Browse entries in the PDBbind-CN Database
HEADER 4ZZ3_COMPLEX COMPND 4ZZ3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 200 ALA ARG VAL ALA VAL LEU ILE SER GLY THR GLY SER ASN SEQRES 2 A 200 LEU GLN ALA LEU ILE ASP SER THR ARG GLU PRO ASN SER SEQRES 3 A 200 SER ALA GLN ILE ASP ILE VAL ILE SER ASN LYS ALA ALA SEQRES 4 A 200 VAL ALA GLY LEU ASP LYS ALA GLU ARG ALA GLY ILE PRO SEQRES 5 A 200 THR ARG VAL ILE ASN HIS LYS LEU TYR LYS ASN ARG VAL SEQRES 6 A 200 GLU PHE ASP SER ALA ILE ASP LEU VAL LEU GLU GLU PHE SEQRES 7 A 200 SER ILE ASP ILE VAL CYS LEU ALA GLY PHE MET ARG ILE SEQRES 8 A 200 LEU SER GLY PRO PHE VAL GLN LYS TRP ASN GLY LYS MET SEQRES 9 A 200 LEU ASN ILE HIS PRO SER LEU LEU PRO SER PHE LYS GLY SEQRES 10 A 200 SER ASN ALA HIS GLU GLN ALA LEU GLU THR GLY VAL THR SEQRES 11 A 200 VAL THR GLY CYS THR VAL HIS PHE VAL ALA GLU ASP VAL SEQRES 12 A 200 ASP ALA GLY GLN ILE ILE LEU GLN GLU ALA VAL PRO VAL SEQRES 13 A 200 LYS ARG GLY ASP THR VAL ALA THR LEU SER GLU ARG VAL SEQRES 14 A 200 LYS LEU ALA GLU HIS LYS ILE PHE PRO ALA ALA LEU GLN SEQRES 15 A 200 LEU VAL ALA SER GLY THR VAL GLN LEU GLY GLU ASN GLY SEQRES 16 A 200 LYS ILE CYS TRP VAL HET UNN A 228 51 ATOM 1 N ALA A 808 77.732 41.727 37.002 1.00 28.99 N ATOM 2 CA ALA A 808 76.336 41.708 36.582 1.00 26.33 C ATOM 3 C ALA A 808 76.104 40.653 35.507 1.00 33.94 C ATOM 4 O ALA A 808 76.878 40.543 34.557 1.00 24.90 O ATOM 5 CB ALA A 808 75.915 43.077 36.077 1.00 26.23 C ATOM 6 HN3 ALA A 808 78.336 41.945 36.184 1.00 0.00 H ATOM 7 HN2 ALA A 808 77.990 40.796 37.386 1.00 0.00 H ATOM 8 HN1 ALA A 808 77.863 42.454 37.734 1.00 0.00 H ATOM 9 N ARG A 809 75.033 39.882 35.664 1.00 32.90 N ATOM 10 CA ARG A 809 74.694 38.836 34.706 1.00 29.84 C ATOM 11 C ARG A 809 73.796 39.387 33.599 1.00 34.88 C ATOM 12 O ARG A 809 72.736 39.951 33.870 1.00 36.19 O ATOM 13 CB ARG A 809 74.020 37.665 35.420 1.00 34.79 C ATOM 14 CG ARG A 809 74.844 37.113 36.577 1.00 38.74 C ATOM 15 CD ARG A 809 74.142 35.969 37.286 1.00 28.79 C ATOM 16 NE ARG A 809 73.778 34.890 36.373 1.00 37.04 N ATOM 17 CZ ARG A 809 74.621 33.954 35.950 1.00 37.33 C ATOM 18 NH1 ARG A 809 75.883 33.965 36.355 1.00 32.96 N ATOM 19 NH2 ARG A 809 74.204 33.008 35.119 1.00 41.48 N ATOM 20 HE ARG A 809 72.796 34.851 36.032 1.00 0.00 H ATOM 21 HH12 ARG A 809 76.542 33.232 36.023 1.00 0.00 H ATOM 22 HH11 ARG A 809 76.214 34.707 37.004 1.00 0.00 H ATOM 23 HH22 ARG A 809 74.866 32.277 34.789 1.00 0.00 H ATOM 24 HH21 ARG A 809 73.215 32.998 34.797 1.00 0.00 H ATOM 25 H ARG A 809 74.421 40.028 36.492 1.00 0.00 H ATOM 26 N VAL A 810 74.226 39.216 32.352 1.00 30.29 N ATOM 27 CA VAL A 810 73.578 39.877 31.224 1.00 31.62 C ATOM 28 C VAL A 810 73.013 38.905 30.188 1.00 42.59 C ATOM 29 O VAL A 810 73.669 37.937 29.803 1.00 43.24 O ATOM 30 CB VAL A 810 74.563 40.838 30.515 1.00 36.62 C ATOM 31 CG1 VAL A 810 73.928 41.453 29.273 1.00 32.78 C ATOM 32 CG2 VAL A 810 75.033 41.921 31.475 1.00 28.87 C ATOM 33 H VAL A 810 75.043 38.597 32.177 1.00 0.00 H ATOM 34 N ALA A 811 71.789 39.177 29.747 1.00 39.95 N ATOM 35 CA ALA A 811 71.181 38.449 28.641 1.00 37.88 C ATOM 36 C ALA A 811 71.072 39.350 27.415 1.00 44.09 C ATOM 37 O ALA A 811 70.694 40.516 27.527 1.00 40.94 O ATOM 38 CB ALA A 811 69.817 37.927 29.035 1.00 41.14 C ATOM 39 H ALA A 811 71.247 39.936 30.207 1.00 0.00 H ATOM 40 N VAL A 812 71.401 38.811 26.246 1.00 49.98 N ATOM 41 CA VAL A 812 71.305 39.577 25.009 1.00 42.10 C ATOM 42 C VAL A 812 70.232 39.005 24.090 1.00 44.79 C ATOM 43 O VAL A 812 70.283 37.834 23.716 1.00 61.35 O ATOM 44 CB VAL A 812 72.645 39.612 24.256 1.00 45.51 C ATOM 45 CG1 VAL A 812 72.499 40.391 22.956 1.00 43.97 C ATOM 46 CG2 VAL A 812 73.724 40.223 25.132 1.00 39.61 C ATOM 47 H VAL A 812 71.733 37.826 26.213 1.00 0.00 H ATOM 48 N LEU A 813 69.262 39.839 23.731 1.00 45.69 N ATOM 49 CA LEU A 813 68.166 39.416 22.867 1.00 50.62 C ATOM 50 C LEU A 813 68.406 39.852 21.425 1.00 55.89 C ATOM 51 O LEU A 813 68.641 41.029 21.152 1.00 57.73 O ATOM 52 CB LEU A 813 66.832 39.974 23.372 1.00 49.59 C ATOM 53 CG LEU A 813 66.044 39.149 24.397 1.00 49.59 C ATOM 54 CD1 LEU A 813 66.884 38.793 25.616 1.00 48.64 C ATOM 55 CD2 LEU A 813 64.776 39.882 24.815 1.00 50.20 C ATOM 56 H LEU A 813 69.285 40.820 24.075 1.00 0.00 H ATOM 57 N ILE A 814 68.345 38.893 20.507 1.00 58.98 N ATOM 58 CA ILE A 814 68.627 39.152 19.100 1.00 54.61 C ATOM 59 C ILE A 814 67.503 38.661 18.195 1.00 65.10 C ATOM 60 O ILE A 814 66.646 37.886 18.617 1.00 58.02 O ATOM 61 CB ILE A 814 69.939 38.478 18.661 1.00 54.73 C ATOM 62 CG1 ILE A 814 69.876 36.978 18.949 1.00 59.42 C ATOM 63 CG2 ILE A 814 71.129 39.106 19.369 1.00 53.06 C ATOM 64 CD1 ILE A 814 71.044 36.201 18.404 1.00 58.47 C ATOM 65 H ILE A 814 68.088 37.929 20.801 1.00 0.00 H ATOM 66 N SER A 815 67.518 39.118 16.947 1.00 69.06 N ATOM 67 CA SER A 815 66.562 38.660 15.948 1.00 75.74 C ATOM 68 C SER A 815 67.255 38.467 14.603 1.00 81.51 C ATOM 69 O SER A 815 66.820 37.661 13.781 1.00 84.02 O ATOM 70 CB SER A 815 65.399 39.647 15.808 1.00 75.54 C ATOM 71 OG SER A 815 64.599 39.677 16.978 1.00 75.11 O ATOM 72 HG SER A 815 64.227 38.775 17.145 1.00 0.00 H ATOM 73 H SER A 815 68.233 39.823 16.676 1.00 0.00 H ATOM 74 N GLY A 816 68.342 39.203 14.388 1.00 83.48 N ATOM 75 CA GLY A 816 69.033 39.177 13.112 1.00 85.33 C ATOM 76 C GLY A 816 70.515 38.856 13.181 1.00 84.66 C ATOM 77 O GLY A 816 70.915 37.839 13.750 1.00 87.37 O ATOM 78 H GLY A 816 68.704 39.810 15.151 1.00 0.00 H ATOM 79 N THR A 817 71.326 39.734 12.594 1.00 82.87 N ATOM 80 CA THR A 817 72.764 39.511 12.448 1.00 82.46 C ATOM 81 C THR A 817 73.481 39.390 13.788 1.00 81.95 C ATOM 82 O THR A 817 73.859 38.296 14.198 1.00 80.34 O ATOM 83 CB THR A 817 73.423 40.644 11.636 1.00 82.27 C ATOM 84 OG1 THR A 817 72.761 40.777 10.372 1.00 88.86 O ATOM 85 CG2 THR A 817 74.898 40.348 11.402 1.00 79.12 C ATOM 86 HG1 THR A 817 73.186 41.505 9.853 1.00 0.00 H ATOM 87 H THR A 817 70.919 40.616 12.223 1.00 0.00 H ATOM 88 N GLY A 818 73.682 40.520 14.460 1.00 83.06 N ATOM 89 CA GLY A 818 74.289 40.519 15.778 1.00 81.94 C ATOM 90 C GLY A 818 75.734 40.981 15.824 1.00 81.31 C ATOM 91 O GLY A 818 76.548 40.406 16.544 1.00 75.20 O ATOM 92 H GLY A 818 73.398 41.424 14.031 1.00 0.00 H ATOM 93 N SER A 819 76.061 42.019 15.061 1.00 76.89 N ATOM 94 CA SER A 819 77.395 42.605 15.134 1.00 75.77 C ATOM 95 C SER A 819 77.548 43.368 16.446 1.00 70.48 C ATOM 96 O SER A 819 78.633 43.410 17.027 1.00 70.62 O ATOM 97 CB SER A 819 77.662 43.522 13.938 1.00 72.37 C ATOM 98 OG SER A 819 76.869 44.693 14.001 1.00 67.39 O ATOM 99 HG SER A 819 77.080 45.188 14.832 1.00 0.00 H ATOM 100 H SER A 819 75.359 42.417 14.405 1.00 0.00 H ATOM 101 N ASN A 820 76.453 43.965 16.911 1.00 58.04 N ATOM 102 CA ASN A 820 76.430 44.609 18.220 1.00 45.93 C ATOM 103 C ASN A 820 76.636 43.588 19.327 1.00 42.03 C ATOM 104 O ASN A 820 77.241 43.886 20.355 1.00 44.97 O ATOM 105 CB ASN A 820 75.114 45.356 18.439 1.00 41.78 C ATOM 106 CG ASN A 820 75.145 46.765 17.886 1.00 43.29 C ATOM 107 OD1 ASN A 820 76.165 47.450 17.956 1.00 42.42 O ATOM 108 ND2 ASN A 820 74.023 47.208 17.334 1.00 38.90 N ATOM 109 HD22 ASN A 820 73.184 46.594 17.297 1.00 0.00 H ATOM 110 HD21 ASN A 820 73.982 48.169 16.939 1.00 0.00 H ATOM 111 H ASN A 820 75.593 43.973 16.327 1.00 0.00 H ATOM 112 N LEU A 821 76.118 42.384 19.108 1.00 38.94 N ATOM 113 CA LEU A 821 76.329 41.274 20.026 1.00 41.97 C ATOM 114 C LEU A 821 77.813 40.964 20.171 1.00 44.62 C ATOM 115 O LEU A 821 78.312 40.789 21.280 1.00 45.05 O ATOM 116 CB LEU A 821 75.575 40.030 19.549 1.00 43.51 C ATOM 117 CG LEU A 821 75.909 38.719 20.263 1.00 42.93 C ATOM 118 CD1 LEU A 821 75.545 38.791 21.738 1.00 35.94 C ATOM 119 CD2 LEU A 821 75.212 37.547 19.588 1.00 43.72 C ATOM 120 H LEU A 821 75.544 42.230 18.254 1.00 0.00 H ATOM 121 N GLN A 822 78.514 40.905 19.043 1.00 36.36 N ATOM 122 CA GLN A 822 79.939 40.597 19.042 1.00 37.72 C ATOM 123 C GLN A 822 80.745 41.654 19.790 1.00 42.82 C ATOM 124 O GLN A 822 81.663 41.330 20.545 1.00 35.75 O ATOM 125 CB GLN A 822 80.456 40.464 17.609 1.00 41.40 C ATOM 126 CG GLN A 822 81.881 39.947 17.516 1.00 44.19 C ATOM 127 CD GLN A 822 82.060 38.609 18.207 1.00 46.55 C ATOM 128 OE1 GLN A 822 81.471 37.606 17.805 1.00 48.26 O ATOM 129 NE2 GLN A 822 82.878 38.588 19.253 1.00 47.50 N ATOM 130 HE22 GLN A 822 83.355 39.460 19.558 1.00 0.00 H ATOM 131 HE21 GLN A 822 83.042 37.699 19.767 1.00 0.00 H ATOM 132 H GLN A 822 78.034 41.083 18.138 1.00 0.00 H ATOM 133 N ALA A 823 80.395 42.919 19.576 1.00 41.35 N ATOM 134 CA ALA A 823 81.059 44.024 20.257 1.00 38.71 C ATOM 135 C ALA A 823 80.808 43.950 21.760 1.00 36.16 C ATOM 136 O ALA A 823 81.689 44.262 22.561 1.00 36.20 O ATOM 137 CB ALA A 823 80.584 45.357 19.699 1.00 33.88 C ATOM 138 H ALA A 823 79.627 43.125 18.905 1.00 0.00 H ATOM 139 N LEU A 824 79.604 43.531 22.136 1.00 36.17 N ATOM 140 CA LEU A 824 79.273 43.342 23.542 1.00 34.56 C ATOM 141 C LEU A 824 80.092 42.200 24.131 1.00 36.77 C ATOM 142 O LEU A 824 80.621 42.311 25.236 1.00 37.76 O ATOM 143 CB LEU A 824 77.778 43.070 23.720 1.00 33.41 C ATOM 144 CG LEU A 824 76.836 44.249 23.467 1.00 36.42 C ATOM 145 CD1 LEU A 824 75.386 43.798 23.535 1.00 36.30 C ATOM 146 CD2 LEU A 824 77.098 45.382 24.453 1.00 36.26 C ATOM 147 H LEU A 824 78.884 43.334 21.412 1.00 0.00 H ATOM 148 N ILE A 825 80.197 41.109 23.378 1.00 39.51 N ATOM 149 CA ILE A 825 80.949 39.936 23.808 1.00 33.11 C ATOM 150 C ILE A 825 82.421 40.264 24.038 1.00 33.54 C ATOM 151 O ILE A 825 83.002 39.870 25.048 1.00 43.80 O ATOM 152 CB ILE A 825 80.843 38.794 22.779 1.00 38.04 C ATOM 153 CG1 ILE A 825 79.420 38.236 22.740 1.00 40.62 C ATOM 154 CG2 ILE A 825 81.824 37.679 23.110 1.00 39.15 C ATOM 155 CD1 ILE A 825 79.208 37.189 21.669 1.00 39.69 C ATOM 156 H ILE A 825 79.727 41.092 22.451 1.00 0.00 H ATOM 157 N ASP A 826 83.015 40.994 23.099 1.00 35.93 N ATOM 158 CA ASP A 826 84.428 41.346 23.178 1.00 39.85 C ATOM 159 C ASP A 826 84.742 42.210 24.398 1.00 39.17 C ATOM 160 O ASP A 826 85.787 42.050 25.030 1.00 47.18 O ATOM 161 CB ASP A 826 84.866 42.071 21.903 1.00 36.97 C ATOM 162 CG ASP A 826 84.760 41.196 20.669 1.00 46.84 C ATOM 163 OD1 ASP A 826 84.492 39.984 20.817 1.00 46.22 O ATOM 164 OD2 ASP A 826 84.943 41.719 19.549 1.00 50.01 O ATOM 165 H ASP A 826 82.457 41.323 22.286 1.00 0.00 H ATOM 166 N SER A 827 83.832 43.120 24.729 1.00 31.23 N ATOM 167 CA SER A 827 84.048 44.059 25.825 1.00 32.34 C ATOM 168 C SER A 827 83.883 43.399 27.191 1.00 34.17 C ATOM 169 O SER A 827 84.387 43.903 28.195 1.00 32.88 O ATOM 170 CB SER A 827 83.092 45.247 25.701 1.00 34.10 C ATOM 171 OG SER A 827 81.759 44.858 25.985 1.00 39.35 O ATOM 172 HG SER A 827 81.478 44.156 25.346 1.00 0.00 H ATOM 173 H SER A 827 82.942 43.164 24.193 1.00 0.00 H ATOM 174 N THR A 828 83.175 42.275 27.227 1.00 36.33 N ATOM 175 CA THR A 828 82.974 41.547 28.476 1.00 39.91 C ATOM 176 C THR A 828 84.122 40.584 28.756 1.00 41.88 C ATOM 177 O THR A 828 84.254 40.067 29.865 1.00 47.10 O ATOM 178 CB THR A 828 81.647 40.766 28.468 1.00 40.73 C ATOM 179 OG1 THR A 828 81.641 39.836 27.378 1.00 42.06 O ATOM 180 CG2 THR A 828 80.471 41.719 28.337 1.00 38.74 C ATOM 181 HG1 THR A 828 81.738 40.329 26.525 1.00 0.00 H ATOM 182 H THR A 828 82.756 41.907 26.349 1.00 0.00 H ATOM 183 N ARG A 829 84.953 40.347 27.746 1.00 40.49 N ATOM 184 CA ARG A 829 86.142 39.524 27.916 1.00 46.14 C ATOM 185 C ARG A 829 87.249 40.336 28.579 1.00 49.57 C ATOM 186 O ARG A 829 88.218 39.779 29.097 1.00 56.78 O ATOM 187 CB ARG A 829 86.621 38.971 26.573 1.00 52.57 C ATOM 188 CG ARG A 829 85.573 38.172 25.814 1.00 56.15 C ATOM 189 CD ARG A 829 85.197 36.896 26.549 1.00 60.10 C ATOM 190 NE ARG A 829 84.472 35.970 25.684 1.00 63.60 N ATOM 191 CZ ARG A 829 83.579 35.084 26.114 1.00 66.53 C ATOM 192 NH1 ARG A 829 83.292 35.002 27.406 1.00 71.14 N ATOM 193 NH2 ARG A 829 82.971 34.282 25.251 1.00 63.91 N ATOM 194 HE ARG A 829 84.667 36.006 24.663 1.00 0.00 H ATOM 195 HH12 ARG A 829 82.593 34.308 27.740 1.00 0.00 H ATOM 196 HH11 ARG A 829 83.766 35.631 28.085 1.00 0.00 H ATOM 197 HH22 ARG A 829 82.273 33.589 25.588 1.00 0.00 H ATOM 198 HH21 ARG A 829 83.193 34.346 24.237 1.00 0.00 H ATOM 199 H ARG A 829 84.749 40.759 26.813 1.00 0.00 H ATOM 200 N GLU A 830 87.100 41.658 28.553 1.00 47.17 N ATOM 201 CA GLU A 830 88.037 42.552 29.221 1.00 45.33 C ATOM 202 C GLU A 830 88.072 42.259 30.718 1.00 42.89 C ATOM 203 O GLU A 830 87.025 42.097 31.344 1.00 41.54 O ATOM 204 CB GLU A 830 87.656 44.014 28.974 1.00 46.52 C ATOM 205 CG GLU A 830 87.654 44.426 27.507 1.00 52.69 C ATOM 206 CD GLU A 830 89.028 44.341 26.871 1.00 68.56 C ATOM 207 OE1 GLU A 830 89.920 45.118 27.271 1.00 75.67 O ATOM 208 OE2 GLU A 830 89.214 43.501 25.965 1.00 75.03 O ATOM 209 H GLU A 830 86.291 42.065 28.041 1.00 0.00 H ATOM 210 N PRO A 831 89.280 42.176 31.294 1.00 41.90 N ATOM 211 CA PRO A 831 89.472 41.865 32.715 1.00 43.75 C ATOM 212 C PRO A 831 88.719 42.808 33.652 1.00 40.36 C ATOM 213 O PRO A 831 88.273 42.380 34.715 1.00 46.49 O ATOM 214 CB PRO A 831 90.985 42.014 32.901 1.00 41.23 C ATOM 215 CG PRO A 831 91.551 41.724 31.558 1.00 42.78 C ATOM 216 CD PRO A 831 90.563 42.291 30.578 1.00 39.53 C ATOM 217 N ASN A 832 88.574 44.069 33.255 1.00 33.82 N ATOM 218 CA ASN A 832 87.921 45.068 34.095 1.00 35.96 C ATOM 219 C ASN A 832 86.420 45.191 33.841 1.00 32.68 C ATOM 220 O ASN A 832 85.760 46.063 34.408 1.00 33.32 O ATOM 221 CB ASN A 832 88.581 46.434 33.898 1.00 31.90 C ATOM 222 CG ASN A 832 89.934 46.532 34.571 1.00 34.18 C ATOM 223 OD1 ASN A 832 90.241 45.772 35.489 1.00 43.96 O ATOM 224 ND2 ASN A 832 90.754 