 105 18.812 41.230 21.062 1.00 37.95 C ATOM 919 C ARG R 105 19.002 41.803 19.637 1.00 45.07 C ATOM 920 O ARG R 105 20.046 42.377 19.314 1.00 41.21 O ATOM 921 CB ARG R 105 19.273 39.776 21.166 1.00 37.36 C ATOM 922 CG ARG R 105 20.549 39.461 20.425 1.00 46.54 C ATOM 923 CD ARG R 105 21.766 39.897 21.211 1.00 38.69 C ATOM 924 NE ARG R 105 22.985 39.470 20.534 1.00 45.54 N ATOM 925 CZ ARG R 105 24.128 40.141 20.581 1.00 53.71 C ATOM 926 NH1 ARG R 105 24.198 41.266 21.282 1.00 62.43 N ATOM 927 NH2 ARG R 105 25.196 39.702 19.920 1.00 46.67 N ATOM 928 HE ARG R 105 22.956 38.589 19.983 1.00 0.00 H ATOM 929 HH12 ARG R 105 25.091 41.798 21.324 1.00 0.00 H ATOM 930 HH11 ARG R 105 23.360 41.615 21.789 1.00 0.00 H ATOM 931 HH22 ARG R 105 26.089 40.234 19.962 1.00 0.00 H ATOM 932 HH21 ARG R 105 25.138 38.827 19.361 1.00 0.00 H ATOM 933 H ARG R 105 16.896 40.410 21.593 1.00 0.00 H ATOM 934 N TYR R 106 17.986 41.675 18.792 1.00 33.81 N ATOM 935 CA TYR R 106 18.049 42.273 17.465 1.00 39.78 C ATOM 936 C TYR R 106 17.970 43.790 17.583 1.00 41.98 C ATOM 937 O TYR R 106 18.855 44.505 17.130 1.00 43.03 O ATOM 938 CB TYR R 106 16.926 41.744 16.566 1.00 43.92 C ATOM 939 CG TYR R 106 16.947 42.348 15.179 1.00 49.04 C ATOM 940 CD1 TYR R 106 17.852 41.908 14.229 1.00 47.21 C ATOM 941 CD2 TYR R 106 16.081 43.375 14.831 1.00 40.12 C ATOM 942 CE1 TYR R 106 17.891 42.458 12.963 1.00 49.52 C ATOM 943 CE2 TYR R 106 16.111 43.934 13.561 1.00 47.01 C ATOM 944 CZ TYR R 106 17.018 43.470 12.629 1.00 51.69 C ATOM 945 OH TYR R 106 17.060 44.019 11.357 1.00 48.00 O ATOM 946 HH TYR R 106 17.765 43.568 10.827 1.00 0.00 H ATOM 947 H TYR R 106 17.139 41.144 19.079 1.00 0.00 H ATOM 948 N ALA R 107 16.887 44.277 18.171 1.00 40.67 N ATOM 949 CA ALA R 107 16.801 45.664 18.612 1.00 42.11 C ATOM 950 C ALA R 107 18.157 46.218 19.052 1.00 40.83 C ATOM 951 O ALA R 107 18.597 47.258 18.561 1.00 41.78 O ATOM 952 CB ALA R 107 15.804 45.782 19.763 1.00 41.33 C ATOM 953 H ALA R 107 16.072 43.649 18.323 1.00 0.00 H ATOM 954 N ALA R 108 18.819 45.536 19.981 1.00 39.34 N ATOM 955 CA ALA R 108 20.016 46.103 20.609 1.00 46.43 C ATOM 956 C ALA R 108 21.182 46.215 19.627 1.00 42.21 C ATOM 957 O ALA R 108 22.007 47.121 19.730 1.00 40.92 O ATOM 958 CB ALA R 108 20.423 45.294 21.843 1.00 42.49 C ATOM 959 H ALA R 108 18.485 44.593 20.265 1.00 0.00 H ATOM 960 N THR R 109 21.245 45.288 18.679 1.00 39.54 N ATOM 961 CA THR R 109 22.267 45.319 17.640 1.00 40.35 C ATOM 962 C THR R 109 22.048 46.532 16.727 1.00 39.59 C ATOM 963 O THR R 109 22.980 47.283 16.437 1.00 44.61 O ATOM 964 CB THR R 109 22.235 44.012 16.820 1.00 39.89 C ATOM 965 OG1 THR R 109 22.397 42.892 17.700 1.00 35.25 O ATOM 966 CG2 THR R 109 23.330 43.983 15.776 1.00 33.31 C ATOM 967 HG1 THR R 109 21.661 42.885 18.362 1.00 0.00 H ATOM 968 H THR R 109 20.546 44.518 18.677 1.00 0.00 H ATOM 969 N ILE R 110 20.810 46.742 16.295 1.00 36.18 N ATOM 970 CA ILE R 110 20.490 47.916 15.491 1.00 40.74 C ATOM 971 C ILE R 110 20.873 49.212 16.201 1.00 40.87 C ATOM 972 O ILE R 110 21.511 50.081 15.613 1.00 40.46 O ATOM 973 CB ILE R 110 18.997 47.964 15.102 1.00 42.39 C ATOM 974 CG1 ILE R 110 18.605 46.694 14.344 1.00 42.38 C ATOM 975 CG2 ILE R 110 18.700 49.185 14.262 1.00 36.90 C ATOM 976 CD1 ILE R 110 19.346 46.507 13.021 1.00 40.76 C ATOM 977 H ILE R 110 20.060 46.062 16.533 1.00 0.00 H ATOM 978 N GLN R 111 20.494 49.342 17.471 1.00 48.35 N ATOM 979 CA GLN R 111 20.799 50.556 18.227 1.00 37.68 C ATOM 980 C GLN R 111 22.297 50.773 18.363 1.00 36.28 C ATOM 981 O GLN R 111 22.762 51.902 18.484 1.00 45.22 O ATOM 982 CB GLN R 111 20.176 50.507 19.610 1.00 42.61 C ATOM 983 CG GLN R 111 18.726 50.924 19.683 1.00 45.18 C ATOM 984 CD GLN R 111 18.213 50.881 21.118 1.00 50.78 C ATOM 985 OE1 GLN R 111 17.748 51.888 21.665 1.00 48.57 O ATOM 986 NE2 GLN R 111 18.312 49.716 21.737 1.00 42.96 N ATOM 987 HE22 GLN R 111 18.710 48.894 21.239 1.00 0.00 H ATOM 988 HE21 GLN R 111 17.992 49.622 22.722 1.00 0.00 H ATOM 989 H GLN R 111 19.973 48.569 17.932 1.00 0.00 H ATOM 990 N SER R 112 23.053 49.685 18.354 1.00 45.28 N ATOM 991 CA SER R 112 24.500 49.782 18.433 1.00 45.42 C ATOM 992 C SER R 112 25.074 50.141 17.067 1.00 47.23 C ATOM 993 O SER R 112 26.077 50.845 16.978 1.00 48.58 O ATOM 994 CB SER R 112 25.101 48.471 18.930 1.00 49.83 C ATOM 995 OG SER R 112 26.442 48.665 19.341 1.00 53.26 O ATOM 996 HG SER R 112 26.816 47.806 19.660 1.00 0.00 H ATOM 997 H SER R 112 22.604 48.749 18.290 1.00 0.00 H ATOM 998 N GLN R 113 24.433 49.666 16.003 1.00 42.91 N ATOM 999 CA GLN R 113 24.860 50.018 14.660 1.00 46.63 C ATOM 1000 C GLN R 113 24.694 51.519 14.416 1.00 43.23 C ATOM 1001 O GLN R 113 25.528 52.135 13.762 1.00 48.93 O ATOM 1002 