47.472 34.117 1.00 40.71 N ATOM 225 HD22 ASN A 832 90.453 48.093 33.339 1.00 0.00 H ATOM 226 HD21 ASN A 832 91.697 47.588 34.540 1.00 0.00 H ATOM 227 H ASN A 832 88.935 44.351 32.321 1.00 0.00 H ATOM 228 N SER A 833 85.884 44.318 32.993 1.00 30.35 N ATOM 229 CA SER A 833 84.465 44.357 32.649 1.00 33.17 C ATOM 230 C SER A 833 83.589 44.011 33.847 1.00 32.55 C ATOM 231 O SER A 833 83.892 43.088 34.602 1.00 36.48 O ATOM 232 CB SER A 833 84.164 43.400 31.493 1.00 30.46 C ATOM 233 OG SER A 833 82.769 43.293 31.273 1.00 31.64 O ATOM 234 HG SER A 833 82.402 44.185 31.051 1.00 0.00 H ATOM 235 H SER A 833 86.490 43.590 32.564 1.00 0.00 H ATOM 236 N SER A 834 82.503 44.758 34.015 1.00 30.03 N ATOM 237 CA SER A 834 81.578 44.521 35.116 1.00 31.94 C ATOM 238 C SER A 834 80.424 43.634 34.665 1.00 32.78 C ATOM 239 O SER A 834 79.563 43.262 35.463 1.00 40.99 O ATOM 240 CB SER A 834 81.042 45.845 35.669 1.00 34.67 C ATOM 241 OG SER A 834 82.057 46.578 36.332 1.00 39.65 O ATOM 242 HG SER A 834 81.679 47.426 36.676 1.00 0.00 H ATOM 243 H SER A 834 82.309 45.530 33.345 1.00 0.00 H ATOM 244 N ALA A 835 80.418 43.290 33.382 1.00 31.15 N ATOM 245 CA ALA A 835 79.326 42.514 32.807 1.00 38.22 C ATOM 246 C ALA A 835 79.784 41.156 32.283 1.00 39.32 C ATOM 247 O ALA A 835 80.887 41.019 31.754 1.00 38.96 O ATOM 248 CB ALA A 835 78.658 43.304 31.692 1.00 29.96 C ATOM 249 H ALA A 835 81.210 43.581 32.774 1.00 0.00 H ATOM 250 N GLN A 836 78.925 40.154 32.443 1.00 31.68 N ATOM 251 CA GLN A 836 79.143 38.844 31.842 1.00 31.83 C ATOM 252 C GLN A 836 77.892 38.410 31.081 1.00 35.97 C ATOM 253 O GLN A 836 76.780 38.476 31.606 1.00 30.59 O ATOM 254 CB GLN A 836 79.515 37.803 32.904 1.00 30.93 C ATOM 255 CG GLN A 836 78.544 37.712 34.073 1.00 31.62 C ATOM 256 CD GLN A 836 78.827 36.527 34.977 1.00 37.30 C ATOM 257 OE1 GLN A 836 78.998 35.401 34.510 1.00 36.90 O ATOM 258 NE2 GLN A 836 78.874 36.776 36.281 1.00 40.98 N ATOM 259 HE22 GLN A 836 78.723 37.744 36.631 1.00 0.00 H ATOM 260 HE21 GLN A 836 79.061 36.003 36.952 1.00 0.00 H ATOM 261 H GLN A 836 78.071 40.310 33.015 1.00 0.00 H ATOM 262 N ILE A 837 78.075 37.985 29.836 1.00 35.77 N ATOM 263 CA ILE A 837 76.958 37.517 29.024 1.00 35.11 C ATOM 264 C ILE A 837 76.766 36.021 29.241 1.00 35.48 C ATOM 265 O ILE A 837 77.609 35.215 28.850 1.00 42.48 O ATOM 266 CB ILE A 837 77.177 37.811 27.528 1.00 37.41 C ATOM 267 CG1 ILE A 837 77.309 39.318 27.298 1.00 38.31 C ATOM 268 CG2 ILE A 837 76.027 37.258 26.701 1.00 35.02 C ATOM 269 CD1 ILE A 837 77.725 39.688 25.891 1.00 42.96 C ATOM 270 H ILE A 837 79.034 37.986 29.433 1.00 0.00 H ATOM 271 N ASP A 838 75.654 35.659 29.871 1.00 38.95 N ATOM 272 CA ASP A 838 75.425 34.282 30.294 1.00 44.22 C ATOM 273 C ASP A 838 74.442 33.537 29.394 1.00 51.04 C ATOM 274 O ASP A 838 74.357 32.310 29.445 1.00 56.40 O ATOM 275 CB ASP A 838 74.920 34.258 31.737 1.00 46.12 C ATOM 276 CG ASP A 838 75.943 34.792 32.719 1.00 44.89 C ATOM 277 OD1 ASP A 838 77.085 34.288 32.726 1.00 42.48 O ATOM 278 OD2 ASP A 838 75.608 35.723 33.479 1.00 46.50 O ATOM 279 H ASP A 838 74.927 36.376 30.068 1.00 0.00 H ATOM 280 N ILE A 839 73.700 34.278 28.577 1.00 41.74 N ATOM 281 CA ILE A 839 72.708 33.671 27.695 1.00 44.60 C ATOM 282 C ILE A 839 72.333 34.600 26.539 1.00 54.60 C ATOM 283 O ILE A 839 72.203 35.813 26.715 1.00 50.96 O ATOM 284 CB ILE A 839 71.429 33.272 28.480 1.00 50.48 C ATOM 285 CG1 ILE A 839 70.437 32.537 27.576 1.00 50.19 C ATOM 286 CG2 ILE A 839 70.784 34.483 29.134 1.00 44.19 C ATOM 287 CD1 ILE A 839 70.879 31.146 27.203 1.00 53.55 C ATOM 288 H ILE A 839 73.829 35.310 28.566 1.00 0.00 H ATOM 289 N VAL A 840 72.182 34.021 25.351 1.00 56.88 N ATOM 290 CA VAL A 840 71.734 34.763 24.178 1.00 52.52 C ATOM 291 C VAL A 840 70.411 34.189 23.680 1.00 57.72 C ATOM 292 O VAL A 840 70.303 32.989 23.431 1.00 53.16 O ATOM 293 CB VAL A 840 72.775 34.721 23.045 1.00 49.25 C ATOM 294 CG1 VAL A 840 72.163 35.194 21.735 1.00 48.14 C ATOM 295 CG2 VAL A 840 73.994 35.554 23.413 1.00 43.13 C ATOM 296 H VAL A 840 72.390 33.007 25.256 1.00 0.00 H ATOM 297 N ILE A 841 69.406 35.046 23.537 1.00 49.64 N ATOM 298 CA ILE A 841 68.073 34.590 23.162 1.00 53.20 C ATOM 299 C ILE A 841 67.613 35.183 21.833 1.00 63.64 C ATOM 300 O ILE A 841 67.569 36.402 21.667 1.00 65.83 O ATOM 301 CB ILE A 841 67.043 34.937 24.252 1.00 52.79 C ATOM 302 CG1 ILE A 841 67.393 34.222 25.559 1.00 60.05 C ATOM 303 CG2 ILE A 841 65.643 34.554 23.805 1.00 56.74 C ATOM 304 CD1 ILE A 841 66.550 34.656 26.734 1.00 51.70 C ATOM 305 H ILE A 841 69.573 36.060 23.695 1.00 0.00 H ATOM 306 N SER A 842 67.272 34.310 20.890 1.00 64.58 N ATOM 307 CA SER A 842 66.756 34.739 19.595 1.00 67.04 C ATOM 308 C SER A 842 65.312 34.289 19.416 1.00 70.82 C ATOM 309 O SER A 842 64.966 33.149 19.722 1.00 73.95 O ATOM 310 CB SER A 842 67.620 34.189 18.458 1.00 69.20 C ATOM 311 OG SER A 842 67.105 34.575 17.194 1.00 72.42 O ATOM 312 HG SER A 842 66.185 34.223 17.092 1.00 0.00 H ATOM 313 H SER A 842 67.376 33.293 21.081 1.00 0.00 H ATOM 314 N ASN A 843 64.471 35.191 18.920 1.00 71.72 N ATOM 315 CA ASN A 843 63.072 34.867 18.670 1.00 76.98 C ATOM 316 C ASN A 843 62.895 34.156 17.333 1.00 81.87 C ATOM 317 O ASN A 843 61.806 33.682 17.008 1.00 84.00 O ATOM 318 CB ASN A 843 62.213 36.132 18.713 1.00 79.14 C ATOM 319 CG ASN A 843 62.518 37.083 17.573 1.00 82.10 C ATOM 320 OD1 ASN A 843 63.677 37.290 17.213 1.00 83.01 O ATOM 321 ND2 ASN A 843 61.474 37.668 16.997 1.00 84.28 N ATOM 322 HD22 ASN A 843 60.512 37.463 17.334 1.00 0.00 H ATOM 323 HD21 ASN A 843 61.619 38.331 16.209 1.00 0.00 H ATOM 324 H ASN A 843 64.818 36.148 18.706 1.00 0.00 H ATOM 325 N LYS A 844 63.974 34.089 16.560 1.00 82.54 N ATOM 326 CA LYS A 844 63.965 33.392 15.279 1.00 89.01 C ATOM 327 C LYS A 844 65.061 32.334 15.246 1.00 89.87 C ATOM 328 O LYS A 844 66.158 32.546 15.762 1.00 86.37 O ATOM 329 CB LYS A 844 64.137 34.378 14.133 1.00 89.79 C ATOM 330 H LYS A 844 64.851 34.548 16.878 1.00 0.00 H ATOM 331 N ALA A 845 64.757 31.194 14.634 1.00 93.91 N ATOM 332 CA ALA A 845 65.694 30.079 14.589 1.00 93.73 C ATOM 333 C ALA A 845 66.753 30.269 13.508 1.00 96.15 C ATOM 334 O ALA A 845 66.462 30.767 12.420 1.00101.36 O ATOM 335 CB ALA A 845 64.946 28.773 14.369 1.00 96.67 C ATOM 336 H ALA A 845 63.828 31.095 14.176 1.00 0.00 H ATOM 337 N ALA A 846 67.981 29.872 13.833 1.00 91.84 N ATOM 338 CA ALA A 846 69.099 29.865 12.891 1.00 90.30 C ATOM 339 C ALA A 846 69.386 31.233 12.276 1.00 87.67 C ATOM 340 O ALA A 846 69.500 31.363 11.057 1.00 92.49 O ATOM 341 CB ALA A 846 68.849 28.839 11.790 1.00 96.57 C ATOM 342 H ALA A 846 68.154 29.550 14.807 1.00 0.00 H ATOM 343 N VAL A 847 69.502 32.251 13.123 1.00 82.98 N ATOM 344 CA VAL A 847 69.979 33.554 12.678 1.00 74.31 C ATOM 345 C VAL A 847 71.470 33.662 12.981 1.00 75.13 C ATOM 346 O VAL A 847 71.997 32.907 13.798 1.00 75.58 O ATOM 347 CB VAL A 847 69.213 34.713 13.346 1.00 77.31 C ATOM 348 CG1 VAL A 847 67.723 34.584 13.072 1.00 74.91 C ATOM 349 CG2 VAL A 847 69.480 34.737 14.842 1.00 73.86 C ATOM 350 H VAL A 847 69.247 32.115 14.122 1.00 0.00 H ATOM 351 N ALA A 848 72.144 34.600 12.324 1.00 69.92 N ATOM 352 CA ALA A 848 73.600 34.697 12.394 1.00 74.66 C ATOM 353 C ALA A 848 74.123 35.021 13.795 1.00 74.18 C ATOM 354 O ALA A 848 75.309 34.845 14.074 1.00 73.94 O ATOM 355 CB ALA A 848 74.097 35.737 11.400 1.00 68.03 C ATOM 356 H ALA A 848 71.620 35.285 11.743 1.00 0.00 H ATOM 357 N GLY A 849 73.242 35.490 14.673 1.00 72.15 N ATOM 358 CA GLY A 849 73.635 35.844 16.025 1.00 68.07 C ATOM 359 C GLY A 849 73.874 34.644 16.918 1.00 68.96 C ATOM 360 O GLY A 849 74.690 34.697 17.839 1.00 69.89 O ATOM 361 H GLY A 849 72.249 35.606 14.385 1.00 0.00 H ATOM 362 N LEU A 850 73.156 33.560 16.645 1.00 71.00 N ATOM 363 CA LEU A 850 73.290 32.331 17.417 1.00 71.87 C ATOM 364 C LEU A 850 74.666 31.704 17.227 1.00 71.92 C ATOM 365 O LEU A 850 75.228 31.121 18.155 1.00 75.93 O ATOM 366 CB LEU A 850 72.204 31.331 17.021 1.00 65.54 C ATOM 367 CG LEU A 850 70.765 31.759 17.306 1.00 65.86 C ATOM 368 CD1 LEU A 850 69.789 30.703 16.821 1.00 71.15 C ATOM 369 CD2 LEU A 850 70.580 32.023 18.789 1.00 62.48 C ATOM 370 H LEU A 850 72.478 33.589 15.857 1.00 0.00 H ATOM 371 N ASP A 851 75.201 31.827 16.017 1.00 67.56 N ATOM 372 CA ASP A 851 76.503 31.259 15.694 1.00 71.39 C ATOM 373 C ASP A 851 77.630 32.054 16.344 1.00 70.21 C ATOM 374 O ASP A 851 78.623 31.480 16.789 1.00 70.64 O ATOM 375 CB ASP A 851 76.702 31.201 14.179 1.00 78.52 C ATOM 376 CG ASP A 851 75.751 30.231 13.505 1.00 88.06 C ATOM 377 OD1 ASP A 851 76.056 29.020 13.479 1.00 93.54 O ATOM 378 OD2 ASP A 851 74.698 30.678 13.001 1.00 91.39 O ATOM 379 H ASP A 851 74.677 32.342 15.281 1.00 0.00 H ATOM 380 N LYS A 852 77.473 33.374 16.395 1.00 69.89 N ATOM 381 CA LYS A 852 78.443 34.230 17.069 1.00 66.25 C ATOM 382 C LYS A 852 78.502 33.890 18.552 1.00 65.71 C ATOM 383 O LYS A 852 79.575 33.872 19.156 1.00 67.72 O ATOM 384 CB LYS A 852 78.091 35.709 16.888 1.00 63.36 C ATOM 385 CG LYS A 852 78.046 36.187 15.447 1.00 64.65 C ATOM 386 CD LYS A 852 77.638 37.651 15.386 1.00 59.72 C ATOM 387 CE LYS A 852 77.464 38.133 13.956 1.00 62.29 C ATOM 388 NZ LYS A 852 78.715 37.989 13.165 1.00 65.42 N ATOM 389 HZ1 LYS A 852 79.470 38.550 13.608 1.00 0.00 H ATOM 390 HZ2 LYS A 852 78.994 36.988 13.140 1.00 0.00 H ATOM 391 HZ3 LYS A 852 78.552 38.329 12.196 1.00 0.00 H ATOM 392 H LYS A 852 76.641 33.805 15.945 1.00 0.00 H ATOM 393 N ALA A 853 77.336 33.618 19.129 1.00 63.45 N ATOM 394 CA ALA A 853 77.232 33.280 20.542 1.00 60.00 C ATOM 395 C ALA A 853 77.782 31.885 20.820 1.00 61.35 C ATOM 396 O ALA A 853 78.372 31.641 21.872 1.00 61.85 O ATOM 397 CB ALA A 853 75.788 33.383 21.002 1.00 60.15 C ATOM 398 H ALA A 853 76.470 33.647 18.553 1.00 0.00 H ATOM 399 N GLU A 854 77.586 30.972 19.874 1.00 58.96 N ATOM 400 CA GLU A 854 78.088 29.610 20.021 1.00 61.67 C ATOM 401 C GLU A 854 79.593 29.558 19.786 1.00 65.54 C ATOM 402 O GLU A 854 80.301 28.769 20.413 1.00 72.87 O ATOM 403 CB GLU A 854 77.370 28.657 19.063 1.00 65.42 C ATOM 404 CG GLU A 854 76.001 28.202 19.549 1.00 70.23 C ATOM 405 CD GLU A 854 75.163 27.589 18.443 1.00 78.27 C ATOM 406 OE1 GLU A 854 75.579 26.550 17.889 1.00 82.15 O ATOM 407 OE2 GLU A 854 74.085 28.140 18.135 1.00 81.30 O ATOM 408 H GLU A 854 77.065 31.233 19.013 1.00 0.00 H ATOM 409 N ARG A 855 80.075 30.402 18.880 1.00 64.27 N ATOM 410 CA ARG A 855 81.506 30.514 18.621 1.00 65.88 C ATOM 411 C ARG A 855 82.218 31.112 19.828 1.00 62.88 C ATOM 412 O ARG A 855 83.395 30.841 20.063 1.00 65.17 O ATOM 413 CB ARG A 855 81.762 31.356 17.381 1.00 57.25 C ATOM 414 H ARG A 855 79.415 30.998 18.341 1.00 0.00 H ATOM 415 N ALA A 856 81.496 31.927 20.590 1.00 60.44 N ATOM 416 CA ALA A 856 82.057 32.563 21.775 1.00 60.32 C ATOM 417 C ALA A 856 81.961 31.647 22.991 1.00 61.16 C ATOM 418 O ALA A 856 82.659 31.846 23.984 1.00 63.24 O ATOM 419 CB ALA A 856 81.354 33.883 22.050 1.00 60.02 C ATOM 420 H ALA A 856 80.506 32.116 20.334 1.00 0.00 H ATOM 421 N GLY A 857 81.094 30.644 22.905 1.00 59.91 N ATOM 422 CA GLY A 857 80.909 29.702 23.994 1.00 58.10 C ATOM 423 C GLY A 857 79.812 30.132 24.948 1.00 56.54 C ATOM 424 O GLY A 857 79.881 29.874 26.149 1.00 56.23 O ATOM 425 H GLY A 857 80.534 30.531 22.036 1.00 0.00 H ATOM 426 N ILE A 858 78.795 30.792 24.405 1.00 55.70 N ATOM 427 CA ILE A 858 77.675 31.280 25.199 1.00 53.09 C ATOM 428 C ILE A 858 76.406 30.505 24.863 1.00 57.13 C ATOM 429 O ILE A 858 76.068 30.351 23.689 1.00 61.05 O ATOM 430 CB ILE A 858 77.440 32.786 24.964 1.00 44.85 C ATOM 431 CG1 ILE A 858 78.725 33.571 25.234 1.00 42.13 C ATOM 432 CG2 ILE A 858 76.298 33.301 25.832 1.00 48.80 C ATOM 433 CD1 ILE A 858 78.559 35.070 25.139 1.00 39.60 C ATOM 434 H ILE A 858 78.798 30.966 23.380 1.00 0.00 H ATOM 435 N PRO A 859 75.708 30.002 25.895 1.00 58.64 N ATOM 436 CA PRO A 859 74.451 29.262 25.720 1.00 64.01 C ATOM 437 C PRO A 859 73.414 30.046 24.920 1.00 65.66 C ATOM 438 O PRO A 859 73.290 31.259 25.090 1.00 63.11 O ATOM 439 CB PRO A 859 73.973 29.040 27.158 1.00 56.15 C ATOM 440 CG PRO A 859 75.217 29.061 27.972 1.00 54.52 C ATOM 441 CD PRO A 859 76.123 30.057 27.308 1.00 54.86 C ATOM 442 N THR A 860 72.684 29.353 24.051 1.00 67.65 N ATOM 443 CA THR A 860 71.677 29.994 23.214 1.00 65.80 C ATOM 444 C THR A 860 70.318 29.323 23.360 1.00 68.50 C ATOM 445 O THR A 860 70.226 28.102 23.484 1.00 73.66 O ATOM 446 CB THR A 860 72.077 29.977 21.725 1.00 66.75 C ATOM 447 OG1 THR A 860 72.262 28.623 21.293 1.00 71.76 O ATOM 448 CG2 THR A 860 73.364 30.752 21.507 1.00 62.15 C ATOM 449 HG1 THR A 860 71.417 28.121 21.413 1.00 0.00 H ATOM 450 H THR A 860 72.835 28.328 23.966 1.00 0.00 H ATOM 451 N ARG A 861 69.266 30.135 23.343 1.00 68.22 N ATOM 452 CA ARG A 861 67.900 29.634 23.427 1.00 65.99 C ATOM 453 C ARG A 861 67.020 30.309 22.383 1.00 68.58 C ATOM 454 O ARG A 861 67.049 31.530 22.232 1.00 63.75 O ATOM 455 CB ARG A 861 67.325 29.862 24.827 1.00 64.71 C ATOM 456 CG ARG A 861 68.080 29.155 25.939 1.00 65.56 C ATOM 457 CD ARG A 861 67.848 27.654 25.903 1.00 70.92 C ATOM 458 NE ARG A 861 68.640 26.956 26.911 1.00 69.98 N ATOM 459 CZ ARG A 861 68.276 26.816 28.182 1.00 70.31 C ATOM 460 NH1 ARG A 861 69.060 26.165 29.030 1.00 71.00 N ATOM 461 NH2 ARG A 861 67.129 27.329 28.606 1.00 70.28 N ATOM 462 HE ARG A 861 69.547 26.542 26.616 1.00 0.00 H ATOM 463 HH12 ARG A 861 68.774 26.056 30.024 1.00 0.00 H ATOM 464 HH11 ARG A 861 69.961 25.763 28.701 1.00 0.00 H ATOM 465 HH22 ARG A 861 66.846 27.218 29.601 1.00 0.00 H ATOM 466 HH21 ARG A 861 66.512 27.842 27.944 1.00 0.00 H ATOM 467 H ARG A 861 69.423 31.160 23.267 