CB GLN R 113 24.066 49.237 13.611 1.00 46.22 C ATOM 1003 CG GLN R 113 24.370 47.756 13.578 1.00 47.64 C ATOM 1004 CD GLN R 113 23.749 47.080 12.380 1.00 47.30 C ATOM 1005 OE1 GLN R 113 23.308 47.744 11.443 1.00 55.18 O ATOM 1006 NE2 GLN R 113 23.712 45.758 12.397 1.00 52.25 N ATOM 1007 HE22 GLN R 113 24.097 45.237 13.211 1.00 0.00 H ATOM 1008 HE21 GLN R 113 23.298 45.239 11.596 1.00 0.00 H ATOM 1009 H GLN R 113 23.617 49.035 16.134 1.00 0.00 H ATOM 1010 N ARG R 114 23.615 52.099 14.939 1.00 40.93 N ATOM 1011 CA ARG R 114 23.310 53.512 14.717 1.00 39.35 C ATOM 1012 C ARG R 114 23.851 54.413 15.820 1.00 40.04 C ATOM 1013 O ARG R 114 23.910 55.630 15.653 1.00 38.74 O ATOM 1014 CB ARG R 114 21.798 53.748 14.686 1.00 41.54 C ATOM 1015 CG ARG R 114 20.928 52.664 14.101 1.00 35.82 C ATOM 1016 CD ARG R 114 19.485 52.982 14.461 1.00 33.64 C ATOM 1017 NE ARG R 114 18.514 52.300 13.613 1.00 37.10 N ATOM 1018 CZ ARG R 114 17.206 52.545 13.636 1.00 33.40 C ATOM 1019 NH1 ARG R 114 16.720 53.456 14.466 1.00 34.20 N ATOM 1020 NH2 ARG R 114 16.384 51.886 12.826 1.00 31.39 N ATOM 1021 HE ARG R 114 18.865 51.579 12.951 1.00 0.00 H ATOM 1022 HH12 ARG R 114 15.698 53.649 14.486 1.00 0.00 H ATOM 1023 HH11 ARG R 114 17.360 53.978 15.098 1.00 0.00 H ATOM 1024 HH22 ARG R 114 15.363 52.082 12.849 1.00 0.00 H ATOM 1025 HH21 ARG R 114 16.762 51.174 12.169 1.00 0.00 H ATOM 1026 H ARG R 114 22.970 51.530 15.523 1.00 0.00 H ATOM 1027 N GLY R 115 24.195 53.822 16.962 1.00 44.29 N ATOM 1028 CA GLY R 115 24.427 54.598 18.171 1.00 44.44 C ATOM 1029 C GLY R 115 23.186 55.409 18.500 1.00 37.27 C ATOM 1030 O GLY R 115 23.264 56.607 18.750 1.00 40.03 O ATOM 1031 H GLY R 115 24.300 52.788 16.991 1.00 0.00 H ATOM 1032 N ASP R 116 22.032 54.755 18.461 1.00 37.18 N ATOM 1033 CA ASP R 116 20.758 55.410 18.710 1.00 38.66 C ATOM 1034 C ASP R 116 20.256 55.001 20.087 1.00 40.92 C ATOM 1035 O ASP R 116 19.711 53.909 20.265 1.00 42.80 O ATOM 1036 CB ASP R 116 19.753 55.003 17.630 1.00 41.63 C ATOM 1037 CG ASP R 116 18.374 55.602 17.848 1.00 41.43 C ATOM 1038 OD1 ASP R 116 18.190 56.374 18.814 1.00 40.65 O ATOM 1039 OD2 ASP R 116 17.473 55.310 17.037 1.00 43.80 O ATOM 1040 H ASP R 116 22.039 53.738 18.245 1.00 0.00 H ATOM 1041 N TYR R 117 20.456 55.877 21.064 1.00 43.87 N ATOM 1042 CA TYR R 117 20.128 55.559 22.444 1.00 46.56 C ATOM 1043 C TYR R 117 19.343 56.683 23.085 1.00 45.15 C ATOM 1044 O TYR R 117 19.575 57.005 24.242 1.00 59.23 O ATOM 1045 CB TYR R 117 21.410 55.298 23.239 1.00 38.42 C ATOM 1046 CG TYR R 117 22.151 54.059 22.779 1.00 40.85 C ATOM 1047 CD1 TYR R 117 23.249 54.154 21.936 1.00 39.32 C ATOM 1048 CD2 TYR R 117 21.741 52.796 23.181 1.00 38.28 C ATOM 1049 CE1 TYR R 117 23.926 53.025 21.514 1.00 41.22 C ATOM 1050 CE2 TYR R 117 22.407 51.663 22.763 1.00 43.35 C ATOM 1051 CZ TYR R 117 23.497 51.781 21.925 1.00 41.06 C ATOM 1052 OH TYR R 117 24.154 50.646 21.512 1.00 41.53 O ATOM 1053 HH TYR R 117 23.525 50.063 21.017 1.00 0.00 H ATOM 1054 H TYR R 117 20.856 56.810 20.838 1.00 0.00 H ATOM 1055 N ASN R 118 18.405 57.271 22.348 1.00 41.61 N ATOM 1056 CA ASN R 118 17.706 58.453 22.845 1.00 47.85 C ATOM 1057 C ASN R 118 16.173 58.393 22.908 1.00 52.36 C ATOM 1058 O ASN R 118 15.501 59.376 22.610 1.00 60.03 O ATOM 1059 CB ASN R 118 18.154 59.700 22.065 1.00 64.57 C ATOM 1060 CG ASN R 118 17.893 59.589 20.565 1.00 56.24 C ATOM 1061 OD1 ASN R 118 16.835 60.001 20.073 1.00 54.86 O ATOM 1062 ND2 ASN R 118 18.866 59.043 19.830 1.00 43.12 N ATOM 1063 HD22 ASN R 118 19.739 58.710 20.287 1.00 0.00 H ATOM 1064 HD21 ASN R 118 18.751 58.951 18.801 1.00 0.00 H ATOM 1065 H ASN R 118 18.168 56.886 21.411 1.00 0.00 H ATOM 1066 N GLY R 119 15.615 57.262 23.318 1.00 52.59 N ATOM 1067 CA GLY R 119 14.178 57.181 23.506 1.00 46.30 C ATOM 1068 C GLY R 119 13.706 55.753 23.654 1.00 43.56 C ATOM 1069 O GLY R 119 14.469 54.810 23.423 1.00 38.77 O ATOM 1070 H GLY R 119 16.210 56.430 23.506 1.00 0.00 H ATOM 1071 N LYS R 120 12.441 55.589 24.029 1.00 46.77 N ATOM 1072 CA LYS R 120 11.898 54.252 24.238 1.00 48.78 C ATOM 1073 C LYS R 120 11.298 53.664 22.964 1.00 44.99 C ATOM 1074 O LYS R 120 10.613 52.646 23.013 1.00 49.16 O ATOM 1075 CB LYS R 120 10.837 54.260 25.345 1.00 52.22 C ATOM 1076 CG LYS R 120 9.424 54.547 24.849 1.00 53.43 C ATOM 1077 CD LYS R 120 8.432 54.726 25.994 1.00 58.18 C ATOM 1078 CE LYS R 120 7.234 55.561 25.549 1.00 63.64 C ATOM 1079 NZ LYS R 120 5.977 55.242 26.283 1.00 70.63 N ATOM 1080 HZ1 LYS R 120 5.733 54.243 26.131 1.00 0.00 H ATOM 1081 HZ2 LYS R 120 6.117 55.416 27.299 1.00 0.00 H ATOM 1082 HZ3 LYS R 120 5.208 55.846 25.929 1.00 0.00 H ATOM 1083 H LYS R 120 11.834 56.421 24.174 1.00 0.00 H ATOM 1084 N VAL R 121 11.553 54.290 21.820 1.00 49.61 N ATOM 1085 CA VAL R 121 10.984 53.797 20.566 1.00 44.39 C ATOM 1086 C VAL R 121 12.053 53.407 19.544 1.00 44.49 C ATOM 1087 O VAL R 121 13.006 54.161 19.307 1.00 42.56 O ATOM 1088 CB VAL R 121 10.032 54.837 19.942 1.00 43.83 C ATOM 1089 CG1 VAL R 121 9.476 54.338 18.609 1.00 47.15 C ATOM 1090 CG2 VAL R 121 8.899 55.146 20.904 1.00 53.18 C ATOM 1091 H VAL R 121 12.160 55.134 21.816 1.00 0.00 H ATOM 1092 N LEU R 122 11.892 52.227 18.945 1.00 42.45 N ATOM 1093 CA LEU R 122 12.745 51.825 17.834 1.00 39.07 C ATOM 1094 C LEU R 122 11.929 51.471 16.591 1.00 42.24 C ATOM 1095 O LEU R 122 11.117 50.541 16.602 1.00 41.00 O ATOM 1096 CB LEU R 122 13.651 50.655 18.223 1.00 39.97 C ATOM 1097 CG LEU R 122 14.709 50.306 17.175 1.00 33.59 C ATOM 1098 CD1 LEU R 122 15.773 51.387 17.131 1.00 40.90 C ATOM 1099 CD2 LEU R 122 15.347 48.954 17.434 1.00 31.29 C ATOM 1100 H LEU R 122 11.146 51.583 19.276 1.00 0.00 H ATOM 1101 N SER R 123 12.150 52.227 15.522 1.00 40.38 N ATOM 1102 CA SER R 123 11.576 51.919 14.218 1.00 36.45 C ATOM 1103 C SER R 123 12.600 51.193 13.362 1.00 37.11 C ATOM 1104 O SER R 123 13.742 51.653 13.233 1.00 38.71 O ATOM 1105 CB SER R 123 11.139 53.200 13.516 1.00 39.22 C ATOM 1106 OG SER R 123 10.020 53.767 14.166 1.00 39.54 O ATOM 1107 HG SER R 123 9.752 54.596 13.696 1.00 0.00 H ATOM 1108 H SER R 123 12.754 53.068 15.618 1.00 0.00 H ATOM 1109 N ILE R 124 12.201 50.056 12.793 1.00 35.38 N ATOM 1110 CA ILE R 124 13.089 49.305 11.907 1.00 42.40 C ATOM 1111 C ILE R 124 12.538 49.110 10.495 1.00 36.22 C ATOM 1112 O ILE R 124 11.358 49.346 10.228 1.00 33.71 O ATOM 1113 CB ILE R 124 13.475 47.934 12.495 1.00 40.39 C ATOM 1114 CG1 ILE R 124 12.229 47.073 12.719 1.00 45.25 C ATOM 1115 CG2 ILE R 124 14.250 48.120 13.776 1.00 33.45 C ATOM 1116 CD1 ILE R 124 12.536 45.675 13.256 1.00 39.91 C ATOM 1117 H ILE R 124 11.243 49.697 12.982 1.00 0.00 H ATOM 1118 N ARG R 125 13.408 48.674 9.592 1.00 38.33 N ATOM 1119 CA ARG R 125 13.048 48.542 8.181 1.00 38.90 C ATOM 1120 C ARG R 125 11.986 47.479 7.960 1.00 38.53 C ATOM 1121 O ARG R 125 11.946 46.469 8.662 1.00 41.77 O ATOM 1122 CB ARG R 125 14.287 48.246 7.341 1.00 32.19 C ATOM 1123 CG ARG R 125 15.237 49.421 7.270 1.00 30.45 C ATOM 1124 CD ARG R 125 16.535 49.057 6.560 1.00 38.63 C ATOM 1125 NE ARG R 125 17.528 50.115 6.742 1.00 38.30 N ATOM 1126 CZ ARG R 125 18.719 50.139 6.155 1.00 37.49 C ATOM 1127 NH1 ARG R 125 19.074 49.169 5.333 1.00 34.48 N ATOM 1128 NH2 ARG R 125 19.549 51.147 6.383 1.00 37.78 N ATOM 1129 HE ARG R 125 17.285 50.903 7.375 1.00 0.00 H ATOM 1130 HH12 ARG R 125 20.007 49.191 4.875 1.00 0.00 H ATOM 1131 HH11 ARG R 125 18.420 48.383 5.143 1.00 0.00 H ATOM 1132 HH22 ARG R 125 20.482 51.167 5.924 1.00 0.00 H ATOM 1133 HH21 ARG R 125 19.267 51.918 7.021 1.00 0.00 H ATOM 1134 H ARG R 125 14.370 48.420 9.896 1.00 0.00 H ATOM 1135 N GLN R 126 11.117 47.716 6.985 1.00 38.38 N ATOM 1136 CA GLN R 126 10.016 46.806 6.723 1.00 44.88 C ATOM 1137 C GLN R 126 10.529 45.426 6.323 1.00 46.80 C ATOM 1138 O GLN R 126 9.889 44.413 6.601 1.00 49.05 O ATOM 1139 CB GLN R 126 9.093 47.363 5.640 1.00 36.65 C ATOM 1140 CG GLN R 126 7.873 46.499 5.405 1.00 38.65 C ATOM 1141 CD GLN R 126 7.228 46.057 6.710 1.00 55.76 C ATOM 1142 OE1 GLN R 126 6.790 44.913 6.840 1.00 64.81 O ATOM 1143 NE2 GLN R 126 7.162 46.963 7.681 1.00 50.83 N ATOM 1144 HE22 GLN R 126 7.545 47.918 7.528 1.00 0.00 H ATOM 1145 HE21 GLN R 126 6.728 46.717 8.593 1.00 0.00 H ATOM 1146 H GLN R 126 11.226 48.568 6.399 1.00 0.00 H ATOM 1147 N ASP R 127 11.696 45.397 5.687 1.00 45.19 N ATOM 1148 CA ASP R 127 12.312 44.143 5.263 1.00 44.32 C ATOM 1149 C ASP R 127 12.962 43.389 6.414 1.00 49.47 C ATOM 1150 O ASP R 127 13.287 42.208 6.291 1.00 50.86 O ATOM 1151 CB ASP R 127 13.352 44.430 4.196 1.00 56.08 C ATOM 1152 CG ASP R 127 12.818 45.338 3.119 1.00 68.48 C ATOM 1153 OD1 ASP R 127 11.951 44.877 2.340 1.00 60.06 O ATOM 1154 OD2 ASP R 127 13.239 46.519 3.084 1.00 68.09 O ATOM 1155 H ASP R 127 12.184 46.293 5.486 1.00 0.00 H ATOM 1156 N ASP R 128 13.167 44.077 7.527 1.00 39.09 N ATOM 1157 CA ASP R 128 13.729 43.445 8.703 1.00 42.57 C ATOM 1158 C ASP R 128 12.727 42.455 9.273 1.00 42.21 C ATOM 1159 O ASP R 128 13.103 41.553 10.026 1.00 40.02 O ATOM 1160 CB ASP R 128 14.096 44.489 9.762 1.00 41.12 C ATOM 1161 CG ASP R 128 15.284 45.340 9.356 1.00 38.38 C ATOM 1162 OD1 ASP R 128 16.056 44.913 8.470 1.00 38.28 O ATOM 1163 OD2 ASP R 128 15.451 46.435 9.929 1.00 44.37 O ATOM 1164 H ASP R 128 12.921 45.087 7.557 1.00 0.00 H ATOM 1165 N LEU R 129 11.455 42.615 8.910 1.00 44.45 N ATOM 1166 CA LEU R 129 10.432 41.672 9.353 1.00 41.63 C ATOM 1167 C LEU R 129 10.852 40.269 8.978 1.00 42.60 C