1.00 0.00 H ATOM 468 N VAL A 862 66.241 29.511 21.660 1.00 72.54 N ATOM 469 CA VAL A 862 65.325 30.050 20.661 1.00 73.67 C ATOM 470 C VAL A 862 63.885 29.984 21.153 1.00 76.10 C ATOM 471 O VAL A 862 63.361 28.906 21.432 1.00 80.85 O ATOM 472 CB VAL A 862 65.434 29.304 19.319 1.00 78.04 C ATOM 473 CG1 VAL A 862 64.378 29.810 18.347 1.00 80.69 C ATOM 474 CG2 VAL A 862 66.825 29.470 18.731 1.00 75.90 C ATOM 475 H VAL A 862 66.285 28.483 21.809 1.00 0.00 H ATOM 476 N ILE A 863 63.252 31.146 21.260 1.00 74.02 N ATOM 477 CA ILE A 863 61.868 31.227 21.704 1.00 83.69 C ATOM 478 C ILE A 863 61.011 31.860 20.611 1.00 89.87 C ATOM 479 O ILE A 863 60.821 33.075 20.576 1.00 90.43 O ATOM 480 CB ILE A 863 61.747 32.029 23.011 1.00 74.99 C ATOM 481 CG1 ILE A 863 62.751 31.500 24.038 1.00 70.13 C ATOM 482 CG2 ILE A 863 60.329 31.957 23.555 1.00 76.16 C ATOM 483 CD1 ILE A 863 62.696 32.199 25.368 1.00 66.79 C ATOM 484 H ILE A 863 63.759 32.022 21.020 1.00 0.00 H ATOM 485 N ASN A 864 60.507 31.017 19.715 1.00 95.06 N ATOM 486 CA ASN A 864 59.761 31.464 18.544 1.00 99.86 C ATOM 487 C ASN A 864 58.392 32.029 18.912 1.00104.73 C ATOM 488 O ASN A 864 57.481 31.280 19.260 1.00111.71 O ATOM 489 CB ASN A 864 59.601 30.302 17.559 1.00103.85 C ATOM 490 CG ASN A 864 59.202 30.759 16.168 1.00105.04 C ATOM 491 OD1 ASN A 864 58.328 31.608 16.004 1.00104.67 O ATOM 492 ND2 ASN A 864 59.841 30.186 15.155 1.00106.97 N ATOM 493 HD22 ASN A 864 60.574 29.472 15.340 1.00 0.00 H ATOM 494 HD21 ASN A 864 59.608 30.451 14.177 1.00 0.00 H ATOM 495 H ASN A 864 60.651 29.996 19.855 1.00 0.00 H ATOM 496 N HIS A 865 58.245 33.348 18.810 1.00 99.47 N ATOM 497 CA HIS A 865 57.002 34.019 19.190 1.00 94.12 C ATOM 498 C HIS A 865 55.833 33.624 18.290 1.00 97.85 C ATOM 499 O HIS A 865 54.671 33.808 18.654 1.00 95.65 O ATOM 500 CB HIS A 865 57.187 35.540 19.170 1.00 88.62 C ATOM 501 CG HIS A 865 57.189 36.135 17.797 1.00 89.12 C ATOM 502 ND1 HIS A 865 58.349 36.397 17.101 1.00 84.52 N ATOM 503 CD2 HIS A 865 56.172 36.535 16.997 1.00 88.86 C ATOM 504 CE1 HIS A 865 58.047 36.922 15.927 1.00 87.03 C ATOM 505 NE2 HIS A 865 56.732 37.017 15.839 1.00 89.20 N ATOM 506 H HIS A 865 59.037 33.918 18.450 1.00 0.00 H ATOM 507 N LYS A 866 56.143 33.080 17.117 1.00 99.08 N ATOM 508 CA LYS A 866 55.113 32.589 16.207 1.00105.26 C ATOM 509 C LYS A 866 54.719 31.159 16.569 1.00109.79 C ATOM 510 O LYS A 866 54.309 30.378 15.710 1.00116.48 O ATOM 511 CB LYS A 866 55.590 32.664 14.765 1.00105.18 C ATOM 512 H LYS A 866 57.143 33.003 16.842 1.00 0.00 H ATOM 513 N LEU A 867 54.855 30.826 17.848 1.00105.78 N ATOM 514 CA LEU A 867 54.457 29.523 18.361 1.00109.68 C ATOM 515 C LEU A 867 53.855 29.683 19.751 1.00110.03 C ATOM 516 O LEU A 867 53.805 28.734 20.533 1.00114.02 O ATOM 517 CB LEU A 867 55.644 28.573 18.394 1.00107.85 C ATOM 518 H LEU A 867 55.260 31.521 18.507 1.00 0.00 H ATOM 519 N TYR A 868 53.405 30.897 20.050 1.00104.65 N ATOM 520 CA TYR A 868 52.810 31.209 21.344 1.00106.48 C ATOM 521 C TYR A 868 51.465 31.906 21.161 1.00106.37 C ATOM 522 O TYR A 868 51.186 32.460 20.097 1.00107.93 O ATOM 523 CB TYR A 868 53.759 32.076 22.177 1.00 97.80 C ATOM 524 CG TYR A 868 54.972 31.329 22.692 1.00 93.58 C ATOM 525 CD1 TYR A 868 54.977 30.760 23.959 1.00 94.33 C ATOM 526 CD2 TYR A 868 56.109 31.190 21.911 1.00 91.73 C ATOM 527 CE1 TYR A 868 56.081 30.074 24.432 1.00 91.38 C ATOM 528 CE2 TYR A 868 57.218 30.507 22.373 1.00 93.74 C ATOM 529 CZ TYR A 868 57.199 29.951 23.635 1.00 89.51 C ATOM 530 OH TYR A 868 58.301 29.270 24.100 1.00 87.87 O ATOM 531 HH TYR A 868 58.121 28.938 25.015 1.00 0.00 H ATOM 532 H TYR A 868 53.480 31.650 19.337 1.00 0.00 H ATOM 533 N LYS A 869 50.640 31.871 22.204 1.00107.56 N ATOM 534 CA LYS A 869 49.282 32.407 22.149 1.00119.26 C ATOM 535 C LYS A 869 49.255 33.891 21.794 1.00111.86 C ATOM 536 O LYS A 869 48.503 34.312 20.914 1.00111.54 O ATOM 537 CB LYS A 869 48.574 32.172 23.474 1.00122.71 C ATOM 538 H LYS A 869 50.974 31.446 23.092 1.00 0.00 H ATOM 539 N ASN A 870 50.073 34.679 22.484 1.00101.81 N ATOM 540 CA ASN A 870 50.172 36.108 22.212 1.00100.36 C ATOM 541 C ASN A 870 51.475 36.704 22.740 1.00 97.01 C ATOM 542 O ASN A 870 52.461 35.991 22.929 1.00 97.39 O ATOM 543 CB ASN A 870 48.970 36.849 22.806 1.00100.46 C ATOM 544 CG ASN A 870 48.964 36.836 24.321 1.00109.20 C ATOM 545 OD1 ASN A 870 49.525 37.724 24.964 1.00101.95 O ATOM 546 ND2 ASN A 870 48.325 35.827 24.900 1.00113.01 N ATOM 547 HD22 ASN A 870 47.865 35.099 24.316 1.00 0.00 H ATOM 548 HD21 ASN A 870 48.284 35.764 25.937 1.00 0.00 H ATOM 549 H ASN A 870 50.658 34.265 23.238 1.00 0.00 H ATOM 550 N ARG A 871 51.471 38.013 22.973 1.00 93.29 N ATOM 551 CA ARG A 871 52.670 38.728 23.398 1.00 86.66 C ATOM 552 C ARG A 871 53.100 38.358 24.815 1.00 85.75 C ATOM 553 O ARG A 871 54.235 37.937 25.035 1.00 84.50 O ATOM 554 CB ARG A 871 52.445 40.232 23.297 1.00 81.21 C ATOM 555 H ARG A 871 50.586 38.544 22.848 1.00 0.00 H ATOM 556 N VAL A 872 52.185 38.518 25.766 1.00 88.68 N ATOM 557 CA VAL A 872 52.483 38.313 27.182 1.00 86.01 C ATOM 558 C VAL A 872 52.966 36.891 27.470 1.00 84.56 C ATOM 559 O VAL A 872 53.922 36.691 28.223 1.00 83.25 O ATOM 560 CB VAL A 872 51.247 38.624 28.057 1.00 81.68 C ATOM 561 CG1 VAL A 872 51.415 38.063 29.463 1.00 80.98 C ATOM 562 CG2 VAL A 872 50.984 40.125 28.093 1.00 79.90 C ATOM 563 H VAL A 872 51.222 38.799 25.492 1.00 0.00 H ATOM 564 N GLU A 873 52.327 35.906 26.848 1.00 88.01 N ATOM 565 CA GLU A 873 52.671 34.510 27.095 1.00 90.09 C ATOM 566 C GLU A 873 53.994 34.126 26.423 1.00 88.47 C ATOM 567 O GLU A 873 54.657 33.177 26.843 1.00 88.23 O ATOM 568 CB GLU A 873 51.534 33.595 26.627 1.00 96.69 C ATOM 569 CG GLU A 873 51.649 32.156 27.108 1.00100.52 C ATOM 570 CD GLU A 873 52.219 31.233 26.053 1.00103.80 C ATOM 571 OE1 GLU A 873 52.206 31.615 24.867 1.00106.46 O ATOM 572 OE2 GLU A 873 52.683 30.130 26.411 1.00104.46 O ATOM 573 H GLU A 873 51.569 36.134 26.174 1.00 0.00 H ATOM 574 N PHE A 874 54.380 34.867 25.386 1.00 86.13 N ATOM 575 CA PHE A 874 55.681 34.682 24.756 1.00 81.34 C ATOM 576 C PHE A 874 56.769 35.397 25.553 1.00 78.40 C ATOM 577 O PHE A 874 57.897 34.910 25.662 1.00 71.63 O ATOM 578 CB PHE A 874 55.655 35.182 23.308 1.00 80.63 C ATOM 579 CG PHE A 874 56.978 35.701 22.821 1.00 77.45 C ATOM 580 CD1 PHE A 874 58.011 34.830 22.516 1.00 75.85 C ATOM 581 CD2 PHE A 874 57.183 37.061 22.652 1.00 75.90 C ATOM 582 CE1 PHE A 874 59.227 35.306 22.067 1.00 72.23 C ATOM 583 CE2 PHE A 874 58.396 37.543 22.201 1.00 69.70 C ATOM 584 CZ PHE A 874 59.419 36.664 21.907 1.00 69.17 C ATOM 585 H PHE A 874 53.737 35.596 25.016 1.00 0.00 H ATOM 586 N ASP A 875 56.421 36.552 26.111 1.00 71.63 N ATOM 587 CA ASP A 875 57.336 37.297 26.966 1.00 66.62 C ATOM 588 C ASP A 875 57.649 36.506 28.229 1.00 69.43 C ATOM 589 O ASP A 875 58.747 36.598 28.777 1.00 62.73 O ATOM 590 CB ASP A 875 56.745 38.659 27.332 1.00 71.22 C ATOM 591 CG ASP A 875 56.810 39.652 26.189 1.00 73.63 C ATOM 592 OD1 ASP A 875 57.003 39.221 25.033 1.00 77.85 O ATOM 593 OD2 ASP A 875 56.668 40.865 26.449 1.00 73.84 O ATOM 594 H ASP A 875 55.470 36.934 25.933 1.00 0.00 H ATOM 595 N SER A 876 56.672 35.727 28.683 1.00 74.26 N ATOM 596 CA SER A 876 56.835 34.902 29.873 1.00 76.16 C ATOM 597 C SER A 876 57.845 33.789 29.634 1.00 71.09 C ATOM 598 O SER A 876 58.599 33.419 30.533 1.00 69.61 O ATOM 599 CB SER A 876 55.493 34.309 30.302 1.00 76.03 C ATOM 600 OG SER A 876 54.538 35.329 30.537 1.00 76.27 O ATOM 601 HG SER A 876 54.404 35.851 29.707 1.00 0.00 H ATOM 602 H SER A 876 55.765 35.706 28.174 1.00 0.00 H ATOM 603 N ALA A 877 57.851 33.255 28.416 1.00 73.24 N ATOM 604 CA ALA A 877 58.791 32.204 28.047 1.00 73.83 C ATOM 605 C ALA A 877 60.218 32.736 28.067 1.00 70.96 C ATOM 606 O ALA A 877 61.151 32.025 28.442 1.00 70.64 O ATOM 607 CB ALA A 877 58.450 31.641 26.680 1.00 77.47 C ATOM 608 H ALA A 877 57.168 33.596 27.709 1.00 0.00 H ATOM 609 N ILE A 878 60.380 33.990 27.660 1.00 68.73 N ATOM 610 CA ILE A 878 61.671 34.660 27.735 1.00 63.76 C ATOM 611 C ILE A 878 62.049 34.901 29.192 1.00 61.83 C ATOM 612 O ILE A 878 63.171 34.615 29.609 1.00 56.35 O ATOM 613 CB ILE A 878 61.662 35.999 26.973 1.00 60.83 C ATOM 614 CG1 ILE A 878 61.607 35.752 25.466 1.00 60.61 C ATOM 615 CG2 ILE A 878 62.896 36.820 27.314 1.00 57.99 C ATOM 616 CD1 ILE A 878 61.700 37.015 24.636 1.00 59.19 C ATOM 617 H ILE A 878 59.563 34.507 27.277 1.00 0.00 H ATOM 618 N ASP A 879 61.092 35.414 29.960 1.00 58.89 N ATOM 619 CA ASP A 879 61.299 35.722 31.370 1.00 57.19 C ATOM 620 C ASP A 879 61.737 34.494 32.163 1.00 65.94 C ATOM 621 O ASP A 879 62.538 34.599 33.094 1.00 56.87 O ATOM 622 CB ASP A 879 60.021 36.304 31.975 1.00 58.71 C ATOM 623 CG ASP A 879 60.250 36.918 33.338 1.00 63.55 C ATOM 624 OD1 ASP A 879 60.743 38.064 33.397 1.00 53.25 O ATOM 625 OD2 ASP A 879 59.939 36.257 34.351 1.00 70.41 O ATOM 626 H ASP A 879 60.160 35.603 29.539 1.00 0.00 H ATOM 627 N LEU A 880 61.209 33.334 31.786 1.00 63.09 N ATOM 628 CA LEU A 880 61.556 32.077 32.438 1.00 70.48 C ATOM 629 C LEU A 880 63.026 31.731 32.223 1.00 63.43 C ATOM 630 O LEU A 880 63.701 31.253 33.135 1.00 63.43 O ATOM 631 CB LEU A 880 60.665 30.954 31.925 1.00 75.37 C ATOM 632 H LEU A 880 60.527 33.323 31.001 1.00 0.00 H ATOM 633 N VAL A 881 63.515 31.976 31.012 1.00 65.04 N ATOM 634 CA VAL A 881 64.908 31.699 30.675 1.00 65.19 C ATOM 635 C VAL A 881 65.835 32.679 31.390 1.00 64.23 C ATOM 636 O VAL A 881 66.926 32.310 31.832 1.00 65.31 O ATOM 637 CB VAL A 881 65.143 31.775 29.153 1.00 59.92 C ATOM 638 CG1 VAL A 881 66.600 31.495 28.816 1.00 58.19 C ATOM 639 CG2 VAL A 881 64.231 30.795 28.432 1.00 64.88 C ATOM 640 H VAL A 881 62.888 32.376 30.285 1.00 0.00 H ATOM 641 N LEU A 882 65.389 33.925 31.509 1.00 53.06 N ATOM 642 CA LEU A 882 66.157 34.951 32.204 1.00 49.17 C ATOM 643 C LEU A 882 66.307 34.598 33.681 1.00 63.27 C ATOM 644 O LEU A 882 67.365 34.813 34.276 1.00 62.62 O ATOM 645 CB LEU A 882 65.492 36.321 32.048 1.00 47.31 C ATOM 646 CG LEU A 882 65.286 36.815 30.614 1.00 47.00 C ATOM 647 CD1 LEU A 882 64.791 38.254 30.590 1.00 50.93 C ATOM 648 CD2 LEU A 882 66.560 36.672 29.802 1.00 45.38 C ATOM 649 H LEU A 882 64.468 34.175 31.096 1.00 0.00 H ATOM 650 N GLU A 883 65.245 34.051 34.265 1.00 61.75 N ATOM 651 CA GLU A 883 65.269 33.628 35.660 1.00 54.60 C ATOM 652 C GLU A 883 66.132 32.384 35.835 1.00 56.51 C ATOM 653 O GLU A 883 66.787 32.212 36.863 1.00 56.51 O ATOM 654 CB GLU A 883 63.850 33.359 36.169 1.00 58.15 C ATOM 655 CG GLU A 883 62.981 34.602 36.286 1.00 69.73 C ATOM 656 CD GLU A 883 63.458 35.547 37.370 1.00 73.24 C ATOM 657 OE1 GLU A 883 64.062 35.071 38.354 1.00 79.59 O ATOM 658 OE2 GLU A 883 63.231 36.769 37.237 1.00 71.38 O ATOM 659 H GLU A 883 64.374 33.921 33.712 1.00 0.00 H ATOM 660 N GLU A 884 66.126 31.520 34.824 1.00 62.71 N ATOM 661 CA GLU A 884 66.930 30.303 34.844 1.00 65.26 C ATOM 662 C GLU A 884 68.417 30.625 34.930 1.00 57.55 C ATOM 663 O GLU A 884 69.169 29.954 35.637 1.00 58.88 O ATOM 664 CB GLU A 884 66.650 29.456 33.600 1.00 63.51 C ATOM 665 CG GLU A 884 67.485 28.187 33.510 1.00 74.08 C ATOM 666 CD GLU A 884 67.308 27.468 32.186 1.00 78.79 C ATOM 667 OE1 GLU A 884 66.631 28.022 31.295 1.00 81.42 O ATOM 668 OE2 GLU A 884 67.848 26.352 32.036 1.00 81.95 O ATOM 669 H GLU A 884 65.531 31.718 33.995 1.00 0.00 H ATOM 670 N PHE A 885 68.834 31.662 34.209 1.00 44.31 N ATOM 671 CA PHE A 885 70.238 32.051 34.171 1.00 44.39 C ATOM 672 C PHE A 885 70.530 33.213 35.119 1.00 43.02 C ATOM 673 O PHE A 885 71.605 33.811 35.060 1.00 41.77 O ATOM 674 CB PHE A 885 70.651 32.412 32.741 1.00 39.56 C ATOM 675 CG PHE A 885 70.757 31.224 31.822 1.00 47.91 C ATOM 676 CD1 PHE A 885 69.631 30.707 31.202 1.00 47.30 C ATOM 677 CD2 PHE A 885 71.983 30.624 31.582 1.00 46.92 C ATOM 678 CE1 PHE A 885 69.725 29.614 30.359 1.00 51.95 C ATOM 679 CE2 PHE A 885 72.083 29.530 30.740 1.00 47.22 C ATOM 680 CZ PHE A 885 70.953 29.025 30.128 1.00 48.86 C ATOM 681 H PHE A 885 68.141 32.209 33.659 1.00 0.00 H ATOM 682 N SER A 886 69.566 33.521 35.986 1.00 37.72 N ATOM 683 CA SER A 886 69.724 34.536 37.032 1.00 37.99 C ATOM 684 C SER A 886 70.179 35.888 36.480 1.00 37.93 C ATOM 685 O SER A 886 71.059 36.537 37.043 1.00 40.30 O ATOM 686 CB SER A 886 70.713 34.046 38.094 1.00 39.75 C ATOM 687 OG SER A 886 70.460 32.694 38.441 1.00 41.96 O ATOM 688 HG SER A 886 71.112 32.403 39.127 1.00 0.00 H ATOM 689 H SER A 886 68.659 33.017 35.917 1.00 0.00 H ATOM 690 N ILE A 887 69.558 36.309 35.384 1.00 37.25 N ATOM 691 CA ILE A 887 69.971 37.512 34.670 1.00 34.45 C ATOM 692 C ILE A 887 69.649 38.795 35.432 1.00 37.30 C ATOM 693 O ILE A 887 68.572 38.936 36.010 1.00 43.32 O ATOM 694 CB ILE A 887 69.311 37.568 33.279 1.00 32.91 C ATOM 695 CG1 ILE A 887 69.771 36.376 32.441 1.00 34.31 C ATOM 696 CG2 ILE A 887 69.641 38.869 32.568 1.00 31.34 C ATOM 697 CD1 ILE A 887 71.277 36.280 32.301 1.00 32.83 C ATOM 698 H ILE A 887 68.750 35.763 35.023 1.00 0.00 H ATOM 699 N ASP A 888 70.600 39.725 35.431 1.00 35.58 N ATOM 700 CA ASP A 888 70.406 41.023 36.061 1.00 32.61 C ATOM 701 C ASP A 888 70.065 42.098 35.030 1.00 34.85 C ATOM 702 O ASP A 888 69.266 42.994 35.300 1.00 37.41 O ATOM 703 CB ASP A 888 71.657 41.428 36.846 1.00 29.19 C ATOM 704 CG ASP A 888 71.974 40.469 37.978 1.00 30.31 C ATOM 705 OD1 ASP A 888 71.078 40.209 38.808 1.00 39.69 O ATOM 706 OD2 ASP A 888 73.121 39.976 38.038 1.00 31.17 O ATOM 707 H ASP A 888 71.508 39.519 34.967 1.00 0.00 H ATOM 708 N ILE A 889 70.671 42.002 33.848 1.00 36.55 N ATOM 709 CA ILE A 889 70.537 43.037 32.823 1.00 32.64 C ATOM 710 C ILE A 889 70.209 