ATOM 1168 O LEU R 129 10.685 39.332 9.750 1.00 47.10 O ATOM 1169 CB LEU R 129 9.070 41.958 8.720 1.00 46.30 C ATOM 1170 CG LEU R 129 7.913 41.299 9.487 1.00 47.80 C ATOM 1171 CD1 LEU R 129 6.562 41.641 8.880 1.00 47.12 C ATOM 1172 CD2 LEU R 129 8.081 39.790 9.592 1.00 49.79 C ATOM 1173 H LEU R 129 11.188 43.419 8.306 1.00 0.00 H ATOM 1174 N ARG R 130 11.398 40.124 7.779 1.00 43.24 N ATOM 1175 CA ARG R 130 11.782 38.812 7.310 1.00 37.24 C ATOM 1176 C ARG R 130 13.002 38.315 8.060 1.00 35.23 C ATOM 1177 O ARG R 130 13.073 37.148 8.432 1.00 40.64 O ATOM 1178 CB ARG R 130 12.055 38.814 5.806 1.00 39.79 C ATOM 1179 CG ARG R 130 12.144 37.403 5.270 1.00 49.20 C ATOM 1180 CD ARG R 130 12.677 37.383 3.862 1.00 60.77 C ATOM 1181 NE ARG R 130 13.960 38.061 3.795 1.00 52.81 N ATOM 1182 CZ ARG R 130 14.370 38.736 2.738 1.00 52.39 C ATOM 1183 NH1 ARG R 130 13.591 38.815 1.670 1.00 56.10 N ATOM 1184 NH2 ARG R 130 15.550 39.329 2.752 1.00 56.40 N ATOM 1185 HE ARG R 130 14.588 38.012 4.623 1.00 0.00 H ATOM 1186 HH12 ARG R 130 13.908 39.345 0.833 1.00 0.00 H ATOM 1187 HH11 ARG R 130 12.662 38.347 1.668 1.00 0.00 H ATOM 1188 HH22 ARG R 130 15.874 39.861 1.920 1.00 0.00 H ATOM 1189 HH21 ARG R 130 16.155 39.264 3.595 1.00 0.00 H ATOM 1190 H ARG R 130 11.550 40.956 7.174 1.00 0.00 H ATOM 1191 N THR R 131 13.969 39.200 8.270 1.00 35.11 N ATOM 1192 CA THR R 131 15.152 38.846 9.033 1.00 37.46 C ATOM 1193 C THR R 131 14.695 38.218 10.344 1.00 39.08 C ATOM 1194 O THR R 131 15.261 37.239 10.817 1.00 38.81 O ATOM 1195 CB THR R 131 16.008 40.086 9.356 1.00 37.73 C ATOM 1196 OG1 THR R 131 16.378 40.756 8.146 1.00 48.53 O ATOM 1197 CG2 THR R 131 17.257 39.695 10.111 1.00 37.27 C ATOM 1198 HG1 THR R 131 16.927 41.550 8.365 1.00 0.00 H ATOM 1199 H THR R 131 13.878 40.161 7.882 1.00 0.00 H ATOM 1200 N LEU R 132 13.644 38.787 10.911 1.00 38.65 N ATOM 1201 CA LEU R 132 13.188 38.419 12.248 1.00 44.38 C ATOM 1202 C LEU R 132 12.402 37.128 12.219 1.00 46.44 C ATOM 1203 O LEU R 132 12.504 36.299 13.126 1.00 41.16 O ATOM 1204 CB LEU R 132 12.295 39.516 12.810 1.00 35.91 C ATOM 1205 CG LEU R 132 12.989 40.714 13.446 1.00 49.26 C ATOM 1206 CD1 LEU R 132 11.980 41.825 13.684 1.00 48.33 C ATOM 1207 CD2 LEU R 132 13.660 40.308 14.753 1.00 34.18 C ATOM 1208 H LEU R 132 13.126 39.521 10.387 1.00 0.00 H ATOM 1209 N ALA R 133 11.607 36.967 11.168 1.00 42.17 N ATOM 1210 CA ALA R 133 10.783 35.784 11.014 1.00 41.09 C ATOM 1211 C ALA R 133 11.703 34.587 10.806 1.00 44.39 C ATOM 1212 O ALA R 133 11.355 33.451 11.121 1.00 47.51 O ATOM 1213 CB ALA R 133 9.847 35.961 9.852 1.00 42.84 C ATOM 1214 H ALA R 133 11.575 37.707 10.438 1.00 0.00 H ATOM 1215 N VAL R 134 12.897 34.860 10.293 1.00 43.38 N ATOM 1216 CA VAL R 134 13.894 33.822 10.078 1.00 37.30 C ATOM 1217 C VAL R 134 14.541 33.438 11.402 1.00 43.41 C ATOM 1218 O VAL R 134 14.664 32.251 11.710 1.00 44.39 O ATOM 1219 CB VAL R 134 14.981 34.277 9.065 1.00 40.08 C ATOM 1220 CG1 VAL R 134 16.287 33.522 9.293 1.00 37.04 C ATOM 1221 CG2 VAL R 134 14.493 34.088 7.637 1.00 32.47 C ATOM 1222 H VAL R 134 13.126 35.842 10.038 1.00 0.00 H ATOM 1223 N ILE R 135 14.947 34.436 12.185 1.00 39.89 N ATOM 1224 CA ILE R 135 15.624 34.174 13.450 1.00 45.43 C ATOM 1225 C ILE R 135 14.691 33.488 14.466 1.00 42.31 C ATOM 1226 O ILE R 135 15.129 32.659 15.261 1.00 42.27 O ATOM 1227 CB ILE R 135 16.239 35.467 14.065 1.00 44.57 C ATOM 1228 CG1 ILE R 135 15.182 36.273 14.808 1.00 51.77 C ATOM 1229 CG2 ILE R 135 16.898 36.327 13.003 1.00 40.06 C ATOM 1230 CD1 ILE R 135 14.758 35.645 16.093 1.00 45.25 C ATOM 1231 H ILE R 135 14.778 35.419 11.889 1.00 0.00 H ATOM 1232 N TYR R 136 13.408 33.848 14.422 1.00 46.22 N ATOM 1233 CA TYR R 136 12.371 33.239 15.261 1.00 45.91 C ATOM 1234 C TYR R 136 11.841 31.947 14.635 1.00 48.28 C ATOM 1235 O TYR R 136 11.132 31.180 15.285 1.00 46.94 O ATOM 1236 CB TYR R 136 11.190 34.206 15.439 1.00 46.24 C ATOM 1237 CG TYR R 136 11.309 35.184 16.601 1.00 48.12 C ATOM 1238 CD1 TYR R 136 11.715 36.493 16.394 1.00 43.49 C ATOM 1239 CD2 TYR R 136 11.003 34.793 17.903 1.00 45.55 C ATOM 1240 CE1 TYR R 136 11.819 37.386 17.443 1.00 40.85 C ATOM 1241 CE2 TYR R 136 11.100 35.680 18.962 1.00 42.64 C ATOM 1242 CZ TYR R 136 11.509 36.975 18.729 1.00 49.07 C ATOM 1243 OH TYR R 136 11.607 37.862 19.784 1.00 37.08 O ATOM 1244 HH TYR R 136 10.721 37.961 20.214 1.00 0.00 H ATOM 1245 H TYR R 136 13.129 34.599 13.759 1.00 0.00 H ATOM 1246 N ASP R 137 12.158 31.735 13.358 1.00 51.47 N ATOM 1247 CA ASP R 137 11.677 30.574 12.620 1.00 47.42 C ATOM 1248 C ASP R 137 10.155 30.494 12.663 1.00 48.49 C ATOM 1249 O ASP R 137 9.582 29.440 12.944 1.00 56.44 O ATOM 1250 CB ASP R 137 12.290 29.298 13.197 1.00 55.65 C ATOM 1251 CG ASP R 137 12.075 28.086 12.304 1.00 64.78 C ATOM 1252 OD1 ASP R 137 11.413 28.229 11.252 1.00 59.78 O ATOM 1253 OD2 ASP R 137 12.560 26.989 12.667 1.00 58.85 O ATOM 1254 H ASP R 137 12.769 32.421 12.872 1.00 0.00 H ATOM 1255 N GLN R 138 9.509 31.621 12.390 1.00 44.82 N ATOM 1256 CA GLN R 138 8.058 31.693 12.284 1.00 45.24 C ATOM 1257 C GLN R 138 7.733 32.492 11.038 1.00 47.55 C ATOM 1258 O GLN R 138 8.585 33.224 10.535 1.00 47.27 O ATOM 1259 CB GLN R 138 7.472 32.411 13.500 1.00 54.01 C ATOM 1260 CG GLN R 138 7.846 31.793 14.845 1.00 58.42 C ATOM 1261 CD GLN R 138 7.518 32.714 16.004 1.00 59.84 C ATOM 1262 OE1 GLN R 138 7.239 33.897 15.804 1.00 63.82 O ATOM 1263 NE2 GLN R 138 7.551 32.180 17.223 1.00 63.65 N ATOM 1264 HE22 GLN R 138 7.792 31.176 17.344 1.00 0.00 H ATOM 1265 HE21 GLN R 138 7.336 32.767 18.054 1.00 0.00 H ATOM 1266 H GLN R 138 10.062 32.490 12.246 1.00 0.00 H ATOM 1267 N SER R 139 6.505 32.375 10.544 1.00 48.67 N ATOM 1268 CA SER R 139 6.100 33.151 9.380 1.00 52.34 C ATOM 1269 C SER R 139 5.972 34.618 9.775 1.00 56.28 C ATOM 1270 O SER R 139 5.700 34.930 10.940 1.00 56.27 O ATOM 1271 CB SER R 139 4.774 32.639 8.822 1.00 60.33 C ATOM 1272 OG SER R 139 3.748 32.741 9.791 1.00 57.18 O ATOM 1273 HG SER R 139 3.639 33.689 10.056 1.00 0.00 H ATOM 1274 H SER R 139 5.828 31.725 10.992 1.00 0.00 H ATOM 1275 N PRO R 140 6.192 35.527 8.812 1.00 46.47 N ATOM 1276 CA PRO R 140 6.044 36.949 9.120 1.00 54.45 C ATOM 1277 C PRO R 140 4.687 37.211 9.755 1.00 59.54 C ATOM 1278 O PRO R 140 4.632 37.797 10.830 1.00 57.45 O ATOM 1279 CB PRO R 140 6.135 37.606 7.747 1.00 55.50 C ATOM 1280 CG PRO R 140 7.038 36.704 6.982 1.00 57.25 C ATOM 1281 CD PRO R 140 6.717 35.309 7.455 1.00 54.66 C ATOM 1282 N SER R 141 3.626 36.761 9.090 1.00 60.44 N ATOM 1283 CA SER R 141 2.261 36.833 9.606 1.00 57.81 C ATOM 1284 C SER R 141 2.172 36.535 11.098 1.00 53.99 C ATOM 1285 O SER R 141 1.673 37.352 11.873 1.00 57.00 O ATOM 1286 CB SER R 141 1.387 35.825 8.866 1.00 57.22 C ATOM 1287 OG SER R 141 0.015 36.048 9.129 1.00 53.22 O ATOM 1288 HG SER R 141 -0.527 35.381 8.637 1.00 0.00 H ATOM 1289 H SER R 141 3.776 36.335 8.153 1.00 0.00 H ATOM 1290 N VAL R 142 2.624 35.346 11.488 1.00 58.10 N ATOM 1291 CA VAL R 142 2.582 34.928 12.886 1.00 50.92 C ATOM 1292 C VAL R 142 3.320 35.942 13.746 1.00 56.84 C ATOM 1293 O VAL R 142 2.762 36.502 14.693 1.00 50.55 O ATOM 1294 CB VAL R 142 3.253 33.556 13.095 1.00 50.35 C ATOM 1295 CG1 VAL R 142 3.419 33.247 14.587 1.00 56.54 C ATOM 1296 CG2 VAL R 142 2.455 32.460 12.426 1.00 62.65 C ATOM 1297 H VAL R 142 3.018 34.697 10.778 1.00 0.00 H ATOM 1298 N LEU R 143 4.582 36.169 13.403 1.00 53.80 N ATOM 1299 CA LEU R 143 5.434 37.047 14.177 1.00 50.44 C ATOM 1300 C LEU R 143 4.771 38.396 14.377 1.00 51.80 C ATOM 1301 O LEU R 143 4.796 38.954 15.473 1.00 60.48 O ATOM 1302 CB LEU R 143 6.783 37.221 13.484 1.00 48.72 C ATOM 1303 CG LEU R 143 7.849 37.878 14.354 1.00 54.86 C ATOM 1304 CD1 LEU R 143 8.026 37.088 15.643 1.00 56.57 C ATOM 1305 CD2 LEU R 143 9.161 37.988 13.598 1.00 51.07 C ATOM 1306 H LEU R 143 4.969 35.704 12.557 1.00 0.00 H ATOM 1307 N THR R 144 4.156 38.907 13.319 1.00 56.99 N ATOM 1308 CA THR R 144 3.632 40.266 13.344 1.00 56.73 C ATOM 1309 C THR R 144 2.399 40.354 14.226 1.00 53.66 C ATOM 1310 O THR R 144 2.122 41.399 14.815 1.00 54.87 O ATOM 1311 CB THR R 144 3.318 40.820 11.928 1.00 54.62 C ATOM 1312 OG1 THR R 144 2.447 41.950 12.043 1.00 55.12 O ATOM 1313 CG2 THR R 144 2.642 39.786 11.039 1.00 62.07 C ATOM 1314 HG1 THR R 144 1.605 41.673 12.485 1.00 0.00 H ATOM 1315 H THR R 144 4.046 38.330 12.461 1.00 0.00 H ATOM 1316 N GLU R 145 1.674 39.248 14.346 1.00 58.05 N ATOM 1317 CA GLU R 145 0.432 39.263 15.104 1.00 61.46 C ATOM 1318 C GLU R 145 0.658 39.078 16.596 1.00 58.60 C ATOM 1319 O GLU R 145 -0.123 39.571 17.405 1.00 62.68 O ATOM 1320 CB GLU R 145 -0.552 38.220 14.574 1.00 63.68 C ATOM 1321 CG GLU R 145 -0.443 36.842 15.197 1.00 60.02 C ATOM 1322 CD GLU R 145 -1.783 36.122 15.186 1.00 69.34 C ATOM 1323 OE1 GLU R 145 -2.727 36.639 14.542 1.00 71.86 O ATOM 1324 OE2 GLU R 145 -1.899 35.053 15.821 1.00 58.79 O ATOM 1325 H GLU R 145 1.995 38.367 13.896 1.00 0.00 H ATOM 1326 N GLN R 146 1.709 38.370 16.981 1.00 51.27 N ATOM 1327 CA GLN R 146 2.015 38.307 18.401 1.00 61.21 C ATOM 1328 C GLN R 146 2.807 39.540 18.849 1.00 57.51 C ATOM 1329 O GLN R 146 2.830 39.872 20.029 1.00 55.05 O ATOM 1330 CB GLN R 146 2.734 37.021 18.769 1.00 58.42 C ATOM 1331 CG GLN R 146 3.948 36.714 17.967 1.00 56.27 C ATOM 1332 CD GLN R 146 4.612 35.472 18.503 1.00 64.83 C ATOM 1333 OE1 GLN R 146 4.276 35.011 19.595 1.00 70.86 O ATOM 1334 NE2 GLN R 146 5.552 34.920 17.751 1.00 60.21 N ATOM 