42.447 31.452 1.00 30.82 C ATOM 711 O ILE A 889 70.803 41.454 31.038 1.00 28.60 O ATOM 712 CB ILE A 889 71.830 43.877 32.715 1.00 25.86 C ATOM 713 CG1 ILE A 889 72.099 44.612 34.027 1.00 25.39 C ATOM 714 CG2 ILE A 889 71.745 44.875 31.567 1.00 25.98 C ATOM 715 CD1 ILE A 889 73.430 45.314 34.062 1.00 29.75 C ATOM 716 H ILE A 889 71.257 41.166 33.648 1.00 0.00 H ATOM 717 N VAL A 890 69.262 43.061 30.748 1.00 30.36 N ATOM 718 CA VAL A 890 68.893 42.606 29.411 1.00 33.75 C ATOM 719 C VAL A 890 69.318 43.606 28.335 1.00 36.36 C ATOM 720 O VAL A 890 69.036 44.800 28.433 1.00 34.83 O ATOM 721 CB VAL A 890 67.376 42.358 29.305 1.00 37.00 C ATOM 722 CG1 VAL A 890 66.994 41.953 27.888 1.00 35.03 C ATOM 723 CG2 VAL A 890 66.946 41.296 30.305 1.00 33.55 C ATOM 724 H VAL A 890 68.774 43.883 31.159 1.00 0.00 H ATOM 725 N CYS A 891 70.005 43.114 27.310 1.00 35.92 N ATOM 726 CA CYS A 891 70.398 43.952 26.184 1.00 32.54 C ATOM 727 C CYS A 891 69.656 43.555 24.916 1.00 36.32 C ATOM 728 O CYS A 891 69.696 42.398 24.497 1.00 36.87 O ATOM 729 CB CYS A 891 71.908 43.875 25.952 1.00 30.67 C ATOM 730 SG CYS A 891 72.892 44.733 27.196 1.00 32.09 S ATOM 731 H CYS A 891 70.268 42.108 27.311 1.00 0.00 H ATOM 732 N LEU A 892 68.970 44.519 24.312 1.00 38.72 N ATOM 733 CA LEU A 892 68.302 44.292 23.039 1.00 41.67 C ATOM 734 C LEU A 892 69.246 44.630 21.893 1.00 38.90 C ATOM 735 O LEU A 892 69.524 45.800 21.628 1.00 38.38 O ATOM 736 CB LEU A 892 67.019 45.121 22.939 1.00 39.30 C ATOM 737 CG LEU A 892 65.965 44.915 24.029 1.00 39.30 C ATOM 738 CD1 LEU A 892 64.684 45.652 23.671 1.00 42.10 C ATOM 739 CD2 LEU A 892 65.691 43.435 24.249 1.00 40.27 C ATOM 740 H LEU A 892 68.909 45.456 24.758 1.00 0.00 H ATOM 741 N ALA A 893 69.745 43.597 21.223 1.00 40.45 N ATOM 742 CA ALA A 893 70.677 43.777 20.118 1.00 41.64 C ATOM 743 C ALA A 893 70.032 43.367 18.801 1.00 51.67 C ATOM 744 O ALA A 893 70.261 42.265 18.303 1.00 57.11 O ATOM 745 CB ALA A 893 71.948 42.980 20.361 1.00 40.65 C ATOM 746 H ALA A 893 69.463 42.634 21.495 1.00 0.00 H ATOM 747 N GLY A 894 69.223 44.260 18.243 1.00 52.68 N ATOM 748 CA GLY A 894 68.514 43.977 17.010 1.00 51.19 C ATOM 749 C GLY A 894 67.303 43.097 17.247 1.00 56.64 C ATOM 750 O GLY A 894 66.900 42.334 16.372 1.00 62.53 O ATOM 751 H GLY A 894 69.095 45.185 18.701 1.00 0.00 H ATOM 752 N PHE A 895 66.725 43.204 18.440 1.00 52.98 N ATOM 753 CA PHE A 895 65.531 42.444 18.793 1.00 55.06 C ATOM 754 C PHE A 895 64.291 43.205 18.336 1.00 58.40 C ATOM 755 O PHE A 895 64.038 44.321 18.790 1.00 58.52 O ATOM 756 CB PHE A 895 65.493 42.183 20.300 1.00 51.36 C ATOM 757 CG PHE A 895 64.402 41.246 20.730 1.00 54.07 C ATOM 758 CD1 PHE A 895 64.542 39.878 20.564 1.00 54.11 C ATOM 759 CD2 PHE A 895 63.247 41.730 21.319 1.00 56.60 C ATOM 760 CE1 PHE A 895 63.544 39.010 20.964 1.00 55.72 C ATOM 761 CE2 PHE A 895 62.246 40.867 21.724 1.00 58.17 C ATOM 762 CZ PHE A 895 62.394 39.506 21.545 1.00 58.39 C ATOM 763 H PHE A 895 67.137 43.850 19.143 1.00 0.00 H ATOM 764 N MET A 896 63.519 42.599 17.438 1.00 62.06 N ATOM 765 CA MET A 896 62.479 43.326 16.716 1.00 68.32 C ATOM 766 C MET A 896 61.065 43.143 17.263 1.00 74.02 C ATOM 767 O MET A 896 60.101 43.596 16.648 1.00 82.77 O ATOM 768 CB MET A 896 62.498 42.923 15.239 1.00 72.51 C ATOM 769 CG MET A 896 63.733 43.390 14.488 1.00 71.22 C ATOM 770 SD MET A 896 64.001 45.164 14.661 1.00101.51 S ATOM 771 CE MET A 896 65.720 45.300 14.176 1.00 85.38 C ATOM 772 H MET A 896 63.659 41.586 17.246 1.00 0.00 H ATOM 773 N ARG A 897 60.933 42.488 18.411 1.00 67.73 N ATOM 774 CA ARG A 897 59.615 42.307 19.010 1.00 68.33 C ATOM 775 C ARG A 897 59.320 43.358 20.075 1.00 65.97 C ATOM 776 O ARG A 897 60.139 43.607 20.961 1.00 66.50 O ATOM 777 CB ARG A 897 59.481 40.907 19.616 1.00 67.53 C ATOM 778 CG ARG A 897 59.405 39.785 18.593 1.00 68.83 C ATOM 779 CD ARG A 897 58.369 40.083 17.520 1.00 73.28 C ATOM 780 NE ARG A 897 57.063 40.403 18.089 1.00 74.86 N ATOM 781 CZ ARG A 897 56.007 40.769 17.370 1.00 81.20 C ATOM 782 NH1 ARG A 897 54.857 41.045 17.970 1.00 87.15 N ATOM 783 NH2 ARG A 897 56.100 40.860 16.050 1.00 81.63 N ATOM 784 HE ARG A 897 56.952 40.341 19.121 1.00 0.00 H ATOM 785 HH12 ARG A 897 54.032 41.331 17.406 1.00 0.00 H ATOM 786 HH11 ARG A 897 54.780 40.975 19.005 1.00 0.00 H ATOM 787 HH22 ARG A 897 55.273 41.147 15.489 1.00 0.00 H ATOM 788 HH21 ARG A 897 57.000 40.645 15.576 1.00 0.00 H ATOM 789 H ARG A 897 61.774 42.102 18.886 1.00 0.00 H ATOM 790 N ILE A 898 58.149 43.979 19.976 1.00 65.51 N ATOM 791 CA ILE A 898 57.678 44.877 21.021 1.00 59.34 C ATOM 792 C ILE A 898 57.338 44.060 22.259 1.00 61.49 C ATOM 793 O ILE A 898 56.542 43.122 22.196 1.00 67.92 O ATOM 794 CB ILE A 898 56.443 45.688 20.579 1.00 62.20 C ATOM 795 CG1 ILE A 898 56.857 46.834 19.655 1.00 63.46 C ATOM 796 CG2 ILE A 898 55.714 46.251 21.789 1.00 60.91 C ATOM 797 CD1 ILE A 898 55.713 47.753 19.274 1.00 64.83 C ATOM 798 H ILE A 898 57.557 43.820 19.135 1.00 0.00 H ATOM 799 N LEU A 899 57.953 44.410 23.382 1.00 57.45 N ATOM 800 CA LEU A 899 57.736 43.678 24.621 1.00 53.96 C ATOM 801 C LEU A 899 56.529 44.226 25.368 1.00 64.03 C ATOM 802 O LEU A 899 56.292 45.434 25.384 1.00 61.76 O ATOM 803 CB LEU A 899 58.984 43.737 25.499 1.00 49.90 C ATOM 804 CG LEU A 899 60.213 43.094 24.856 1.00 53.16 C ATOM 805 CD1 LEU A 899 61.492 43.502 25.574 1.00 50.28 C ATOM 806 CD2 LEU A 899 60.062 41.579 24.817 1.00 53.23 C ATOM 807 H LEU A 899 58.602 45.223 23.376 1.00 0.00 H ATOM 808 N SER A 900 55.771 43.327 25.987 1.00 64.15 N ATOM 809 CA SER A 900 54.532 43.692 26.665 1.00 68.12 C ATOM 810 C SER A 900 54.766 44.616 27.856 1.00 65.81 C ATOM 811 O SER A 900 55.899 44.816 28.292 1.00 64.18 O ATOM 812 CB SER A 900 53.792 42.432 27.124 1.00 72.61 C ATOM 813 OG SER A 900 54.459 41.814 28.213 1.00 70.46 O ATOM 814 HG SER A 900 55.375 41.560 27.936 1.00 0.00 H ATOM 815 H SER A 900 56.071 42.331 25.988 1.00 0.00 H ATOM 816 N GLY A 901 53.676 45.178 28.368 1.00 66.12 N ATOM 817 CA GLY A 901 53.714 46.040 29.537 1.00 65.13 C ATOM 818 C GLY A 901 54.412 45.464 30.758 1.00 65.49 C ATOM 819 O GLY A 901 55.396 46.036 31.228 1.00 67.02 O ATOM 820 H GLY A 901 52.759 44.993 27.914 1.00 0.00 H ATOM 821 N PRO A 902 53.906 44.335 31.287 1.00 64.76 N ATOM 822 CA PRO A 902 54.474 43.734 32.501 1.00 60.47 C ATOM 823 C PRO A 902 55.946 43.335 32.376 1.00 56.88 C ATOM 824 O PRO A 902 56.691 43.490 33.343 1.00 56.39 O ATOM 825 CB PRO A 902 53.595 42.494 32.722 1.00 59.72 C ATOM 826 CG PRO A 902 52.972 42.219 31.391 1.00 59.82 C ATOM 827 CD PRO A 902 52.744 43.571 30.803 1.00 68.61 C ATOM 828 N PHE A 903 56.354 42.828 31.216 1.00 61.37 N ATOM 829 CA PHE A 903 57.746 42.436 31.013 1.00 48.18 C ATOM 830 C PHE A 903 58.661 43.652 31.096 1.00 53.57 C ATOM 831 O PHE A 903 59.696 43.619 31.763 1.00 49.72 O ATOM 832 CB PHE A 903 57.927 41.724 29.666 1.00 49.59 C ATOM 833 CG PHE A 903 59.334 41.249 29.413 1.00 50.09 C ATOM 834 CD1 PHE A 903 60.264 42.077 28.804 1.00 51.06 C ATOM 835 CD2 PHE A 903 59.728 39.977 29.795 1.00 47.80 C ATOM 836 CE1 PHE A 903 61.557 41.645 28.578 1.00 43.30 C ATOM 837 CE2 PHE A 903 61.022 39.539 29.570 1.00 53.39 C ATOM 838 CZ PHE A 903 61.936 40.374 28.960 1.00 43.70 C ATOM 839 H PHE A 903 55.671 42.709 30.441 1.00 0.00 H ATOM 840 N VAL A 904 58.271 44.720 30.409 1.00 53.15 N ATOM 841 CA VAL A 904 59.036 45.960 30.402 1.00 53.30 C ATOM 842 C VAL A 904 59.093 46.557 31.806 1.00 55.11 C ATOM 843 O VAL A 904 60.117 47.104 32.221 1.00 53.65 O ATOM 844 CB VAL A 904 58.430 46.984 29.413 1.00 52.40 C ATOM 845 CG1 VAL A 904 59.043 48.363 29.606 1.00 42.64 C ATOM 846 CG2 VAL A 904 58.615 46.509 27.980 1.00 45.50 C ATOM 847 H VAL A 904 57.390 44.669 29.858 1.00 0.00 H ATOM 848 N GLN A 905 57.998 46.423 32.545 1.00 59.94 N ATOM 849 CA GLN A 905 57.918 46.975 33.893 1.00 67.23 C ATOM 850 C GLN A 905 58.772 46.192 34.889 1.00 59.60 C ATOM 851 O GLN A 905 59.371 46.776 35.792 1.00 60.78 O ATOM 852 CB GLN A 905 56.467 47.014 34.370 1.00 76.28 C ATOM 853 CG GLN A 905 56.227 47.995 35.504 1.00 81.85 C ATOM 854 CD GLN A 905 56.757 49.382 35.190 1.00 83.77 C ATOM 855 OE1 GLN A 905 56.180 50.111 34.383 1.00 85.60 O ATOM 856 NE2 GLN A 905 57.862 49.753 35.828 1.00 83.45 N ATOM 857 HE22 GLN A 905 58.316 49.104 36.502 1.00 0.00 H ATOM 858 HE21 GLN A 905 58.273 50.692 35.653 1.00 0.00 H ATOM 859 H GLN A 905 57.180 45.914 32.154 1.00 0.00 H ATOM 860 N LYS A 906 58.820 44.872 34.729 1.00 55.90 N ATOM 861 CA LYS A 906 59.641 44.037 35.600 1.00 53.43 C ATOM 862 C LYS A 906 61.121 44.342 35.411 1.00 49.62 C ATOM 863 O LYS A 906 61.870 44.470 36.379 1.00 53.22 O ATOM 864 CB LYS A 906 59.388 42.550 35.339 1.00 43.30 C ATOM 865 CG LYS A 906 60.318 41.640 36.129 1.00 49.40 C ATOM 866 CD LYS A 906 60.143 40.178 35.761 1.00 52.28 C ATOM 867 CE LYS A 906 61.216 39.322 36.422 1.00 51.08 C ATOM 868 NZ LYS A 906 60.986 37.868 36.204 1.00 56.44 N ATOM 869 HZ1 LYS A 906 60.065 37.600 36.605 1.00 0.00 H ATOM 870 HZ2 LYS A 906 60.993 37.666 35.184 1.00 0.00 H ATOM 871 HZ3 LYS A 906 61.740 37.325 36.671 1.00 0.00 H ATOM 872 H LYS A 906 58.263 44.428 33.971 1.00 0.00 H ATOM 873 N TRP A 907 61.533 44.459 34.154 1.00 55.61 N ATOM 874 CA TRP A 907 62.932 44.696 33.828 1.00 52.81 C ATOM 875 C TRP A 907 63.208 46.178 33.608 1.00 44.89 C ATOM 876 O TRP A 907 64.173 46.546 32.938 1.00 50.74 O ATOM 877 CB TRP A 907 63.329 43.895 32.590 1.00 46.68 C ATOM 878 CG TRP A 907 63.311 42.420 32.825 1.00 49.43 C ATOM 879 CD1 TRP A 907 62.292 41.557 32.547 1.00 52.08 C ATOM 880 CD2 TRP A 907 64.358 41.633 33.402 1.00 53.04 C ATOM 881 NE1 TRP A 907 62.642 40.280 32.908 1.00 54.55 N ATOM 882 CE2 TRP A 907 63.907 40.299 33.437 1.00 53.57 C ATOM 883 CE3 TRP A 907 65.635 41.925 33.889 1.00 49.43 C ATOM 884 CZ2 TRP A 907 64.685 39.260 33.941 1.00 61.49 C ATOM 885 CZ3 TRP A 907 66.408 40.893 34.388 1.00 55.69 C ATOM 886 CH2 TRP A 907 65.931 39.576 34.409 1.00 59.72 C ATOM 887 HE1 TRP A 907 62.045 39.435 32.798 1.00 0.00 H ATOM 888 H TRP A 907 60.839 44.379 33.383 1.00 0.00 H ATOM 889 N ASN A 908 62.354 47.020 34.180 1.00 46.66 N ATOM 890 CA ASN A 908 62.518 48.465 34.094 1.00 44.35 C ATOM 891 C ASN A 908 63.808 48.926 34.759 1.00 43.50 C ATOM 892 O ASN A 908 64.062 48.615 35.922 1.00 49.30 O ATOM 893 CB ASN A 908 61.323 49.174 34.731 1.00 50.55 C ATOM 894 CG ASN A 908 61.472 50.680 34.726 1.00 50.67 C ATOM 895 OD1 ASN A 908 61.463 51.312 33.670 1.00 50.77 O ATOM 896 ND2 ASN A 908 61.617 51.264 35.909 1.00 52.28 N ATOM 897 HD22 ASN A 908 61.619 50.689 36.776 1.00 0.00 H ATOM 898 HD21 ASN A 908 61.729 52.296 35.969 1.00 0.00 H ATOM 899 H ASN A 908 61.543 46.635 34.706 1.00 0.00 H ATOM 900 N GLY A 909 64.622 49.667 34.013 1.00 41.04 N ATOM 901 CA GLY A 909 65.893 50.147 34.521 1.00 40.64 C ATOM 902 C GLY A 909 66.969 49.079 34.482 1.00 40.59 C ATOM 903 O GLY A 909 68.064 49.267 35.013 1.00 41.08 O ATOM 904 H GLY A 909 64.340 49.908 33.041 1.00 0.00 H ATOM 905 N LYS A 910 66.653 47.952 33.852 1.00 40.57 N ATOM 906 CA LYS A 910 67.592 46.844 33.738 1.00 47.42 C ATOM 907 C LYS A 910 67.680 46.340 32.300 1.00 45.17 C ATOM 908 O LYS A 910 68.329 45.330 32.027 1.00 40.67 O ATOM 909 CB LYS A 910 67.186 45.698 34.669 1.00 43.95 C ATOM 910 CG LYS A 910 67.190 46.060 36.146 1.00 54.62 C ATOM 911 CD LYS A 910 68.570 46.499 36.605 1.00 59.95 C ATOM 912 CE LYS A 910 68.589 46.780 38.099 1.00 65.89 C ATOM 913 NZ LYS A 910 69.910 47.297 38.549 1.00 66.49 N ATOM 914 HZ1 LYS A 910 70.646 46.593 38.340 1.00 0.00 H ATOM 915 HZ2 LYS A 910 70.123 48.183 38.047 1.00 0.00 H ATOM 916 HZ3 LYS A 910 69.880 47.476 39.573 1.00 0.00 H ATOM 917 H LYS A 910 65.708 47.858 33.428 1.00 0.00 H ATOM 918 N MET A 911 67.027 47.045 31.382 1.00 39.57 N ATOM 919 CA MET A 911 67.007 46.630 29.984 1.00 38.37 C ATOM 920 C MET A 911 67.459 47.757 29.057 1.00 39.65 C ATOM 921 O MET A 911 66.924 48.864 29.103 1.00 33.53 O ATOM 922 CB MET A 911 65.609 46.144 29.596 1.00 38.78 C ATOM 923 CG MET A 911 65.514 45.574 28.191 1.00 39.30 C ATOM 924 SD MET A 911 64.074 44.510 27.973 1.00 50.11 S ATOM 925 CE MET A 911 62.809 45.468 28.801 1.00 41.74 C ATOM 926 H MET A 911 66.521 47.908 31.666 1.00 0.00 H ATOM 927 N LEU A 912 68.446 47.463 28.215 1.00 38.89 N ATOM 928 CA LEU A 912 69.043 48.469 27.340 1.00 34.89 C ATOM 929 C LEU A 912 68.741 48.192 25.869 1.00 33.78 C ATOM 930 O LEU A 912 68.504 47.050 25.478 1.00 35.67 O ATOM 931 CB LEU A 912 70.561 48.539 27.552 1.00 31.77 C ATOM 932 CG LEU A 912 71.139 49.167 28.827 1.00 39.08 C ATOM 933 CD1 LEU A 912 70.842 48.346 30.080 1.00 34.71 C ATOM 934 CD2 LEU A 912 72.641 49.393 28.674 1.00 36.55 C ATOM 935 H LEU A 912 68.804 46.487 28.179 1.00 0.00 H ATOM 936 N ASN A 913 68.756 49.246 25.058 1.00 33.23 N ATOM 937 CA ASN A 913 68.516 49.115 23.625 1.00 32.09 C ATOM 938 C ASN A 913 69.324 50.115 22.808 1.00 34.48 C ATOM 939 O ASN A 913 69.497 51.265 23.210 1.00 32.17 O ATOM 940 CB ASN A 913 67.028 49.287 23.311 1.00 29.33 C ATOM 941 CG ASN A 913 66.737 49.243 21.821 1.00 33.86 C ATOM 942 OD1 ASN A 913 66.805 48.186 21.194 1.00 39.62 O ATOM 943 ND2 ASN A 913 66.414 50.397 21.247 1.00 35.66 N ATOM 944 HD22 ASN A 913 66.369 51.266 21.816 1.00 0.00 H ATOM 945 HD21 ASN A 913 66.207 50.431 20.228 1.00 0.00 H ATOM 946 H ASN A 913 68.944 50.188 25.456 1.00 0.00 H ATOM 947 N ILE A 914 69.812 49.670 21.656 1.00 39.92 N ATOM 948 CA ILE A 914 70.516 50.551 20.736 1.00 36.73 C ATOM 949 C ILE A 914 69.583 50.993 19.605 1.00 38.86 C ATOM 950 O ILE A 914 68.850 50.186 19.031 1.00 41.48 O ATOM 951 CB ILE A 914 71.784 49.869 20.164 1.00 33.95 C ATOM 952 CG1 ILE A 914 72.553 50.826 19.249 1.00 34.35 C ATOM 953 