1335 HE22 GLN R 146 5.802 35.345 16.835 1.00 0.00 H ATOM 1336 HE21 GLN R 146 6.040 34.061 18.076 1.00 0.00 H ATOM 1337 H GLN R 146 2.300 37.872 16.285 1.00 0.00 H ATOM 1338 N LEU R 147 3.439 40.222 17.901 1.00 52.77 N ATOM 1339 CA LEU R 147 4.102 41.478 18.206 1.00 54.08 C ATOM 1340 C LEU R 147 3.076 42.541 18.554 1.00 56.46 C ATOM 1341 O LEU R 147 3.390 43.511 19.245 1.00 56.01 O ATOM 1342 CB LEU R 147 4.948 41.957 17.026 1.00 55.71 C ATOM 1343 CG LEU R 147 6.439 41.637 17.072 1.00 52.28 C ATOM 1344 CD1 LEU R 147 7.118 42.239 15.859 1.00 66.49 C ATOM 1345 CD2 LEU R 147 7.057 42.180 18.344 1.00 53.35 C ATOM 1346 H LEU R 147 3.460 39.853 16.929 1.00 0.00 H ATOM 1347 N ILE R 148 1.854 42.367 18.063 1.00 54.49 N ATOM 1348 CA ILE R 148 0.812 43.344 18.331 1.00 56.46 C ATOM 1349 C ILE R 148 0.061 43.014 19.603 1.00 52.98 C ATOM 1350 O ILE R 148 -0.352 43.911 20.330 1.00 64.39 O ATOM 1351 CB ILE R 148 -0.170 43.481 17.162 1.00 57.11 C ATOM 1352 CG1 ILE R 148 -0.815 42.131 16.839 1.00 63.20 C ATOM 1353 CG2 ILE R 148 0.550 44.049 15.952 1.00 58.86 C ATOM 1354 CD1 ILE R 148 -1.869 41.672 17.842 1.00 62.69 C ATOM 1355 H ILE R 148 1.642 41.529 17.485 1.00 0.00 H ATOM 1356 N SER R 149 -0.112 41.727 19.880 1.00 59.57 N ATOM 1357 CA SER R 149 -0.742 41.325 21.124 1.00 60.62 C ATOM 1358 C SER R 149 0.154 41.768 22.280 1.00 61.02 C ATOM 1359 O SER R 149 -0.318 42.376 23.238 1.00 63.99 O ATOM 1360 CB SER R 149 -0.997 39.817 21.154 1.00 59.17 C ATOM 1361 OG SER R 149 0.141 39.098 20.723 1.00 59.04 O ATOM 1362 HG SER R 149 0.366 39.363 19.796 1.00 0.00 H ATOM 1363 H SER R 149 0.205 41.004 19.203 1.00 0.00 H ATOM 1364 N TRP R 150 1.452 41.493 22.162 1.00 58.70 N ATOM 1365 CA TRP R 150 2.437 41.918 23.157 1.00 53.59 C ATOM 1366 C TRP R 150 2.412 43.414 23.431 1.00 53.26 C ATOM 1367 O TRP R 150 2.964 43.867 24.428 1.00 58.66 O ATOM 1368 CB TRP R 150 3.852 41.541 22.722 1.00 47.75 C ATOM 1369 CG TRP R 150 4.090 40.085 22.695 1.00 48.44 C ATOM 1370 CD1 TRP R 150 3.268 39.117 23.180 1.00 53.47 C ATOM 1371 CD2 TRP R 150 5.224 39.411 22.144 1.00 54.91 C ATOM 1372 NE1 TRP R 150 3.819 37.877 22.970 1.00 55.45 N ATOM 1373 CE2 TRP R 150 5.028 38.031 22.331 1.00 57.28 C ATOM 1374 CE3 TRP R 150 6.395 39.841 21.504 1.00 58.19 C ATOM 1375 CZ2 TRP R 150 5.948 37.072 21.908 1.00 60.99 C ATOM 1376 CZ3 TRP R 150 7.312 38.890 21.082 1.00 46.19 C ATOM 1377 CH2 TRP R 150 7.085 37.524 21.286 1.00 51.35 C ATOM 1378 HE1 TRP R 150 3.393 36.970 23.248 1.00 0.00 H ATOM 1379 H TRP R 150 1.777 40.957 21.332 1.00 0.00 H ATOM 1380 N GLY R 151 1.785 44.183 22.549 1.00 50.70 N ATOM 1381 CA GLY R 151 1.750 45.626 22.699 1.00 48.47 C ATOM 1382 C GLY R 151 3.028 46.309 22.236 1.00 51.00 C ATOM 1383 O GLY R 151 3.119 47.536 22.246 1.00 52.03 O ATOM 1384 H GLY R 151 1.310 43.743 21.735 1.00 0.00 H ATOM 1385 N VAL R 152 4.024 45.521 21.848 1.00 43.54 N ATOM 1386 CA VAL R 152 5.265 46.061 21.302 1.00 43.09 C ATOM 1387 C VAL R 152 4.991 46.867 20.021 1.00 47.63 C ATOM 1388 O VAL R 152 5.614 47.905 19.780 1.00 39.81 O ATOM 1389 CB VAL R 152 6.254 44.928 20.955 1.00 48.39 C ATOM 1390 CG1 VAL R 152 7.427 45.474 20.129 1.00 44.55 C ATOM 1391 CG2 VAL R 152 6.732 44.219 22.215 1.00 46.09 C ATOM 1392 H VAL R 152 3.917 44.490 21.936 1.00 0.00 H ATOM 1393 N LEU R 153 4.063 46.362 19.208 1.00 47.77 N ATOM 1394 CA LEU R 153 3.656 47.002 17.956 1.00 52.34 C ATOM 1395 C LEU R 153 2.219 47.532 18.028 1.00 54.62 C ATOM 1396 O LEU R 153 1.399 47.063 18.824 1.00 55.64 O ATOM 1397 CB LEU R 153 3.783 46.014 16.795 1.00 55.73 C ATOM 1398 CG LEU R 153 3.978 46.587 15.391 1.00 55.80 C ATOM 1399 CD1 LEU R 153 5.259 47.405 15.324 1.00 52.90 C ATOM 1400 CD2 LEU R 153 4.008 45.471 14.362 1.00 60.74 C ATOM 1401 H LEU R 153 3.605 45.468 19.477 1.00 0.00 H ATOM 1402 N ASP R 154 1.920 48.506 17.180 1.00 59.24 N ATOM 1403 CA ASP R 154 0.630 49.189 17.202 1.00 65.68 C ATOM 1404 C ASP R 154 -0.315 48.633 16.134 1.00 68.04 C ATOM 1405 O ASP R 154 -1.503 48.412 16.396 1.00 67.43 O ATOM 1406 CB ASP R 154 0.832 50.690 16.977 1.00 64.56 C ATOM 1407 CG ASP R 154 2.303 51.085 16.934 1.00 66.84 C ATOM 1408 OD1 ASP R 154 3.113 50.517 17.704 1.00 66.34 O ATOM 1409 OD2 ASP R 154 2.652 51.975 16.133 1.00 65.62 O ATOM 1410 H ASP R 154 2.629 48.793 16.475 1.00 0.00 H TER 1411 ASP R 154 HETATM 1412 O HOH 1 15.670 64.682 15.519 1.00 58.21 O HETATM 1413 O HOH 2 17.396 63.631 15.800 1.00 42.66 O HETATM 1414 O HOH 3 18.026 47.786 23.171 1.00 41.30 O HETATM 1415 O HOH 4 22.773 48.719 21.942 1.00 42.83 O HETATM 1416 O HOH 5 17.314 53.812 23.976 1.00 46.94 O HETATM 1417 O HOH 6 3.368 50.691 12.993 1.00 46.94 O HETATM 1418 O HOH 7 13.671 60.669 20.714 1.00 48.94 O HETATM 1419 O HOH 8 13.824 65.554 14.888 1.00 51.55 O HETATM 1420 O HOH 9 9.748 55.802 8.011 1.00 55.05 O HETATM 1421 O HOH 10 22.511 58.213 21.037 1.00 41.79 O HETATM 1422 O HOH 11 12.868 43.064 29.471 1.00 46.74 O HETATM 1423 O HOH 12 25.084 57.022 13.593 1.00 25.80 O HETATM 1424 O HOH 13 8.793 59.180 9.565 1.00 29.86 O HETATM 1425 O HOH 14 12.070 65.512 -5.510 1.00 43.69 O HETATM 1426 O HOH 15 16.628 69.438 -1.828 1.00 43.33 O HETATM 1427 O HOH 16 16.729 71.299 -7.415 1.00 46.29 O HETATM 1428 O HOH 17 23.372 67.109 -13.667 1.00 45.03 O HETATM 1429 O HOH 18 7.770 63.345 10.603 1.00 40.39 O HETATM 1430 O HOH 19 10.789 67.252 -0.021 1.00 45.96 O HETATM 1431 O HOH 20 12.790 69.071 0.009 1.00 48.41 O HETATM 1432 O HOH 21 21.348 70.698 -13.450 1.00 55.24 O HETATM 1433 O HOH 22 18.618 75.435 -3.869 1.00 60.06 O HETATM 1434 P1 C A 2 12.057 51.486 5.955 1.00 0.26 P HETATM 1435 O2P C A 2 11.079 50.370 5.932 1.00 -0.62 O HETATM 1436 O1P C A 2 13.272 51.160 5.163 1.00 -0.62 O HETATM 1437 O5' C A 2 12.571 51.899 7.392 1.00 -0.25 O HETATM 1438 C5' C A 2 11.562 52.178 8.298 1.00 0.11 C HETATM 1439 C4' C A 2 12.251 53.048 9.307 1.00 0.12 C HETATM 1440 O4' C A 2 13.203 52.426 10.074 1.00 -0.34 O HETATM 1441 C1' C A 2 14.112 53.444 10.413 1.00 0.20 C HETATM 1442 C2' C A 2 13.500 54.714 10.113 1.00 0.14 C HETATM 1443 C3' C A 2 12.627 54.438 9.014 1.00 0.15 C HETATM 1444 O3' C A 2 11.550 55.326 8.966 1.00 -0.25 O HETATM 1445 P11 C A 2 11.649 56.612 8.091 1.00 0.26 P HETATM 1446 O21 C A 2 10.406 57.468 8.292 1.00 -0.62 O HETATM 1447 O11 C A 2 12.919 57.287 8.501 1.00 -0.62 O HETATM 1448 O5A C A 2 11.805 56.194 6.571 1.00 -0.25 O HETATM 1449 C5A C A 2 10.633 55.727 5.957 1.00 0.11 C HETATM 1450 C4A C A 2 11.166 54.986 4.776 1.00 0.12 C HETATM 1451 O4A C A 2 11.545 55.870 3.705 1.00 -0.34 O HETATM 1452 C1A C A 2 12.614 55.211 3.118 1.00 0.20 C HETATM 1453 C2A C A 2 12.574 53.750 3.526 1.00 0.14 C HETATM 1454 C3A C A 2 12.006 53.776 4.903 1.00 0.15 C HETATM 1455 O3A C A 2 11.246 52.635 5.279 1.00 -0.25 O HETATM 1456 H15 C A 2 12.803 53.916 5.648 1.00 0.07 H HETATM 1457 O2A C A 2 11.777 53.051 2.665 1.00 -0.38 O HETATM 1458 H17 C A 2 11.691 52.156 2.971 1.00 0.21 H HETATM 1459 H16 C A 2 13.583 53.313 3.530 1.00 0.07 H HETATM 1460 N91 C A 2 13.843 55.892 3.464 1.00 -0.21 N HETATM 1461 C81 C A 2 14.133 56.693 4.454 1.00 0.10 C HETATM 1462 N71 C A 2 15.309 57.068 4.373 1.00 -0.32 N HETATM 1463 C51 C A 2 16.007 56.524 3.389 1.00 0.09 C HETATM 1464 C61 C A 2 17.299 56.540 2.832 1.00 0.21 C HETATM 1465 O61 C A 2 18.290 57.235 3.329 1.00 -0.41 O HETATM 1466 N11 C A 2 17.540 55.836 1.728 1.00 -0.18 N HETATM 1467 C21 C A 2 16.596 55.045 1.148 1.00 0.23 C HETATM 1468 N21 C A 2 16.925 54.278 -0.027 1.00 -0.28 N HETATM 1469 H21 C A 2 16.212 53.679 -0.467 1.00 0.19 H HETATM 1470 H22 C A 2 17.873 54.329 -0.426 1.00 0.19 H HETATM 1471 N31 C A 2 15.332 54.967 1.613 1.00 -0.28 N HETATM 1472 C41 C A 2 15.047 55.703 2.729 1.00 0.12 C HETATM 1473 H20 C A 2 18.447 55.890 1.310 1.00 0.25 H HETATM 1474 H19 C A 2 13.438 56.989 5.239 1.00 0.12 H HETATM 1475 H18 C A 2 12.502 55.258 2.025 1.00 0.10 H HETATM 1476 H14 C A 2 10.240 54.537 4.387 1.00 0.07 H HETATM 1477 H12 C A 2 9.987 56.561 5.646 1.00 0.06 H HETATM 1478 H13 C A 2 10.072 55.059 6.626 1.00 0.06 H HETATM 1479 H4 C A 2 13.167 54.498 8.057 1.00 0.07 H HETATM 1480 O2' C A 2 12.814 55.120 11.335 1.00 -0.38 O HETATM 1481 H6 C A 2 12.315 55.911 11.169 1.00 0.21 H HETATM 1482 H5 C A 2 14.243 55.473 9.828 1.00 0.07 H HETATM 1483 N9 C A 2 15.376 53.100 9.685 1.00 -0.21 N HETATM 1484 C8 C A 2 15.584 52.306 8.622 1.00 0.10 C HETATM 1485 N7 C A 2 16.789 52.259 8.328 1.00 -0.32 N HETATM 1486 C5 C A 2 17.534 53.036 9.105 1.00 0.09 C HETATM 1487 C6 C A 2 18.859 53.369 9.262 1.00 0.21 C HETATM 1488 O6 C A 2 19.835 52.882 8.455 1.00 -0.41 O HETATM 1489 N1 C A 2 19.237 54.211 10.253 1.00 -0.18 N HETATM 1490 C2 C A 2 18.303 54.775 11.094 1.00 0.23 C HETATM 1491 N2 C A 2 18.762 55.695 12.135 1.00 -0.28 N HETATM 1492 H10 C A 2 18.082 56.129 12.775 1.00 0.19 H HETATM 1493 H11 C A 2 19.765 55.909 12.227 1.00 0.19 H HETATM 1494 N3 C A 2 16.986 54.465 11.030 1.00 -0.28 N HETATM 1495 C4 C A 2 16.600 53.614 10.063 1.00 0.12 C HETATM 1496 H9 C A 2 20.206 54.426 10.376 1.00 0.25 H HETATM 1497 H8 C A 2 14.799 51.773 8.088 1.00 0.12 H HETATM 1498 H7 C A 2 14.320 53.421 11.493 1.00 0.10 H HETATM 1499 H3 C A 2 11.432 53.199 10.026 1.00 0.07 H HETATM 1500 H1 C A 2 11.182 51.257 8.763 1.00 0.06 H HETATM 1501 H2 C A 2 10.732 52.714 7.814 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 717 718 723 724 725 CONECT 724 717 CONECT 725 717 CONECT 1434 1435 1436 1437 1455 CONECT 1435 1434 CONECT 1436 1434 CONECT 1437 1434 1438 CONECT 1438 1437 