CG2 ILE A 914 71.440 48.562 19.461 1.00 37.32 C ATOM 954 CD1 ILE A 914 73.516 51.725 19.983 1.00 24.58 C ATOM 955 H ILE A 914 69.688 48.668 21.405 1.00 0.00 H ATOM 956 N HIS A 915 69.591 52.288 19.311 1.00 38.81 N ATOM 957 CA HIS A 915 68.762 52.828 18.242 1.00 34.35 C ATOM 958 C HIS A 915 69.607 53.695 17.320 1.00 28.50 C ATOM 959 O HIS A 915 70.311 54.589 17.783 1.00 28.47 O ATOM 960 CB HIS A 915 67.594 53.633 18.812 1.00 22.85 C ATOM 961 CG HIS A 915 66.616 54.090 17.776 1.00 25.87 C ATOM 962 ND1 HIS A 915 65.725 53.233 17.167 1.00 30.87 N ATOM 963 CD2 HIS A 915 66.395 55.311 17.234 1.00 25.76 C ATOM 964 CE1 HIS A 915 64.995 53.907 16.297 1.00 33.24 C ATOM 965 NE2 HIS A 915 65.381 55.169 16.318 1.00 28.34 N ATOM 966 H HIS A 915 70.202 52.930 19.855 1.00 0.00 H ATOM 967 N PRO A 916 69.534 53.433 16.006 1.00 28.71 N ATOM 968 CA PRO A 916 70.392 54.078 15.006 1.00 25.17 C ATOM 969 C PRO A 916 69.984 55.511 14.662 1.00 27.10 C ATOM 970 O PRO A 916 69.917 55.863 13.484 1.00 24.23 O ATOM 971 CB PRO A 916 70.235 53.169 13.787 1.00 25.97 C ATOM 972 CG PRO A 916 68.849 52.647 13.912 1.00 24.43 C ATOM 973 CD PRO A 916 68.610 52.464 15.390 1.00 27.86 C ATOM 974 N SER A 917 69.723 56.327 15.677 1.00 29.94 N ATOM 975 CA SER A 917 69.470 57.747 15.465 1.00 28.99 C ATOM 976 C SER A 917 69.791 58.527 16.731 1.00 26.83 C ATOM 977 O SER A 917 69.953 57.944 17.802 1.00 28.09 O ATOM 978 CB SER A 917 68.018 57.994 15.051 1.00 19.53 C ATOM 979 OG SER A 917 67.163 58.026 16.178 1.00 25.14 O ATOM 980 HG SER A 917 66.233 58.187 15.880 1.00 0.00 H ATOM 981 H SER A 917 69.699 55.945 16.644 1.00 0.00 H ATOM 982 N LEU A 918 69.893 59.846 16.607 1.00 27.14 N ATOM 983 CA LEU A 918 70.021 60.696 17.783 1.00 18.33 C ATOM 984 C LEU A 918 68.634 61.050 18.303 1.00 28.23 C ATOM 985 O LEU A 918 68.048 62.055 17.899 1.00 30.30 O ATOM 986 CB LEU A 918 70.820 61.962 17.467 1.00 22.44 C ATOM 987 CG LEU A 918 72.319 61.778 17.216 1.00 22.47 C ATOM 988 CD1 LEU A 918 72.957 63.102 16.831 1.00 18.20 C ATOM 989 CD2 LEU A 918 73.018 61.175 18.432 1.00 18.60 C ATOM 990 H LEU A 918 69.881 60.276 15.660 1.00 0.00 H ATOM 991 N LEU A 919 68.112 60.205 19.189 1.00 24.49 N ATOM 992 CA LEU A 919 66.798 60.415 19.789 1.00 25.53 C ATOM 993 C LEU A 919 66.726 61.788 20.449 1.00 25.05 C ATOM 994 O LEU A 919 67.729 62.278 20.967 1.00 29.70 O ATOM 995 CB LEU A 919 66.493 59.313 20.806 1.00 22.36 C ATOM 996 CG LEU A 919 66.253 57.919 20.224 1.00 28.72 C ATOM 997 CD1 LEU A 919 66.008 56.910 21.335 1.00 27.68 C ATOM 998 CD2 LEU A 919 65.093 57.935 19.240 1.00 23.27 C ATOM 999 H LEU A 919 68.660 59.365 19.464 1.00 0.00 H ATOM 1000 N PRO A 920 65.537 62.412 20.450 1.00 26.58 N ATOM 1001 CA PRO A 920 64.236 61.892 20.011 1.00 30.57 C ATOM 1002 C PRO A 920 63.989 61.954 18.503 1.00 29.36 C ATOM 1003 O PRO A 920 62.849 61.773 18.074 1.00 28.52 O ATOM 1004 CB PRO A 920 63.251 62.802 20.741 1.00 28.62 C ATOM 1005 CG PRO A 920 63.959 64.109 20.788 1.00 28.60 C ATOM 1006 CD PRO A 920 65.418 63.777 20.992 1.00 27.16 C ATOM 1007 N SER A 921 65.025 62.205 17.712 1.00 28.67 N ATOM 1008 CA SER A 921 64.857 62.250 16.265 1.00 27.93 C ATOM 1009 C SER A 921 64.743 60.853 15.667 1.00 26.87 C ATOM 1010 O SER A 921 65.471 59.938 16.056 1.00 23.12 O ATOM 1011 CB SER A 921 66.016 62.998 15.605 1.00 24.08 C ATOM 1012 OG SER A 921 65.961 64.382 15.893 1.00 28.75 O ATOM 1013 HG SER A 921 66.721 64.840 15.454 1.00 0.00 H ATOM 1014 H SER A 921 65.964 62.371 18.128 1.00 0.00 H ATOM 1015 N PHE A 922 63.812 60.705 14.730 1.00 29.83 N ATOM 1016 CA PHE A 922 63.694 59.503 13.910 1.00 25.04 C ATOM 1017 C PHE A 922 63.448 58.232 14.718 1.00 35.02 C ATOM 1018 O PHE A 922 64.209 57.269 14.625 1.00 34.91 O ATOM 1019 CB PHE A 922 64.950 59.340 13.052 1.00 23.19 C ATOM 1020 CG PHE A 922 65.321 60.579 12.292 1.00 30.69 C ATOM 1021 CD1 PHE A 922 64.351 61.317 11.634 1.00 31.55 C ATOM 1022 CD2 PHE A 922 66.634 61.021 12.252 1.00 24.54 C ATOM 1023 CE1 PHE A 922 64.683 62.463 10.939 1.00 24.03 C ATOM 1024 CE2 PHE A 922 66.972 62.167 11.559 1.00 20.37 C ATOM 1025 CZ PHE A 922 65.994 62.889 10.901 1.00 28.32 C ATOM 1026 H PHE A 922 63.137 61.481 14.574 1.00 0.00 H ATOM 1027 N LYS A 923 62.382 58.234 15.511 1.00 34.69 N ATOM 1028 CA LYS A 923 61.930 57.018 16.171 1.00 36.88 C ATOM 1029 C LYS A 923 61.328 56.087 15.127 1.00 40.16 C ATOM 1030 O LYS A 923 60.750 56.547 14.143 1.00 46.23 O ATOM 1031 CB LYS A 923 60.900 57.335 17.257 1.00 42.30 C ATOM 1032 CG LYS A 923 61.370 58.327 18.306 1.00 46.28 C ATOM 1033 CD LYS A 923 60.316 58.506 19.389 1.00 53.43 C ATOM 1034 CE LYS A 923 60.770 59.481 20.462 1.00 54.95 C ATOM 1035 NZ LYS A 923 59.845 59.488 21.630 1.00 58.84 N ATOM 1036 HZ1 LYS A 923 58.894 59.767 21.316 1.00 0.00 H ATOM 1037 HZ2 LYS A 923 59.808 58.536 22.047 1.00 0.00 H ATOM 1038 HZ3 LYS A 923 60.190 60.166 22.340 1.00 0.00 H ATOM 1039 H LYS A 923 61.861 59.121 15.663 1.00 0.00 H ATOM 1040 N GLY A 924 61.467 54.781 15.327 1.00 39.86 N ATOM 1041 CA GLY A 924 60.851 53.828 14.424 1.00 43.82 C ATOM 1042 C GLY A 924 61.789 52.805 13.814 1.00 45.43 C ATOM 1043 O GLY A 924 62.933 52.651 14.243 1.00 45.42 O ATOM 1044 H GLY A 924 62.022 54.439 16.138 1.00 0.00 H ATOM 1045 N SER A 925 61.295 52.113 12.791 1.00 51.79 N ATOM 1046 CA SER A 925 61.987 50.963 12.220 1.00 57.18 C ATOM 1047 C SER A 925 63.013 51.324 11.148 1.00 56.83 C ATOM 1048 O SER A 925 63.917 50.538 10.864 1.00 51.11 O ATOM 1049 CB SER A 925 60.964 49.985 11.636 1.00 61.34 C ATOM 1050 OG SER A 925 60.011 50.666 10.839 1.00 62.15 O ATOM 1051 HG SER A 925 59.362 50.014 10.473 1.00 0.00 H ATOM 1052 H SER A 925 60.383 52.402 12.384 1.00 0.00 H ATOM 1053 N ASN A 926 62.877 52.503 10.549 1.00 35.35 N ATOM 1054 CA ASN A 926 63.783 52.910 9.477 1.00 34.26 C ATOM 1055 C ASN A 926 64.391 54.292 9.706 1.00 37.50 C ATOM 1056 O ASN A 926 64.153 55.220 8.931 1.00 30.91 O ATOM 1057 CB ASN A 926 63.053 52.878 8.132 1.00 52.38 C ATOM 1058 CG ASN A 926 61.699 53.556 8.189 1.00 61.48 C ATOM 1059 OD1 ASN A 926 61.182 53.848 9.268 1.00 69.87 O ATOM 1060 ND2 ASN A 926 61.115 53.808 7.023 1.00 64.37 N ATOM 1061 HD22 ASN A 926 61.589 53.544 6.136 1.00 0.00 H ATOM 1062 HD21 ASN A 926 60.184 54.270 6.997 1.00 0.00 H ATOM 1063 H ASN A 926 62.115 53.145 10.848 1.00 0.00 H ATOM 1064 N ALA A 927 65.188 54.411 10.765 1.00 28.30 N ATOM 1065 CA ALA A 927 65.788 55.684 11.158 1.00 30.43 C ATOM 1066 C ALA A 927 66.689 56.265 10.071 1.00 29.99 C ATOM 1067 O ALA A 927 66.646 57.465 9.799 1.00 32.17 O ATOM 1068 CB ALA A 927 66.571 55.516 12.454 1.00 28.94 C ATOM 1069 H ALA A 927 65.392 53.565 11.335 1.00 0.00 H ATOM 1070 N HIS A 928 67.504 55.413 9.456 1.00 30.32 N ATOM 1071 CA HIS A 928 68.407 55.849 8.397 1.00 28.06 C ATOM 1072 C HIS A 928 67.632 56.409 7.207 1.00 31.78 C ATOM 1073 O HIS A 928 68.002 57.442 6.648 1.00 34.35 O ATOM 1074 CB HIS A 928 69.307 54.696 7.944 1.00 30.84 C ATOM 1075 CG HIS A 928 70.206 54.173 9.023 1.00 29.26 C ATOM 1076 ND1 HIS A 928 70.975 54.997 9.812 1.00 29.34 N ATOM 1077 CD2 HIS A 928 70.457 52.908 9.437 1.00 29.11 C ATOM 1078 CE1 HIS A 928 71.664 54.263 10.671 1.00 32.18 C ATOM 1079 NE2 HIS A 928 71.367 52.995 10.464 1.00 31.95 N ATOM 1080 H HIS A 928 67.497 54.412 9.737 1.00 0.00 H ATOM 1081 N GLU A 929 66.553 55.727 6.832 1.00 34.97 N ATOM 1082 CA GLU A 929 65.696 56.181 5.742 1.00 36.79 C ATOM 1083 C GLU A 929 65.085 57.540 6.061 1.00 35.51 C ATOM 1084 O GLU A 929 64.999 58.412 5.197 1.00 30.51 O ATOM 1085 CB GLU A 929 64.590 55.163 5.465 1.00 40.77 C ATOM 1086 CG GLU A 929 65.085 53.848 4.894 1.00 44.38 C ATOM 1087 CD GLU A 929 63.960 52.997 4.342 1.00 51.13 C ATOM 1088 OE1 GLU A 929 62.783 53.374 4.524 1.00 53.00 O ATOM 1089 OE2 GLU A 929 64.253 51.950 3.725 1.00 53.89 O ATOM 1090 H GLU A 929 66.314 54.846 7.330 1.00 0.00 H ATOM 1091 N GLN A 930 64.664 57.711 7.309 1.00 29.09 N ATOM 1092 CA GLN A 930 64.097 58.974 7.763 1.00 38.54 C ATOM 1093 C GLN A 930 65.144 60.081 7.751 1.00 33.85 C ATOM 1094 O GLN A 930 64.867 61.208 7.339 1.00 37.07 O ATOM 1095 CB GLN A 930 63.514 58.827 9.169 1.00 28.43 C ATOM 1096 CG GLN A 930 62.339 57.873 9.264 1.00 31.50 C ATOM 1097 CD GLN A 930 61.825 57.734 10.682 1.00 36.14 C ATOM 1098 OE1 GLN A 930 61.464 58.722 11.322 1.00 36.71 O ATOM 1099 NE2 GLN A 930 61.788 56.505 11.183 1.00 32.11 N ATOM 1100 HE22 GLN A 930 62.103 55.699 10.606 1.00 0.00 H ATOM 1101 HE21 GLN A 930 61.444 56.349 12.152 1.00 0.00 H ATOM 1102 H GLN A 930 64.741 56.921 7.981 1.00 0.00 H ATOM 1103 N ALA A 931 66.346 59.746 8.209 1.00 28.08 N ATOM 1104 CA ALA A 931 67.440 60.706 8.297 1.00 25.02 C ATOM 1105 C ALA A 931 67.840 61.224 6.918 1.00 30.02 C ATOM 1106 O ALA A 931 68.105 62.414 6.745 1.00 32.09 O ATOM 1107 CB ALA A 931 68.637 60.077 8.994 1.00 20.39 C ATOM 1108 H ALA A 931 66.512 58.766 8.515 1.00 0.00 H ATOM 1109 N LEU A 932 67.880 60.323 5.941 1.00 28.23 N ATOM 1110 CA LEU A 932 68.252 60.688 4.579 1.00 29.60 C ATOM 1111 C LEU A 932 67.144 61.476 3.890 1.00 28.60 C ATOM 1112 O LEU A 932 67.412 62.385 3.106 1.00 29.08 O ATOM 1113 CB LEU A 932 68.594 59.438 3.767 1.00 29.33 C ATOM 1114 CG LEU A 932 69.840 58.672 4.218 1.00 28.57 C ATOM 1115 CD1 LEU A 932 70.016 57.403 3.402 1.00 28.07 C ATOM 1116 CD2 LEU A 932 71.076 59.555 4.118 1.00 26.12 C ATOM 1117 H LEU A 932 67.640 59.334 6.153 1.00 0.00 H ATOM 1118 N GLU A 933 65.898 61.119 4.186 1.00 33.90 N ATOM 1119 CA GLU A 933 64.745 61.805 3.613 1.00 30.55 C ATOM 1120 C GLU A 933 64.631 63.226 4.150 1.00 40.06 C ATOM 1121 O GLU A 933 64.317 64.158 3.408 1.00 39.32 O ATOM 1122 CB GLU A 933 63.459 61.028 3.905 1.00 35.63 C ATOM 1123 CG GLU A 933 62.188 61.710 3.419 1.00 53.40 C ATOM 1124 CD GLU A 933 62.109 61.810 1.906 1.00 71.34 C ATOM 1125 OE1 GLU A 933 62.749 60.988 1.217 1.00 76.27 O ATOM 1126 OE2 GLU A 933 61.404 62.713 1.406 1.00 79.62 O ATOM 1127 H GLU A 933 65.741 60.329 4.844 1.00 0.00 H ATOM 1128 N THR A 934 64.888 63.386 5.444 1.00 37.51 N ATOM 1129 CA THR A 934 64.801 64.690 6.088 1.00 33.77 C ATOM 1130 C THR A 934 65.939 65.595 5.624 1.00 30.19 C ATOM 1131 O THR A 934 65.747 66.792 5.412 1.00 35.28 O ATOM 1132 CB THR A 934 64.825 64.558 7.622 1.00 37.24 C ATOM 1133 OG1 THR A 934 63.778 63.674 8.040 1.00 42.12 O ATOM 1134 CG2 THR A 934 64.626 65.915 8.282 1.00 34.41 C ATOM 1135 HG1 THR A 934 63.915 62.784 7.629 1.00 0.00 H ATOM 1136 H THR A 934 65.159 62.558 6.012 1.00 0.00 H ATOM 1137 N GLY A 935 67.124 65.015 5.461 1.00 28.64 N ATOM 1138 CA GLY A 935 68.253 65.744 4.916 1.00 26.57 C ATOM 1139 C GLY A 935 69.187 66.303 5.969 1.00 28.40 C ATOM 1140 O GLY A 935 69.861 67.308 5.740 1.00 28.59 O ATOM 1141 H GLY A 935 67.244 64.018 5.730 1.00 0.00 H ATOM 1142 N VAL A 936 69.226 65.657 7.128 1.00 26.76 N ATOM 1143 CA VAL A 936 70.150 66.051 8.180 1.00 26.33 C ATOM 1144 C VAL A 936 71.581 65.748 7.744 1.00 24.12 C ATOM 1145 O VAL A 936 71.812 64.856 6.928 1.00 31.34 O ATOM 1146 CB VAL A 936 69.839 65.328 9.511 1.00 24.66 C ATOM 1147 CG1 VAL A 936 68.443 65.690 10.001 1.00 19.98 C ATOM 1148 CG2 VAL A 936 69.970 63.823 9.341 1.00 18.34 C ATOM 1149 H VAL A 936 68.584 64.854 7.287 1.00 0.00 H ATOM 1150 N THR A 937 72.537 66.504 8.271 1.00 22.48 N ATOM 1151 CA THR A 937 73.943 66.263 7.970 1.00 23.32 C ATOM 1152 C THR A 937 74.605 65.581 9.160 1.00 27.57 C ATOM 1153 O THR A 937 75.724 65.074 9.063 1.00 24.20 O ATOM 1154 CB THR A 937 74.688 67.563 7.634 1.00 22.68 C ATOM 1155 OG1 THR A 937 74.613 68.457 8.750 1.00 26.65 O ATOM 1156 CG2 THR A 937 74.066 68.230 6.416 1.00 19.59 C ATOM 1157 HG1 THR A 937 75.093 69.295 8.533 1.00 0.00 H ATOM 1158 H THR A 937 72.278 67.282 8.910 1.00 0.00 H ATOM 1159 N VAL A 938 73.897 65.580 10.286 1.00 17.57 N ATOM 1160 CA VAL A 938 74.356 64.892 11.486 1.00 23.80 C ATOM 1161 C VAL A 938 73.290 63.949 12.032 1.00 25.88 C ATOM 1162 O VAL A 938 72.197 64.373 12.411 1.00 26.91 O ATOM 1163 CB VAL A 938 74.751 65.877 12.604 1.00 24.38 C ATOM 1164 CG1 VAL A 938 75.047 65.119 13.892 1.00 18.43 C ATOM 1165 CG2 VAL A 938 75.948 66.710 12.185 1.00 27.33 C ATOM 1166 H VAL A 938 72.988 66.085 10.311 1.00 0.00 H ATOM 1167 N THR A 939 73.620 62.665 12.061 1.00 26.27 N ATOM 1168 CA THR A 939 72.793 61.671 12.724 1.00 21.62 C ATOM 1169 C THR A 939 73.638 60.983 13.792 1.00 23.14 C ATOM 1170 O THR A 939 74.663 61.518 14.211 1.00 26.80 O ATOM 1171 CB THR A 939 72.234 60.639 11.728 1.00 22.01 C ATOM 1172 OG1 THR A 939 71.348 59.742 12.407 1.00 20.09 O ATOM 1173 CG2 THR A 939 73.363 59.855 11.070 1.00 17.68 C ATOM 1174 HG1 THR A 939 70.992 59.081 11.762 1.00 0.00 H ATOM 1175 H THR A 939 74.498 62.360 11.595 1.00 0.00 H ATOM 1176 N GLY A 940 73.216 59.806 14.237 1.00 28.49 N ATOM 1177 CA GLY A 940 74.016 59.037 15.169 1.00 28.10 C ATOM 1178 C GLY A 940 73.309 57.807 15.692 1.00 27.53 C ATOM 1179 O GLY A 940 72.533 57.172 14.981 1.00 27.06 O ATOM 1180 H GLY A 940 72.301 59.432 13.913 1.00 0.00 H ATOM 1181 N CYS A 941 73.588 57.465 16.944 1.00 27.68 N ATOM 1182 CA CYS A 941 72.942 56.327 17.584 1.00 29.59 C ATOM 1183 C CYS A 941 72.719 56.595 19.067 1.00 25.45 C ATOM 1184 O CYS A 941 73.407 57.421 19.669 1.00 23.76 O ATOM 1185 CB CYS A 941 73.767 55.053 17.389 1.00 20.59 C ATOM 1186 SG CYS A 941 75.527 55.223 17.752 1.00 27.90 S ATOM 1187 H CYS A 941 74.284 58.022 17.480 1.00 0.00 H ATOM 1188 N THR A 942 71.753 55.893 19.650 1.00 24.81 N ATOM 1189 CA THR A 942 71.379 56.120 21.039 1.00 21.15 C ATOM 1190 C THR A 942 71.196 54.822 21.814 1.00 24.17 C ATOM 1191 O THR A 942 70.449 53.937 21.397 1.00 23.47 O ATOM 1192 CB THR A 942 70.071 56.934 21.141 1.00 24.52 C ATOM 1193 OG1 THR A 942 70.198 58.153 20.399 1.00 22.46 O ATOM 1194 CG2 THR A 942 69.746 57.254 22.594 1.00 25.27 C ATOM 1195 HG1 THR A 942 70.380 57.942 19.449 1.00 0.00 H ATOM 1196 H THR A 942 71.253 55.165 19.102 1.00 0.00 H ATOM 1197 N VAL A 943 71.888 54.712 22.943 1.00 24.71 N ATOM 1198 CA VAL A 943 71.615 53.644 23.893 1.00 24.82 C ATOM 1199 C VAL A 943 70.709 54.189 24.984 1.00 29.54 C ATOM 1200 O VAL A 943 71.002 55.222 25.587 1.00 30.60 O ATOM 1201 CB VAL A 943 72.891 53.076 24.531 1.00 26.96 C ATOM 1202 CG1 VAL A 943 72.536 51.919 25.450 1.00 26.97 C ATOM 1203 CG2 VAL A 943 73.866 52.628 23.462 1.00 28.66 C ATOM 1204 H VAL A 943 72.638 55.402 23.151 1.00 0.00 H ATOM 1205 N HIS A 944 69.607 53.496 25.236 1.00 28.05 N ATOM 1206 CA HIS A 944 68.634 53.968 26.208 1.00 28.53 C ATOM 1207 C HIS A 944 67.998 52.814 26.963 1.00 32.00 C ATOM 1208 O HIS A 944 67.952 51.687 26.470 1.00 30.60 O ATOM 1209 CB HIS A 944 67.549 54.794 25.515 1.00 28.85 C ATOM 1210 CG HIS A 944 66.735 54.016 24.528 1.00 28.24 C ATOM 1211 ND1 HIS A 944 65.500 53.489 24.835 1.00 29.82 N ATOM 1212 CD2 HIS A 944 66.979 53.679 23.239 1.00 24.76 C ATOM 1213 CE1 HIS A 944 65.017 52.859 23.778 1.00 27.54 C ATOM 1214 NE2 HIS A 944 65.895 52.960 22.796 1.00 26.37 N ATOM 1215 H HIS A 944 69.436 52.603 24.732 1.00 0.00 H ATOM 1216 N PHE A 945 67.512 53.100 28.165 1.00 29.11 N ATOM 1217 CA PHE A 945 66.702 52.136 28.890 1.00 37.44 C ATOM 1218 C PHE A 945 65.406 51.909 28.120 1.00 34.81 C ATOM 1219 O PHE A 945 64.850 52.842 27.544 1.00 35.98 O ATOM 1220 CB PHE A 945 66.412 52.620 30.312 1.00 32.73 C ATOM 1221 CG PHE A 945 67.570 52.460 31.256 1.00 33.51 C ATOM 1222 CD1 PHE A 945 67.930 51.206 31.719 1.00 34.59 C ATOM 1223 CD2 PHE A 945 68.292 53.560 31.690 1.00 33.73 C ATOM 1224 CE1 PHE A 945 68.992 51.048 32.589 1.00 40.00 C ATOM 1225 CE2 PHE A 945 69.357 53.407 32.563 1.00 35.11 C ATOM 1226 CZ PHE A 945 69.706 52.151 33.012 1.00 37.98 C ATOM 1227 H PHE A 945 67.714 54.026 28.593 1.00 0.00 H ATOM 1228 N VAL A 946 64.935 50.668 28.089 1.00 38.03 N ATOM 1229 CA VAL A 946 63.697 50.360 27.386 1.00 38.48 C ATOM 1230 C VAL A 946 62.480 50.698 28.236 1.00 45.46 C ATOM 1231 O VAL A 946 62.305 50.159 29.329 1.00 47.84 O ATOM 1232 CB VAL A 946 63.626 48.878 26.982 1.00 37.25 C ATOM 1233 CG1 VAL A 946 62.327 48.595 26.240 1.00 39.92 C ATOM 1234 CG2 VAL A 946 64.823 48.507 26.127 1.00 35.74 C ATOM 1235 H VAL A 946 65.455 49.908 28.572 1.00 0.00 H ATOM 1236 N ALA A 947 61.646 51.601 27.732 1.00 48.20 N ATOM 1237 CA ALA A 947 60.379 51.915 28.380 1.00 50.79 C ATOM 1238 C ALA A 947 59.238 51.264 27.606 1.00 53.67 C ATOM 1239 O ALA A 947 59.457 50.692 26.538 1.00 55.20 O ATOM 1240 CB ALA A 947 60.181 53.419 28.475 1.00 48.34 C ATOM 1241 H ALA A 947 61.903 52.096 26.854 1.00 0.00 H ATOM 1242 N GLU A 948 58.025 51.342 28.146 1.00 54.75 N ATOM 1243 CA GLU A 948 56.867 50.742 27.492 1.00 59.41 C ATOM 1244 C GLU A 948 56.603 51.411 26.147 1.00 65.31 C ATOM 1245 O GLU A 948 56.244 50.748 25.172 1.00 66.80 O ATOM 1246 CB GLU A 948 55.630 50.835 28.389 1.00 61.87 C ATOM 1247 CG GLU A 948 54.389 50.183 27.797 1.00 66.04 C ATOM 1248 CD GLU A 948 53.393 49.750 28.856 1.00 70.05 C ATOM 1249 OE1 GLU A 948 52.176 49.800 28.584 1.00 71.46 O ATOM 1250 OE2 GLU A 948 53.829 49.355 29.959 1.00 71.73 O ATOM 1251 H GLU A 948 57.900 51.840 29.051 1.00 0.00 H ATOM 1252 N ASP A 949 56.788 52.726 26.097 1.00 69.18 N ATOM 1253 CA ASP A 949 56.672 53.458 24.843 1.00 73.08 C ATOM 1254 C ASP A 949 57.951 53.306 24.029 1.00 63.32 C ATOM 1255 O ASP A 949 59.049 53.565 24.524 1.00 59.07 O ATOM 1256 CB ASP A 949 56.367 54.935 25.101 1.00 83.06 C ATOM 1257 CG ASP A 949 54.886 55.247 25.008 1.00 94.33 C ATOM 1258 OD1 ASP A 949 54.072 54.303 25.086 1.00 98.93 O ATOM 1259 OD2 ASP A 949 54.537 56.436 24.855 1.00 97.19 O ATOM 1260 H ASP A 949 57.020 53.242 26.970 1.00 0.00 H ATOM 1261 N VAL A 950 57.791 52.878 22.780 1.00 64.56 N ATOM 1262 CA VAL A 950 58.909 52.556 21.897 1.00 57.43 C ATOM 1263 C VAL A 950 59.888 53.710 21.706 1.00 62.38 C ATOM 1264 O VAL A 950 59.486 54.822 21.362 1.00 67.35 O ATOM 1265 CB VAL A 950 58.396 52.112 20.510 1.00 68.88 C ATOM 1266 CG1 VAL A 950 59.542 52.019 19.514 1.00 70.07 C ATOM 1267 CG2 VAL A 950 57.657 50.788 20.617 1.00 61.09 C ATOM 1268 H VAL A 950 56.824 52.767 22.415 1.00 0.00 H ATOM 1269 N ASP A 951 61.170 53.429 21.938 1.00 59.64 N ATOM 1270 CA ASP A 951 62.250 54.393 21.731 1.00 65.02 C ATOM 1271 C ASP A 951 62.044 55.678 22.527 1.00 70.16 C ATOM 1272 O ASP A 951 62.418 56.760 22.076 1.00 67.29 O ATOM 1273 CB ASP A 951 62.392 54.729 20.243 1.00 69.77 C ATOM 1274 CG ASP A 951 62.828 53.538 19.410 1.00 69.01 C ATOM 1275 OD1 ASP A 951 63.462 52.617 19.967 1.00 65.07 O ATOM 1276 OD2 ASP A 951 62.535 53.524 18.196 1.00 71.09 O ATOM 1277 H ASP A 951 61.414 52.479 22.283 1.00 0.00 H ATOM 1278 N ALA A 952 61.452 55.558 23.711 1.00 80.26 N ATOM 1279 CA ALA A 952 61.131 56.731 24.515 1.00 83.89 C ATOM 1280 C ALA A 952 61.703 56.634 25.926 1.00 75.20 C ATOM 1281 O ALA A 952 61.409 57.471 26.778 1.00 87.85 O ATOM 1282 CB ALA A 952 59.625 56.931 24.571 1.00 84.11 C ATOM 1283 H ALA A 952 61.214 54.611 24.070 1.00 0.00 H ATOM 1284 N GLY A 953 62.519 55.616 26.170 1.00 59.59 N ATOM 1285 CA GLY A 953 63.138 55.446 27.471 1.00 49.88 C ATOM 1286 C GLY A 953 64.243 56.457 27.710 1.00 45.75 C ATOM 1287 O GLY A 953 64.626 57.193 26.801 1.00 43.43 O ATOM 1288 H GLY A 953 62.718 54.928 25.416 1.00 0.00 H ATOM 1289 N GLN A 954 64.761 56.494 28.933 1.00 43.20 N ATOM 1290 CA GLN A 954 65.803 57.453 29.283 1.00 43.62 C ATOM 1291 C GLN A 954 67.119 57.165 28.569 1.00 42.33 C ATOM 1292 O GLN A 954 67.559 56.019 28.480 1.00 35.62 O ATOM 1293 CB GLN A 954 66.023 57.474 30.793 1.00 43.93 C ATOM 1294 CG GLN A 954 64.920 58.189 31.545 1.00 46.90 C ATOM 1295 CD GLN A 954 64.818 59.656 31.172 1.00 54.41 C ATOM 1296 OE1 GLN A 954 65.761 60.425 31.363 1.00 56.49 O ATOM 1297 NE2 GLN A 954 63.668 60.053 30.639 1.00 49.46 N ATOM 1298 HE22 GLN A 954 62.898 59.369 30.496 1.00 0.00 H ATOM 1299 HE21 GLN A 954 63.538 61.048 30.365 1.00 0.00 H ATOM 1300 H GLN A 954 64.417 55.827 29.654 1.00 0.00 H ATOM 1301 N ILE A 955 67.741 58.225 28.068 1.00 24.78 N ATOM 1302 CA ILE A 955 68.955 58.112 27.270 1.00 24.78 C ATOM 1303 C ILE A 955 70.197 57.937 28.140 1.00 29.43 C ATOM 1304 O ILE A 955 70.416 58.693 29.086 1.00 29.31 O ATOM 1305 CB ILE A 955 69.135 59.347 26.369 1.00 25.45 C ATOM 1306 CG1 ILE A 955 68.005 59.421 25.341 1.00 24.05 C ATOM 1307 CG2 ILE A 955 70.481 59.307 25.668 1.00 23.37 C ATOM 1308 CD1 ILE A 955 68.011 60.688 24.521 1.00 25.03 C ATOM 1309 H ILE A 955 67.348 59.170 28.252 1.00 0.00 H ATOM 1310 N ILE A 956 71.006 56.935 27.809 1.00 31.92 N ATOM 1311 CA ILE A 956 72.229 56.655 28.552 1.00 23.60 C ATOM 1312 C ILE A 956 73.453 57.245 27.854 1.00 28.58 C ATOM 1313 O ILE A 956 74.199 58.024 28.447 1.00 30.76 O ATOM 1314 CB ILE A 956 72.435 55.141 28.739 1.00 25.10 C ATOM 1315 CG1 ILE A 956 71.220 54.520 29.431 1.00 26.81 C ATOM 1316 CG2 ILE A 956 73.700 54.875 29.539 1.00 27.31 C ATOM 1317 CD1 ILE A 956 71.247 53.008 29.479 1.00 28.65 C ATOM 1318 H ILE A 956 70.759 56.334 26.997 1.00 0.00 H ATOM 1319 N LEU A 957 73.656 56.866 26.596 1.00 27.49 N ATOM 1320 CA LEU A 957 74.762 57.389 25.800 1.00 22.84 C ATOM 1321 C LEU A 957 74.333 57.654 24.361 1.00 25.58 C ATOM 1322 O LEU A 957 73.445 56.983 23.835 1.00 23.12 O ATOM 1323 CB LEU A 957 75.951 56.421 25.814 1.00 24.86 C ATOM 1324 CG LEU A 957 76.805 56.345 27.080 1.00 32.01 C ATOM 1325 CD1 LEU A 957 77.985 55.408 26.873 1.00 27.19 C ATOM 1326 CD2 LEU A 957 77.288 57.729 27.479 1.00 30.35 C ATOM 1327 H LEU A 957 73.007 56.176 26.166 1.00 0.00 H ATOM 1328 N GLN A 958 74.970 58.639 23.735 1.00 24.16 N ATOM 1329 CA GLN A 958 74.759 58.939 22.322 1.00 16.52 C ATOM 1330 C GLN A 958 76.080 59.303 21.650 1.00 21.94 C ATOM 1331 O GLN A 958 76.972 59.869 22.281 1.00 25.20 O ATOM 1332 CB GLN A 958 73.760 60.087 22.142 1.00 18.56 C ATOM 1333 CG GLN A 958 72.347 59.800 22.618 1.00 17.46 C ATOM 1334 CD GLN A 958 71.412 60.973 22.389 1.00 17.29 C ATOM 1335 OE1 GLN A 958 71.622 62.062 22.925 1.00 20.13 O ATOM 1336 NE2 GLN A 958 70.371 60.756 21.592 1.00 17.43 N ATOM 1337 HE22 GLN A 958 70.233 59.820 21.160 1.00 0.00 H ATOM 1338 HE21 GLN A 958 69.695 61.522 21.400 1.00 0.00 H ATOM 1339 H GLN A 958 75.645 59.219 24.273 1.00 0.00 H ATOM 1340 N GLU A 959 76.202 58.976 20.369 1.00 19.20 N ATOM 1341 CA GLU A 959 77.356 59.401 19.588 1.00 21.72 C ATOM 1342 C GLU A 959 76.906 59.927 18.237 1.00 24.63 C ATOM 1343 O GLU A 959 76.131 59.279 17.539 1.00 22.79 O ATOM 1344 CB GLU A 959 78.349 58.257 19.398 1.00 18.19 C ATOM 1345 CG GLU A 959 79.528 58.625 18.511 1.00 28.37 C ATOM 1346 CD GLU A 959 80.707 57.695 18.691 1.00 37.73 C ATOM 1347 OE1 GLU A 959 80.941 57.249 19.834 1.00 45.58 O ATOM 1348 OE2 GLU A 959 81.404 57.414 17.693 1.00 40.13 O ATOM 1349 H GLU A 959 75.460 58.406 19.915 1.00 0.00 H ATOM 1350 N ALA A 960 77.397 61.105 17.871 1.00 24.64 N ATOM 1351 CA ALA A 960 77.028 61.716 16.603 1.00 23.50 C ATOM 1352 C ALA A 960 77.841 61.151 15.443 1.00 24.10 C ATOM 1353 O ALA A 960 79.046 60.929 15.560 1.00 20.56 O ATOM 1354 CB ALA A 960 77.197 63.211 16.678 1.00 15.45 C ATOM 1355 H ALA A 960 78.058 61.601 18.503 1.00 0.00 H ATOM 1356 N VAL A 961 77.166 60.924 14.323 1.00 26.29 N ATOM 1357 CA VAL A 961 77.803 60.414 13.116 1.00 19.66 C ATOM 1358 C VAL A 961 77.421 61.286 11.927 1.00 21.23 C ATOM 1359 O VAL A 961 76.239 61.541 11.699 1.00 27.53 O ATOM 1360 CB VAL A 961 77.401 58.952 12.838 1.00 23.84 C ATOM 1361 CG1 VAL A 961 77.887 58.510 11.467 1.00 14.17 C ATOM 1362 CG2 VAL A 961 77.941 58.037 13.924 1.00 13.46 C ATOM 1363 H VAL A 961 76.144 61.117 14.306 1.00 0.00 H ATOM 1364 N PRO A 962 78.422 61.752 11.167 1.00 21.46 N ATOM 1365 CA PRO A 962 78.162 62.639 10.029 1.00 22.63 C ATOM 1366 C PRO A 962 77.471 61.935 8.868 1.00 27.20 C ATOM 1367 O PRO A 962 77.708 60.752 8.627 1.00 27.44 O ATOM 1368 CB PRO A 962 79.565 63.101 9.619 1.00 19.44 C ATOM 1369 CG PRO A 962 80.459 61.998 10.059 1.00 21.93 C ATOM 1370 CD PRO A 962 79.860 61.484 11.341 1.00 22.53 C ATOM 1371 N VAL A 963 76.613 62.668 8.167 1.00 31.85 N ATOM 1372 CA VAL A 963 76.014 62.177 6.935 1.00 27.12 C ATOM 1373 C VAL A 963 76.711 62.814 5.744 1.00 26.58 C ATOM 1374 O VAL A 963 76.707 64.036 5.591 1.00 33.45 O ATOM 1375 CB VAL A 963 74.508 62.477 6.865 1.00 28.00 C ATOM 1376 CG1 VAL A 963 73.932 61.982 5.547 1.00 20.20 C ATOM 1377 CG2 VAL A 963 73.788 61.840 8.041 1.00 21.43 C ATOM 1378 H VAL A 963 76.363 63.618 8.508 1.00 0.00 H ATOM 1379 N LYS A 964 77.318 61.984 4.905 1.00 22.01 N ATOM 1380 CA LYS A 964 78.023 62.478 3.733 1.00 28.69 C ATOM 1381 C LYS A 964 77.090 62.520 2.530 1.00 35.60 C ATOM 1382 O LYS A 964 76.156 61.728 2.433 1.00 41.08 O ATOM 1383 CB LYS A 964 79.242 61.606 3.439 1.00 30.90 C ATOM 1384 CG LYS A 964 80.126 61.374 4.654 1.00 42.57 C ATOM 1385 CD LYS A 964 81.493 60.845 4.257 1.00 48.15 C ATOM 1386 CE LYS A 964 82.370 60.615 5.477 1.00 50.94 C ATOM 1387 NZ LYS A 964 82.384 61.796 6.385 1.00 52.19 N ATOM 1388 HZ1 LYS A 964 82.751 62.622 5.871 1.00 0.00 H ATOM 1389 HZ2 LYS A 964 81.416 61.992 6.712 1.00 0.00 H ATOM 1390 HZ3 LYS A 964 82.994 61.596 7.203 1.00 0.00 H ATOM 1391 H LYS A 964 77.289 60.961 5.089 1.00 0.00 H ATOM 1392 N ARG A 965 77.340 63.457 1.623 1.00 37.31 N ATOM 1393 CA ARG A 965 76.537 63.582 0.413 1.00 38.90 C ATOM 1394 C ARG A 965 76.609 62.313 -0.428 1.00 37.93 C ATOM 1395 O ARG A 965 77.686 61.759 -0.645 1.00 40.45 O ATOM 1396 CB ARG A 965 76.997 64.784 -0.410 1.00 45.08 C ATOM 1397 CG ARG A 965 76.606 66.124 0.188 1.00 52.86 C ATOM 1398 CD ARG A 965 77.688 67.166 -0.044 1.00 62.69 C ATOM 1399 NE ARG A 965 78.370 67.512 1.200 1.00 65.09 N ATOM 1400 CZ ARG A 965 79.557 68.106 1.263 1.00 63.02 C ATOM 1401 NH1 ARG A 965 80.205 68.422 0.148 1.00 63.01 N ATOM 1402 NH2 ARG A 965 80.099 68.383 2.441 1.00 61.16 N ATOM 1403 HE ARG A 965 77.896 67.278 2.095 1.00 0.00 H ATOM 1404 HH12 ARG A 965 81.134 68.887 0.200 1.00 0.00 H ATOM 1405 HH11 ARG A 965 79.784 68.205 -0.778 1.00 0.00 H ATOM 1406 HH22 ARG A 965 81.028 68.848 2.490 1.00 0.00 H ATOM 1407 HH21 ARG A 965 79.595 68.135 3.316 1.00 0.00 H ATOM 1408 H ARG A 965 78.128 64.118 1.780 1.00 0.00 H ATOM 1409 N GLY A 966 75.454 61.852 -0.893 1.00 37.61 N ATOM 1410 CA GLY A 966 75.393 60.653 -1.705 1.00 34.18 C ATOM 1411 C GLY A 966 75.241 59.401 -0.866 1.00 33.24 C ATOM 1412 O GLY A 966 75.260 58.289 -1.392 1.00 30.56 O ATOM 1413 H GLY A 966 74.575 62.362 -0.670 1.00 0.00 H ATOM 1414 N ASP A 967 75.090 59.582 0.443 1.00 27.26 N ATOM 1415 CA ASP A 967 74.905 58.460 1.359 1.00 24.92 C ATOM 1416 C ASP A 967 73.634 57.679 1.057 1.00 30.27 C ATOM 1417 O ASP A 967 72.623 58.246 0.644 1.00 30.64 O ATOM 1418 CB ASP A 967 74.864 58.944 2.811 1.00 26.30 C ATOM 1419 CG ASP A 967 76.147 58.651 3.563 1.00 28.76 C ATOM 1420 OD1 ASP A 967 76.936 57.806 3.092 1.00 32.03 O ATOM 1421 OD2 ASP A 967 76.364 59.262 4.631 1.00 27.58 O ATOM 1422 H ASP A 967 75.104 60.549 0.825 1.00 0.00 H ATOM 1423 N THR A 968 73.697 56.370 1.266 1.00 27.42 N ATOM 1424 CA THR A 968 72.517 55.522 1.193 1.00 25.23 C ATOM 1425 C THR A 968 72.332 54.851 2.545 1.00 26.61 C ATOM 1426 O THR A 968 73.097 55.107 3.473 1.00 24.99 O ATOM 1427 CB THR A 968 72.636 54.457 0.089 1.00 31.18 C ATOM 1428 OG1 THR A 968 73.657 53.514 0.438 1.00 34.77 O ATOM 1429 CG2 THR A 968 72.982 55.107 -1.245 1.00 31.10 C ATOM 1430 HG1 THR A 968 73.731 52.830 -0.274 1.00 0.00 H ATOM 1431 H THR A 968 74.616 55.938 1.488 1.00 0.00 H ATOM 1432 N VAL A 969 71.319 54.000 2.661 1.00 27.07 N ATOM 1433 CA VAL A 969 71.106 53.248 