1439 1500 1501 CONECT 1439 1438 1440 1443 1499 CONECT 1440 1439 1441 CONECT 1441 1440 1442 1483 1498 CONECT 1442 1441 1443 1480 1482 CONECT 1443 1439 1442 1444 1479 CONECT 1444 1443 1445 CONECT 1445 1444 1446 1447 1448 CONECT 1446 1445 CONECT 1447 1445 CONECT 1448 1445 1449 CONECT 1449 1448 1450 1477 1478 CONECT 1450 1449 1451 1454 1476 CONECT 1451 1450 1452 CONECT 1452 1451 1453 1460 1475 CONECT 1453 1452 1454 1457 1459 CONECT 1454 1450 1453 1455 1456 CONECT 1455 1434 1454 CONECT 1456 1454 CONECT 1457 1453 1458 CONECT 1458 1457 CONECT 1459 1453 CONECT 1460 1452 1461 1472 CONECT 1461 1460 1462 1474 CONECT 1462 1461 1463 CONECT 1463 1462 1464 1472 CONECT 1464 1463 1465 1466 CONECT 1465 1464 CONECT 1466 1464 1467 1473 CONECT 1467 1466 1468 1471 CONECT 1468 1467 1469 1470 CONECT 1469 1468 CONECT 1470 1468 CONECT 1471 1467 1472 CONECT 1472 1460 1463 1471 CONECT 1473 1466 CONECT 1474 1461 CONECT 1475 1452 CONECT 1476 1450 CONECT 1477 1449 CONECT 1478 1449 CONECT 1479 1443 CONECT 1480 1442 1481 CONECT 1481 1480 CONECT 1482 1442 CONECT 1483 1441 1484 1495 CONECT 1484 1483 1485 1497 CONECT 1485 1484 1486 CONECT 1486 1485 1487 1495 CONECT 1487 1486 1488 1489 CONECT 1488 1487 CONECT 1489 1487 1490 1496 CONECT 1490 1489 1491 1494 CONECT 1491 1490 1492 1493 CONECT 1492 1491 CONECT 1493 1491 CONECT 1494 1490 1495 CONECT 1495 1483 1486 1494 CONECT 1496 1489 CONECT 1497 1484 CONECT 1498 1441 CONECT 1499 1439 CONECT 1500 1438 CONECT 1501 1438 MASTER 0 0 0 0 0 0 0 0 1499 2 74 12 END
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Structure:
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Related entries of code: 4oaz
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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91aa, >5KHD_1|Chains... at 93%
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Complexes with the same small molecule ligand
PDB Code
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1w25
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C2E
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4emt
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4etz
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PDBbind
C2E
4eu0
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PDBbind
C2E
4euv
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PDBbind
C2E
4f3h
RCSB PDB
PDBbind
C2E
4f5y
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PDBbind
C2E
4f9g
RCSB PDB
PDBbind
C2E
4kby
RCSB PDB
PDBbind
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4lj3
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PDBbind
C2E
4p00
RCSB PDB
PDBbind
C2E
4p02
RCSB PDB
PDBbind
C2E
4rt0
RCSB PDB
PDBbind
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4rt1
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PDBbind
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5ejl
RCSB PDB
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RCSB PDB
PDBbind
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5htl
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5khd
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PDBbind
C2E
5tzd
RCSB PDB
PDBbind
C2E
5tzf
RCSB PDB
PDBbind
C2E
5tzg
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PDBbind
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6pfj
RCSB PDB
PDBbind
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PDBbind
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5y6g
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Entry Information
PDB ID
4oaz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
transcription factor, BldD CTD
Ligand Name
C2E
EC.Number
E.C.-.-.-.-
Resolution
2.25(Å)
Affinity (Kd/Ki/IC50)
Kd~1.7uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Cell(Cambridge,Mass.) Vol. 158: pp. 1136-1147
Ligand Properties
Formula
C
2
0
H
2
6
N
1
0
O
1
4
P
2
Molecular Weight
692.427
Exact Mass
692.111
No. of atoms
72
No. of bonds
78
Polar Surface Area
383.12
LOGP Value
-6.93 (
Computed with XLOGP3
)
-2.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 7
Canonical SMILES
O[C@@H]1[C@@H]2OP(O)(O)OC[C@H]3O[C@H]([C@@H]([C@@H]3OP(OC[C@H]2O[C@H]1n1cnc2c1nc(N)[nH]c2=O)(O)O)O)n1cnc2c1nc(N)[nH]c2=O
InChI String
InChI=1S/C20H28N10O14P2/c21-19-25-13-7(15(33)27-19)23-3-29(13)17-9(31)11-5(41-17)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(10(12)32)30-4-24-8-14(30)26-20(22)28-16(8)34/h3-6,9-12,17-18,31-32,35-38,45-46H,1-2H2,(H3,21,25,27,33)(H3,22,26,28,34)/t5-,6-,9-,10-,11-,12-,17-,18-/m1/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):
Q7AKQ8
Entrez Gene ID
NCBI Entrez Gene ID:
1096915
ASD
Information of known allosteric effects of PDB entries
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