3.891 1.00 20.90 C ATOM 1434 C VAL A 969 72.300 52.329 4.139 1.00 33.68 C ATOM 1435 O VAL A 969 72.713 52.120 5.279 1.00 36.07 O ATOM 1436 CB VAL A 969 69.802 52.424 3.835 1.00 29.21 C ATOM 1437 CG1 VAL A 969 69.687 51.496 5.039 1.00 23.17 C ATOM 1438 CG2 VAL A 969 68.598 53.349 3.750 1.00 25.22 C ATOM 1439 H VAL A 969 70.667 53.868 1.861 1.00 0.00 H ATOM 1440 N ALA A 970 72.867 51.806 3.056 1.00 30.18 N ATOM 1441 CA ALA A 970 74.008 50.901 3.137 1.00 31.38 C ATOM 1442 C ALA A 970 75.246 51.573 3.729 1.00 31.67 C ATOM 1443 O ALA A 970 75.869 51.042 4.647 1.00 32.58 O ATOM 1444 CB ALA A 970 74.325 50.338 1.758 1.00 25.38 C ATOM 1445 H ALA A 970 72.484 52.050 2.120 1.00 0.00 H ATOM 1446 N THR A 971 75.597 52.742 3.200 1.00 26.61 N ATOM 1447 CA THR A 971 76.808 53.443 3.621 1.00 22.91 C ATOM 1448 C THR A 971 76.640 54.146 4.968 1.00 26.32 C ATOM 1449 O THR A 971 77.559 54.159 5.788 1.00 35.18 O ATOM 1450 CB THR A 971 77.249 54.479 2.566 1.00 25.12 C ATOM 1451 OG1 THR A 971 76.148 55.335 2.238 1.00 25.26 O ATOM 1452 CG2 THR A 971 77.726 53.778 1.304 1.00 22.57 C ATOM 1453 HG1 THR A 971 75.844 55.806 3.054 1.00 0.00 H ATOM 1454 H THR A 971 74.994 53.168 2.468 1.00 0.00 H ATOM 1455 N LEU A 972 75.466 54.728 5.192 1.00 22.86 N ATOM 1456 CA LEU A 972 75.200 55.467 6.423 1.00 18.98 C ATOM 1457 C LEU A 972 75.141 54.542 7.633 1.00 21.22 C ATOM 1458 O LEU A 972 75.702 54.848 8.684 1.00 25.82 O ATOM 1459 CB LEU A 972 73.894 56.255 6.305 1.00 19.96 C ATOM 1460 CG LEU A 972 73.518 57.113 7.514 1.00 20.41 C ATOM 1461 CD1 LEU A 972 74.623 58.111 7.830 1.00 20.47 C ATOM 1462 CD2 LEU A 972 72.195 57.826 7.281 1.00 16.64 C ATOM 1463 H LEU A 972 74.718 54.655 4.473 1.00 0.00 H ATOM 1464 N SER A 973 74.455 53.414 7.481 1.00 18.56 N ATOM 1465 CA SER A 973 74.348 52.435 8.558 1.00 24.13 C ATOM 1466 C SER A 973 75.703 51.819 8.880 1.00 25.38 C ATOM 1467 O SER A 973 75.978 51.474 10.027 1.00 31.14 O ATOM 1468 CB SER A 973 73.353 51.335 8.192 1.00 26.07 C ATOM 1469 OG SER A 973 73.737 50.696 6.989 1.00 34.58 O ATOM 1470 HG SER A 973 73.763 51.362 6.257 1.00 0.00 H ATOM 1471 H SER A 973 73.984 53.225 6.574 1.00 0.00 H ATOM 1472 N GLU A 974 76.541 51.674 7.859 1.00 24.81 N ATOM 1473 CA GLU A 974 77.887 51.145 8.040 1.00 21.68 C ATOM 1474 C GLU A 974 78.704 52.061 8.944 1.00 24.55 C ATOM 1475 O GLU A 974 79.458 51.600 9.801 1.00 26.67 O ATOM 1476 CB GLU A 974 78.587 50.978 6.690 1.00 23.05 C ATOM 1477 CG GLU A 974 79.971 50.358 6.783 1.00 24.97 C ATOM 1478 CD GLU A 974 80.653 50.230 5.434 1.00 38.73 C ATOM 1479 OE1 GLU A 974 80.507 51.149 4.601 1.00 35.84 O ATOM 1480 OE2 GLU A 974 81.344 49.214 5.210 1.00 39.70 O ATOM 1481 H GLU A 974 76.228 51.945 6.905 1.00 0.00 H ATOM 1482 N ARG A 975 78.539 53.364 8.745 1.00 25.57 N ATOM 1483 CA ARG A 975 79.274 54.359 9.514 1.00 28.01 C ATOM 1484 C ARG A 975 78.713 54.492 10.927 1.00 27.13 C ATOM 1485 O ARG A 975 79.465 54.641 11.889 1.00 28.82 O ATOM 1486 CB ARG A 975 79.237 55.712 8.802 1.00 19.20 C ATOM 1487 CG ARG A 975 80.244 56.716 9.332 1.00 19.84 C ATOM 1488 CD ARG A 975 80.176 58.034 8.575 1.00 19.71 C ATOM 1489 NE ARG A 975 80.165 57.841 7.128 1.00 24.62 N ATOM 1490 CZ ARG A 975 79.141 58.155 6.342 1.00 22.79 C ATOM 1491 NH1 ARG A 975 78.041 58.682 6.862 1.00 19.40 N ATOM 1492 NH2 ARG A 975 79.216 57.945 5.035 1.00 27.10 N ATOM 1493 HE ARG A 975 81.012 57.432 6.685 1.00 0.00 H ATOM 1494 HH12 ARG A 975 77.240 58.927 6.245 1.00 0.00 H ATOM 1495 HH11 ARG A 975 77.979 58.850 7.886 1.00 0.00 H ATOM 1496 HH22 ARG A 975 78.413 58.192 4.422 1.00 0.00 H ATOM 1497 HH21 ARG A 975 80.078 57.534 4.623 1.00 0.00 H ATOM 1498 H ARG A 975 77.866 53.683 8.019 1.00 0.00 H ATOM 1499 N VAL A 976 77.390 54.438 11.042 1.00 25.01 N ATOM 1500 CA VAL A 976 76.718 54.574 12.331 1.00 23.47 C ATOM 1501 C VAL A 976 77.004 53.365 13.224 1.00 30.12 C ATOM 1502 O VAL A 976 77.151 53.500 14.440 1.00 35.98 O ATOM 1503 CB VAL A 976 75.188 54.752 12.148 1.00 22.28 C ATOM 1504 CG1 VAL A 976 74.447 54.579 13.469 1.00 16.88 C ATOM 1505 CG2 VAL A 976 74.880 56.109 11.530 1.00 20.17 C ATOM 1506 H VAL A 976 76.815 54.294 10.187 1.00 0.00 H ATOM 1507 N LYS A 977 77.104 52.189 12.610 1.00 26.40 N ATOM 1508 CA LYS A 977 77.357 50.954 13.350 1.00 28.82 C ATOM 1509 C LYS A 977 78.720 50.956 14.033 1.00 30.64 C ATOM 1510 O LYS A 977 78.908 50.292 15.054 1.00 39.00 O ATOM 1511 CB LYS A 977 77.249 49.739 12.428 1.00 34.45 C ATOM 1512 CG LYS A 977 75.833 49.206 12.277 1.00 42.49 C ATOM 1513 CD LYS A 977 75.800 47.938 11.440 1.00 50.52 C ATOM 1514 CE LYS A 977 74.379 47.416 11.296 1.00 52.37 C ATOM 1515 NZ LYS A 977 74.313 46.184 10.461 1.00 55.96 N ATOM 1516 HZ1 LYS A 977 74.679 46.391 9.510 1.00 0.00 H ATOM 1517 HZ2 LYS A 977 74.889 45.438 10.900 1.00 0.00 H ATOM 1518 HZ3 LYS A 977 73.325 45.866 10.392 1.00 0.00 H ATOM 1519 H LYS A 977 76.999 52.147 11.576 1.00 0.00 H ATOM 1520 N LEU A 978 79.670 51.694 13.466 1.00 21.99 N ATOM 1521 CA LEU A 978 80.984 51.841 14.082 1.00 29.74 C ATOM 1522 C LEU A 978 80.866 52.592 15.400 1.00 34.22 C ATOM 1523 O LEU A 978 81.646 52.371 16.325 1.00 32.90 O ATOM 1524 CB LEU A 978 81.950 52.569 13.146 1.00 31.26 C ATOM 1525 CG LEU A 978 82.468 51.773 11.948 1.00 35.34 C ATOM 1526 CD1 LEU A 978 83.367 52.641 11.083 1.00 25.31 C ATOM 1527 CD2 LEU A 978 83.204 50.523 12.411 1.00 26.27 C ATOM 1528 H LEU A 978 79.472 52.176 12.566 1.00 0.00 H ATOM 1529 N ALA A 979 79.884 53.483 15.476 1.00 19.87 N ATOM 1530 CA ALA A 979 79.613 54.217 16.705 1.00 22.81 C ATOM 1531 C ALA A 979 78.808 53.355 17.671 1.00 25.07 C ATOM 1532 O ALA A 979 79.009 53.416 18.883 1.00 32.57 O ATOM 1533 CB ALA A 979 78.879 55.510 16.403 1.00 21.78 C ATOM 1534 H ALA A 979 79.294 53.661 14.638 1.00 0.00 H ATOM 1535 N GLU A 980 77.897 52.555 17.121 1.00 23.21 N ATOM 1536 CA GLU A 980 77.102 51.618 17.912 1.00 22.55 C ATOM 1537 C GLU A 980 77.998 50.647 18.671 1.00 27.20 C ATOM 1538 O GLU A 980 77.749 50.328 19.834 1.00 31.58 O ATOM 1539 CB GLU A 980 76.138 50.834 17.019 1.00 22.81 C ATOM 1540 CG GLU A 980 75.054 51.665 16.351 1.00 31.35 C ATOM 1541 CD GLU A 980 74.018 50.800 15.653 1.00 33.62 C ATOM 1542 OE1 GLU A 980 73.843 49.634 16.065 1.00 37.27 O ATOM 1543 OE2 GLU A 980 73.385 51.282 14.691 1.00 37.94 O ATOM 1544 H GLU A 980 77.746 52.598 16.093 1.00 0.00 H ATOM 1545 N HIS A 981 79.047 50.186 17.999 1.00 25.07 N ATOM 1546 CA HIS A 981 79.976 49.228 18.580 1.00 22.16 C ATOM 1547 C HIS A 981 80.813 49.860 19.688 1.00 28.51 C ATOM 1548 O HIS A 981 81.468 49.158 20.457 1.00 29.80 O ATOM 1549 CB HIS A 981 80.886 48.648 17.494 1.00 23.68 C ATOM 1550 CG HIS A 981 80.159 47.839 16.466 1.00 39.28 C ATOM 1551 ND1 HIS A 981 80.762 47.378 15.316 1.00 37.17 N ATOM 1552 CD2 HIS A 981 78.876 47.406 16.418 1.00 34.88 C ATOM 1553 CE1 HIS A 981 79.883 46.697 14.603 1.00 35.79 C ATOM 1554 NE2 HIS A 981 78.732 46.699 15.248 1.00 37.55 N ATOM 1555 H HIS A 981 79.210 50.520 17.028 1.00 0.00 H ATOM 1556 N LYS A 982 80.788 51.187 19.768 1.00 26.46 N ATOM 1557 CA LYS A 982 81.509 51.899 20.816 1.00 28.98 C ATOM 1558 C LYS A 982 80.638 52.151 22.045 1.00 28.88 C ATOM 1559 O LYS A 982 80.978 51.736 23.153 1.00 30.87 O ATOM 1560 CB LYS A 982 82.049 53.234 20.295 1.00 30.74 C ATOM 1561 CG LYS A 982 83.101 53.124 19.202 1.00 40.02 C ATOM 1562 CD LYS A 982 83.623 54.503 18.825 1.00 48.56 C ATOM 1563 CE LYS A 982 84.559 54.452 17.630 1.00 61.96 C ATOM 1564 NZ LYS A 982 85.061 55.810 17.273 1.00 70.17 N ATOM 1565 HZ1 LYS A 982 84.256 56.425 17.036 1.00 0.00 H ATOM 1566 HZ2 LYS A 982 85.579 56.210 18.081 1.00 0.00 H ATOM 1567 HZ3 LYS A 982 85.697 55.739 16.453 1.00 0.00 H ATOM 1568 H LYS A 982 80.242 51.729 19.068 1.00 0.00 H ATOM 1569 N ILE A 983 79.511 52.827 21.841 1.00 24.65 N ATOM 1570 CA ILE A 983 78.708 53.324 22.952 1.00 29.06 C ATOM 1571 C ILE A 983 77.840 52.253 23.624 1.00 31.43 C ATOM 1572 O ILE A 983 77.486 52.397 24.790 1.00 35.56 O ATOM 1573 CB ILE A 983 77.799 54.486 22.495 1.00 26.95 C ATOM 1574 CG1 ILE A 983 76.702 53.972 21.563 1.00 27.36 C ATOM 1575 CG2 ILE A 983 78.621 55.572 21.820 1.00 20.13 C ATOM 1576 CD1 ILE A 983 75.623 54.989 21.276 1.00 25.55 C ATOM 1577 H ILE A 983 79.195 53.005 20.866 1.00 0.00 H ATOM 1578 N PHE A 984 77.495 51.189 22.903 1.00 27.74 N ATOM 1579 CA PHE A 984 76.651 50.150 23.484 1.00 26.16 C ATOM 1580 C PHE A 984 77.444 49.290 24.481 1.00 27.51 C ATOM 1581 O PHE A 984 76.934 48.985 25.560 1.00 31.27 O ATOM 1582 CB PHE A 984 76.005 49.283 22.386 1.00 25.54 C ATOM 1583 CG PHE A 984 74.838 48.454 22.866 1.00 26.13 C ATOM 1584 CD1 PHE A 984 74.161 48.794 24.029 1.00 40.89 C ATOM 1585 CD2 PHE A 984 74.404 47.351 22.144 1.00 31.10 C ATOM 1586 CE1 PHE A 984 73.083 48.043 24.469 1.00 39.85 C ATOM 1587 CE2 PHE A 984 73.326 46.600 22.582 1.00 35.95 C ATOM 1588 CZ PHE A 984 72.666 46.943 23.739 1.00 38.42 C ATOM 1589 H PHE A 984 77.828 51.098 21.922 1.00 0.00 H ATOM 1590 N PRO A 985 78.686 48.897 24.142 1.00 26.40 N ATOM 1591 CA PRO A 985 79.446 48.242 25.213 1.00 27.63 C ATOM 1592 C PRO A 985 79.775 49.196 26.360 1.00 25.10 C ATOM 1593 O PRO A 985 79.800 48.780 27.518 1.00 28.88 O ATOM 1594 CB PRO A 985 80.718 47.781 24.505 1.00 25.91 C ATOM 1595 CG PRO A 985 80.322 47.631 23.083 1.00 24.25 C ATOM 1596 CD PRO A 985 79.357 48.755 22.837 1.00 25.32 C ATOM 1597 N ALA A 986 80.022 50.460 26.032 1.00 23.18 N ATOM 1598 CA ALA A 986 80.344 51.463 27.039 1.00 24.91 C ATOM 1599 C ALA A 986 79.159 51.706 27.968 1.00 29.59 C ATOM 1600 O ALA A 986 79.332 51.881 29.174 1.00 31.53 O ATOM 1601 CB ALA A 986 80.772 52.763 26.376 1.00 23.34 C ATOM 1602 H ALA A 986 79.985 50.740 25.031 1.00 0.00 H ATOM 1603 N ALA A 987 77.956 51.716 27.400 1.00 21.66 N ATOM 1604 CA ALA A 987 76.747 51.942 28.184 1.00 21.62 C ATOM 1605 C ALA A 987 76.447 50.752 29.083 1.00 36.65 C ATOM 1606 O ALA A 987 76.025 50.920 30.225 1.00 39.15 O ATOM 1607 CB ALA A 987 75.570 52.223 27.275 1.00 24.23 C ATOM 1608 H ALA A 987 77.876 51.559 26.375 1.00 0.00 H ATOM 1609 N LEU A 988 76.664 49.551 28.556 1.00 21.94 N ATOM 1610 CA LEU A 988 76.452 48.328 29.320 1.00 27.61 C ATOM 1611 C LEU A 988 77.351 48.295 30.550 1.00 27.03 C ATOM 1612 O LEU A 988 76.928 47.887 31.631 1.00 34.29 O ATOM 1613 CB LEU A 988 76.706 47.098 28.447 1.00 22.91 C ATOM 1614 CG LEU A 988 76.669 45.753 29.175 1.00 26.34 C ATOM 1615 CD1 LEU A 988 75.302 45.524 29.796 1.00 25.36 C ATOM 1616 CD2 LEU A 988 77.033 44.616 28.234 1.00 24.85 C ATOM 1617 H LEU A 988 76.994 49.482 27.572 1.00 0.00 H ATOM 1618 N GLN A 989 78.591 48.737 30.376 1.00 27.37 N ATOM 1619 CA GLN A 989 79.542 48.808 31.477 1.00 30.89 C ATOM 1620 C GLN A 989 79.087 49.810 32.533 1.00 28.92 C ATOM 1621 O GLN A 989 79.172 49.542 33.731 1.00 30.06 O ATOM 1622 CB GLN A 989 80.931 49.185 30.960 1.00 25.69 C ATOM 1623 CG GLN A 989 81.943 49.476 32.054 1.00 31.94 C ATOM 1624 CD GLN A 989 82.299 48.248 32.872 1.00 41.48 C ATOM 1625 OE1 GLN A 989 81.983 47.118 32.495 1.00 36.75 O ATOM 1626 NE2 GLN A 989 82.959 48.465 34.003 1.00 42.31 N ATOM 1627 HE22 GLN A 989 83.206 49.436 34.283 1.00 0.00 H ATOM 1628 HE21 GLN A 989 83.229 47.664 34.609 1.00 0.00 H ATOM 1629 H GLN A 989 78.891 49.041 29.428 1.00 0.00 H ATOM 1630 N LEU A 990 78.603 50.961 32.076 1.00 26.87 N ATOM 1631 CA LEU A 990 78.119 52.005 32.972 1.00 25.32 C ATOM 1632 C LEU A 990 76.969 51.509 33.839 1.00 37.42 C ATOM 1633 O LEU A 990 76.884 51.841 35.021 1.00 41.81 O ATOM 1634 CB LEU A 990 77.675 53.235 32.176 1.00 25.03 C ATOM 1635 CG LEU A 990 78.773 54.098 31.557 1.00 27.14 C ATOM 1636 CD1 LEU A 990 78.163 55.183 30.682 1.00 25.76 C ATOM 1637 CD2 LEU A 990 79.656 54.708 32.639 1.00 27.50 C ATOM 1638 H LEU A 990 78.569 51.122 31.049 1.00 0.00 H ATOM 1639 N VAL A 991 76.088 50.711 33.245 1.00 36.68 N ATOM 1640 CA VAL A 991 74.936 50.180 33.961 1.00 25.03 C ATOM 1641 C VAL A 991 75.327 49.015 34.864 1.00 35.66 C ATOM 1642 O VAL A 991 74.897 48.940 36.015 1.00 41.39 O ATOM 1643 CB VAL A 991 73.834 49.713 32.989 1.00 34.80 C ATOM 1644 CG1 VAL A 991 72.636 49.179 33.760 1.00 25.54 C ATOM 1645 CG2 VAL A 991 73.415 50.855 32.078 1.00 24.44 C ATOM 1646 H VAL A 991 76.224 50.460 32.245 1.00 0.00 H ATOM 1647 N ALA A 992 76.151 48.114 34.340 1.00 32.27 N ATOM 1648 CA ALA A 992 76.538 46.913 35.073 1.00 35.01 C ATOM 1649 C ALA A 992 77.450 47.229 36.254 1.00 37.34 C ATOM 1650 O ALA A 992 77.530 46.455 37.207 1.00 39.91 O ATOM 1651 CB ALA A 992 77.213 45.920 34.140 1.00 26.01 C ATOM 1652 H ALA A 992 76.530 48.269 33.384 1.00 0.00 H ATOM 1653 N SER A 993 78.139 48.363 36.187 1.00 28.40 N ATOM 1654 CA SER A 993 79.034 48.770 37.263 1.00 30.08 C ATOM 1655 C SER A 993 78.295 49.572 38.329 1.00 32.37 C ATOM 1656 O SER A 993 78.828 49.822 39.409 1.00 36.43 O ATOM 1657 CB SER A 993 80.203 49.586 36.709 1.00 34.44 C ATOM 1658 OG SER A 993 79.745 50.782 36.100 1.00 36.67 O ATOM 1659 HG SER A 993 79.132 50.558 35.355 1.00 0.00 H ATOM 1660 H SER A 993 78.038 48.972 35.350 1.00 0.00 H ATOM 1661 N GLY A 994 77.066 49.972 38.023 1.00 35.44 N ATOM 1662 CA GLY A 994 76.271 50.752 38.952 1.00 39.68 C ATOM 1663 C GLY A 994 76.568 52.235 38.853 1.00 39.62 C ATOM 1664 O GLY A 994 76.061 53.033 39.642 1.00 45.88 O ATOM 1665 H GLY A 994 76.665 49.720 37.097 1.00 0.00 H ATOM 1666 N THR A 995 77.397 52.601 37.881 1.00 32.89 N ATOM 1667 CA THR A 995 77.731 53.998 37.639 1.00 33.96 C ATOM 1668 C THR A 995 76.496 54.763 37.179 1.00 40.04 C ATOM 1669 O THR A 995 76.204 55.850 37.677 1.00 44.72 O ATOM 1670 CB THR A 995 78.842 54.140 36.582 1.00 34.73 C ATOM 1671 OG1 THR A 995 79.997 53.402 36.997 1.00 35.66 O ATOM 1672 CG2 THR A 995 79.217 55.604 36.394 1.00 34.74 C ATOM 1673 HG1 THR A 995 79.758 52.447 37.098 1.00 0.00 H ATOM 1674 H THR A 995 77.820 51.869 37.275 1.00 0.00 H ATOM 1675 N VAL A 996 75.774 54.183 36.226 1.00 40.09 N ATOM 1676 CA VAL A 996 74.541 54.776 35.725 1.00 33.78 C ATOM 1677 C VAL A 996 73.340 53.924 36.123 1.00 40.87 C ATOM 1678 O VAL A 996 73.349 52.705 35.951 1.00 43.25 O ATOM 1679 CB VAL A 996 74.569 54.936 34.188 1.00 33.03 C ATOM 1680 CG1 VAL A 996 73.169 55.199 33.640 1.00 37.41 C ATOM 1681 CG2 VAL A 996 75.531 56.042 33.783 1.00 27.43 C ATOM 1682 H VAL A 996 76.099 53.279 35.826 1.00 0.00 H ATOM 1683 N GLN A 997 72.313 54.569 36.664 1.00 34.54 N ATOM 1684 CA GLN A 997 71.081 53.875 37.012 1.00 38.06 C ATOM 1685 C GLN A 997 69.864 54.730 36.680 1.00 43.74 C ATOM 1686 O GLN A 997 69.974 55.944 36.512 1.00 39.93 O ATOM 1687 CB GLN A 997 71.070 53.503 38.495 1.00 42.04 C ATOM 1688 CG GLN A 997 70.692 54.650 39.415 1.00 56.47 C ATOM 1689 CD GLN A 997 70.830 54.291 40.879 1.00 63.95 C ATOM 1690 OE1 GLN A 997 71.652 53.454 41.251 1.00 69.93 O ATOM 1691 NE2 GLN A 997 70.016 54.918 41.721 1.00 66.65 N ATOM 1692 HE22 GLN A 997 69.336 55.619 41.362 1.00 0.00 H ATOM 1693 HE21 GLN A 997 70.059 54.708 42.739 1.00 0.00 H ATOM 1694 H GLN A 997 72.390 55.591 36.843 1.00 0.00 H ATOM 1695 N LEU A 998 68.704 54.088 36.585 1.00 48.12 N ATOM 1696 CA LEU A 998 67.459 54.805 36.348 1.00 50.05 C ATOM 1697 C LEU A 998 66.968 55.439 37.646 1.00 58.48 C ATOM 1698 O LEU A 998 66.662 54.740 38.613 1.00 66.96 O ATOM 1699 CB LEU A 998 66.393 53.869 35.773 1.00 53.05 C ATOM 1700 CG LEU A 998 65.245 54.536 35.009 1.00 60.04 C ATOM 1701 CD1 LEU A 998 65.776 55.404 33.876 1.00 58.07 C ATOM 1702 CD2 LEU A 998 64.268 53.497 34.480 1.00 53.16 C ATOM 1703 H LEU A 998 68.685 53.053 36.682 1.00 0.00 H ATOM 1704 N GLY A 999 66.903 56.767 37.662 1.00 59.70 N ATOM 1705 CA GLY A 999 66.492 57.497 38.847 1.00 68.45 C ATOM 1706 C GLY A 999 65.031 57.280 39.186 1.00 77.25 C ATOM 1707 O GLY A 999 64.207 57.067 38.297 1.00 75.55 O ATOM 1708 H GLY A 999 67.153 57.297 36.803 1.00 0.00 H ATOM 1709 N GLU A1000 64.711 57.338 40.476 1.00 84.26 N ATOM 1710 CA GLU A1000 63.342 57.144 40.942 1.00 92.15 C ATOM 1711 C GLU A1000 62.425 58.248 40.424 1.00 95.12 C ATOM 1712 O GLU A1000 61.214 58.058 40.306 1.00102.50 O ATOM 1713 CB GLU A1000 63.300 57.088 42.462 1.00 99.43 C ATOM 1714 H GLU A1000 65.459 57.527 41.173 1.00 0.00 H ATOM 1715 N ASN A1001 63.011 59.401 40.116 1.00 91.16 N ATOM 1716 CA ASN A1001 62.272 60.501 39.510 1.00 92.09 C ATOM 1717 C ASN A1001 61.937 60.193 38.057 1.00 85.94 C ATOM 1718 O ASN A1001 61.099 60.855 37.445 1.00 88.45 O ATOM 1719 CB ASN A1001 63.073 61.800 39.599 1.00 90.26 C ATOM 1720 CG ASN A1001 64.387 61.728 38.845 1.00 80.62 C ATOM 1721 OD1 ASN A1001 65.090 60.718 38.893 1.00 74.04 O ATOM 1722 ND2 ASN A1001 64.726 62.803 38.142 1.00 80.48 N ATOM 1723 HD22 ASN A1001 64.102 63.635 38.130 1.00 0.00 H ATOM 1724 HD21 ASN A1001 65.616 62.813 37.604 1.00 0.00 H ATOM 1725 H ASN A1001 64.025 59.521 40.313 1.00 0.00 H ATOM 1726 N GLY A1002 62.605 59.182 37.512 1.00 78.15 N ATOM 1727 CA GLY A1002 62.401 58.782 36.135 1.00 74.73 C ATOM 1728 C GLY A1002 63.650 58.976 35.299 1.00 68.38 C ATOM 1729 O GLY A1002 63.947 58.164 34.429 1.00 61.98 O ATOM 1730 H GLY A1002 63.295 58.662 38.091 1.00 0.00 H ATOM 1731 N LYS A1003 64.390 60.045 35.579 1.00 68.89 N ATOM 1732 CA LYS A1003 65.546 60.425 34.771 1.00 64.41 C ATOM 1733 C LYS A1003 66.776 59.554 35.029 1.00 61.77 C ATOM 1734 O LYS A1003 66.719 58.576 35.774 1.00 65.99 O ATOM 1735 CB LYS A1003 65.887 61.888 35.010 1.00 65.61 C ATOM 1736 H LYS A1003 64.137 60.630 36.401 1.00 0.00 H ATOM 1737 N ILE A1004 67.887 59.928 34.399 1.00 55.52 N ATOM 1738 CA ILE A1004 69.147 59.199 34.515 1.00 47.83 C ATOM 1739 C ILE A1004 69.965 59.699 35.702 1.00 50.40 C ATOM 1740 O ILE A1004 70.140 60.904 35.883 1.00 57.35 O ATOM 1741 CB ILE A1004 69.980 59.325 33.219 1.00 41.16 C ATOM 1742 CG1 ILE A1004 69.526 58.283 32.199 1.00 41.78 C ATOM 1743 CG2 ILE A1004 71.468 59.151 33.499 1.00 33.95 C ATOM 1744 CD1 ILE A1004 69.873 56.869 32.587 1.00 38.93 C ATOM 1745 H ILE A1004 67.857 60.776 33.798 1.00 0.00 H ATOM 1746 N CYS A1005 70.461 58.767 36.510 1.00 45.93 N ATOM 1747 CA CYS A1005 71.238 59.113 37.695 1.00 49.08 C ATOM 1748 C CYS A1005 72.656 58.552 37.640 1.00 47.61 C ATOM 1749 O CYS A1005 72.853 57.351 37.452 1.00 47.92 O ATOM 1750 CB CYS A1005 70.530 58.611 38.956 1.00 46.97 C ATOM 1751 SG CYS A1005 71.388 58.990 40.500 1.00 67.27 S ATOM 1752 H CYS A1005 70.290 57.765 36.291 1.00 0.00 H ATOM 1753 N TRP A1006 73.638 59.432 37.806 1.00 48.79 N ATOM 1754 CA TRP A1006 75.038 59.027 37.867 1.00 52.61 C ATOM 1755 C TRP A1006 75.511 58.927 39.315 1.00 59.44 C ATOM 1756 O TRP A1006 74.830 59.382 40.234 1.00 65.97 O ATOM 1757 CB TRP A1006 75.919 60.010 37.093 1.00 50.33 C ATOM 1758 CG TRP A1006 75.781 59.906 35.605 1.00 45.94 C ATOM 1759 CD1 TRP A1006 74.698 60.261 34.855 1.00 46.82 C ATOM 1760 CD2 TRP A1006 76.766 59.420 34.682 1.00 38.52 C ATOM 1761 NE1 TRP A1006 74.944 60.022 33.523 1.00 39.38 N ATOM 1762 CE2 TRP A1006 76.205 59.507 33.392 1.00 33.17 C ATOM 1763 CE3 TRP A1006 78.063 58.919 34.824 1.00 35.91 C ATOM 1764 CZ2 TRP A1006 76.900 59.111 32.250 1.00 29.67 C ATOM 1765 CZ3 TRP A1006 78.750 58.526 33.688 1.00 33.44 C ATOM 1766 CH2 TRP A1006 78.167 58.624 32.419 1.00 31.61 C ATOM 1767 HE1 TRP A1006 74.280 60.203 32.743 1.00 0.00 H ATOM 1768 H TRP A1006 73.401 60.441 37.895 1.00 0.00 H ATOM 1769 N VAL A1007 76.681 58.327 39.512 1.00 60.96 N ATOM 1770 CA VAL A1007 77.239 58.165 40.849 1.00 65.75 C ATOM 1771 C VAL A1007 78.703 58.591 40.892 1.00 69.42 C ATOM 1772 O VAL A1007 79.534 58.072 40.147 1.00 69.12 O ATOM 1773 CB VAL A1007 77.122 56.707 41.336 1.00 64.36 C ATOM 1774 CG1 VAL A1007 77.964 56.492 42.588 1.00 69.71 C ATOM 1775 CG2 VAL A1007 75.664 56.342 41.583 1.00 63.70 C ATOM 1776 H VAL A1007 77.210 57.965 38.693 1.00 0.00 H TER 1777 VAL A1007 HETATM 1778 O HOH 1 81.872 46.080 30.380 1.00 32.05 O HETATM 1779 O HOH 2 62.471 48.116 30.731 1.00 34.70 O HETATM 1780 O HOH 3 70.580 63.112 5.633 1.00 40.40 O HETATM 1781 O HOH 4 63.375 46.296 37.388 1.00 48.25 O HETATM 1782 O HOH 5 83.289 51.097 24.175 1.00 32.89 O HETATM 1783 O HOH 6 84.693 46.204 29.396 1.00 32.28 O HETATM 1784 O HOH 7 70.460 57.532 11.323 1.00 34.49 O HETATM 1785 O HOH 8 83.861 48.671 21.420 1.00 47.99 O HETATM 1786 O HOH 9 80.538 46.098 27.993 1.00 24.79 O HETATM 1787 O HOH 10 69.629 60.926 14.073 1.00 27.45 O HETATM 1788 O HOH 11 75.661 30.741 31.173 1.00 33.67 O HETATM 1789 O HOH 12 82.666 39.027 32.007 1.00 32.29 O HETATM 1790 O HOH 13 83.934 50.967 16.086 1.00 30.86 O HETATM 1791 O HOH 14 68.552 65.104 15.586 1.00 21.09 O HETATM 1792 O HOH 15 81.789 52.623 30.122 1.00 41.95 O HETATM 1793 O HOH 16 61.566 52.126 24.859 1.00 55.33 O HETATM 1794 O HOH 17 81.559 56.172 12.794 1.00 28.24 O HETATM 1795 O HOH 18 82.196 55.935 15.467 1.00 39.21 O HETATM 1796 O HOH 19 79.232 62.571 19.461 1.00 19.44 O HETATM 1797 O HOH 20 78.168 66.572 9.163 1.00 34.63 O HETATM 1798 O HOH 21 80.704 37.465 28.703 1.00 36.44 O HETATM 1799 O HOH 22 79.731 64.975 2.358 1.00 46.27 O HETATM 1800 O HOH 23 90.230 45.510 31.187 1.00 49.31 O HETATM 1801 O HOH 24 83.127 57.337 6.392 1.00 41.73 O HETATM 1802 O HOH 25 78.848 47.363 5.908 1.00 40.10 O HETATM 1803 O HOH 26 66.825 52.454 7.674 1.00 20.47 O HETATM 1804 O HOH 27 83.784 51.432 28.626 1.00 34.22 O HETATM 1805 C1 UNN A 28 62.197 48.207 18.685 1.00 -0.04 C HETATM 1806 C2 UNN A 28 61.011 48.911 18.852 1.00 -0.05 C HETATM 1807 C3 UNN A 28 59.867 48.533 18.159 1.00 -0.05 C HETATM 1808 C4 UNN A 28 59.937 47.444 17.300 1.00 0.04 C HETATM 1809 C5 UNN A 28 61.117 46.732 17.124 1.00 -0.05 C HETATM 1810 C6 UNN A 28 62.257 47.119 17.821 1.00 -0.05 C HETATM 1811 H4 UNN A 28 63.186 46.576 17.692 1.00 0.06 H HETATM 1812 H3 UNN A 28 61.149 45.883 16.450 1.00 0.07 H HETATM 1813 C20 UNN A 28 58.653 47.050 16.549 1.00 0.20 C HETATM 1814 O21 UNN A 28 57.669 47.754 16.649 1.00 -0.39 O HETATM 1815 N22 UNN A 28 58.662 45.870 15.762 1.00 -0.27 N HETATM 1816 C23 UNN A 28 57.470 45.512 15.080 1.00 0.10 C HETATM 1817 C24 UNN A 28 57.744 44.900 13.722 1.00 -0.01 C HETATM 1818 C25 UNN A 28 59.023 44.109 13.568 1.00 0.00 C HETATM 1819 C26 UNN A 28 59.136 43.158 12.396 1.00 0.04 C HETATM 1820 O27 UNN A 28 58.200 43.085 11.558 1.00 -0.57 O HETATM 1821 O28 UNN A 28 60.164 42.443 12.264 1.00 -0.57 O HETATM 1822 H19 UNN A 28 59.152 43.515 14.485 1.00 0.04 H HETATM 1823 H20 UNN A 28 59.847 44.833 13.482 1.00 0.04 H HETATM 1824 H17 UNN A 28 57.771 45.719 12.989 1.00 0.03 H HETATM 1825 H18 UNN A 28 56.907 44.226 13.488 1.00 0.03 H HETATM 1826 C29 UNN A 28 56.781 44.482 15.950 1.00 0.06 C HETATM 1827 O30 UNN A 28 56.246 44.872 17.022 1.00 -0.57 O HETATM 1828 O31 UNN A 28 56.748 43.271 15.607 1.00 -0.57 O HETATM 1829 H16 UNN A 28 56.832 46.399 14.955 1.00 0.07 H HETATM 1830 H15 UNN A 28 59.485 45.306 15.690 1.00 0.19 H HETATM 1831 H2 UNN A 28 58.938 49.078 18.287 1.00 0.07 H HETATM 1832 H1 UNN A 28 60.978 49.759 19.526 1.00 0.06 H HETATM 1833 C7 UNN A 28 63.407 48.670 19.468 1.00 -0.00 C HETATM 1834 C8 UNN A 28 63.408 48.563 20.979 1.00 0.01 C HETATM 1835 C9 UNN A 28 62.313 47.679 21.540 1.00 0.06 C HETATM 1836 C10 UNN A 28 62.141 46.327 21.280 1.00 0.13 C HETATM 1837 N11 UNN A 28 61.062 45.918 21.963 1.00 -0.17 N HETATM 1838 C12 UNN A 28 60.540 46.945 22.648 1.00 0.27 C HETATM 1839 C13 UNN A 28 61.302 48.075 22.406 1.00 0.17 C HETATM 1840 C14 UNN A 28 60.945 49.267 23.019 1.00 0.21 C HETATM 1841 O15 UNN A 28 61.594 50.283 22.829 1.00 -0.39 O HETATM 1842 N16 UNN A 28 59.875 49.302 23.825 1.00 -0.26 N HETATM 1843 C17 UNN A 28 59.152 48.192 24.043 1.00 0.20 C HETATM 1844 N18 UNN A 28 59.480 47.027 23.462 1.00 -0.21 N HETATM 1845 H12 UNN A 28 58.911 46.188 23.644 1.00 0.24 H HETATM 1846 N19 UNN A 28 58.021 48.233 24.898 1.00 -0.33 N HETATM 1847 H13 UNN A 28 57.752 49.117 25.354 1.00 0.18 H HETATM 1848 H14 UNN A 28 57.469 47.379 25.063 1.00 0.18 H HETATM 1849 H11 UNN A 28 59.614 50.160 24.267 1.00 0.18 H HETATM 1850 H10 UNN A 28 60.690 44.958 21.962 1.00 0.27 H HETATM 1851 H9 UNN A 28 62.768 45.710 20.638 1.00 0.16 H HETATM 1852 H7 UNN A 28 63.283 49.573 21.396 1.00 0.05 H HETATM 1853 H8 UNN A 28 64.378 48.153 21.295 1.00 0.05 H HETATM 1854 H5 UNN A 28 63.559 49.732 19.223 1.00 0.05 H HETATM 1855 H6 UNN A 28 64.265 48.084 19.106 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1805 1806 1810 1833 CONECT 1806 1805 1807 1832 CONECT 1807 1806 1808 1831 CONECT 1808 1807 1809 1813 CONECT 1809 1808 1810 1812 CONECT 1810 1805 1809 1811 CONECT 1811 1810 CONECT 1812 1809 CONECT 1813 1808 1814 1815 CONECT 1814 1813 CONECT 1815 1813 1816 1830 CONECT 1816 1815 1817 1826 1829 CONECT 1817 1816 1818 1824 1825 CONECT 1818 1817 1819 1822 1823 CONECT 1819 1818 1820 1821 CONECT 1820 1819 CONECT 1821 1819 CONECT 1822 1818 CONECT 1823 1818 CONECT 1824 1817 CONECT 1825 1817 CONECT 1826 1816 1827 1828 CONECT 1827 1826 CONECT 1828 1826 CONECT 1829 1816 CONECT 1830 1815 CONECT 1831 1807 CONECT 1832 1806 CONECT 1833 1805 1834 1854 1855 CONECT 1834 1833 1835 1852 1853 CONECT 1835 1834 1836 1839 CONECT 1836 1835 1837 1851 CONECT 1837 1836 1838 1850 CONECT 1838 1837 1839 1844 CONECT 1839 1835 1838 1840 CONECT 1840 1839 1841 1842 CONECT 1841 1840 CONECT 1842 1840 1843 1849 CONECT 1843 1842 1844 1846 CONECT 1844 1838 1843 1845 CONECT 1845 1844 CONECT 1846 1843 1847 1848 CONECT 1847 1846 CONECT 1848 1846 CONECT 1849 1842 CONECT 1850 1837 CONECT 1851 1836 CONECT 1852 1834 CONECT 1853 1834 CONECT 1854 1833 CONECT 1855 1833 MASTER 0 0 0 0 0 0 0 0 1854 1 55 16 END
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Structure:
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Protein
Pocket-Ligand
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Related entries of code: 4zz3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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PDBbind
209aa, >1NJS_1|Chains... at 100%
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4zyw
RCSB PDB
PDBbind
210aa, >4ZYW_1|Chain... at 100%
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RCSB PDB
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PDBbind
210aa, >4ZYY_1|Chain... at 100%
4zyz
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PDBbind
210aa, >4ZYZ_1|Chain... at 100%
4zz0
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210aa, >4ZZ0_1|Chain... at 100%
4zz1
RCSB PDB
PDBbind
210aa, >4ZZ1_1|Chain... at 100%
4zz2
RCSB PDB
PDBbind
210aa, >4ZZ2_1|Chain... at 100%
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RCSB PDB
PDBbind
210aa, >5J9F_1|Chain... at 99%
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
4zz3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human glycinamide ribonucleotide formyltransferase (GARFTase)
Ligand Name
4DW
EC.Number
E.C.2.1.2.2
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Ki=1000nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 6938-6959
Ligand Properties
Formula
C
2
0
H
2
2
N
5
O
6
Molecular Weight
428.419
Exact Mass
428.157
No. of atoms
53
No. of bonds
55
Polar Surface Area
192.51
LOGP Value
3.83 (
Computed with XLOGP3
)
1.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 3
Canonical SMILES
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH+]c([nH]2)N
InChI String
InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/p+1/t13-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P22102
Entrez Gene ID
NCBI Entrez Gene ID:
2618
ASD
Information of known allosteric effects of PDB entries
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