Browse entries in the PDBbind-CN Database
HEADER 3WUV_COMPLEX COMPND 3WUV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 56 GLY ALA MET GLY SER PHE ASN SER SER ILE ASN ASN ILE SEQRES 2 A 56 HIS GLU MET GLU ILE GLN LEU LYS ASP ALA LEU GLU LYS SEQRES 3 A 56 ASN GLN GLN TRP LEU VAL TYR ASP GLN GLN ARG GLU VAL SEQRES 4 A 56 TYR VAL LYS GLY LEU LEU ALA LYS ILE PHE GLU LEU GLU SEQRES 5 A 56 LYS LYS THR GLU SEQRES 1 B 60 ALA MET GLY SER PHE ASN SER SER ILE ASN ASN ILE HIS SEQRES 2 B 60 GLU MET GLU ILE GLN LEU LYS ASP ALA LEU GLU LYS ASN SEQRES 3 B 60 GLN GLN TRP LEU VAL TYR ASP GLN GLN ARG GLU VAL TYR SEQRES 4 B 60 VAL LYS GLY LEU LEU ALA LYS ILE PHE GLU LEU GLU LYS SEQRES 5 B 60 LYS THR GLU THR ALA ALA HIS SER HET GLN A 149 199 ATOM 1 N GLY A 155 -80.300 95.561 43.657 1.00 98.01 N ATOM 2 CA GLY A 155 -78.896 95.876 43.489 1.00118.20 C ATOM 3 C GLY A 155 -78.350 96.845 44.525 1.00127.51 C ATOM 4 O GLY A 155 -77.517 96.476 45.353 1.00130.16 O ATOM 5 HN3 GLY A 155 -80.861 96.434 43.586 1.00 0.00 H ATOM 6 HN2 GLY A 155 -80.447 95.127 44.591 1.00 0.00 H ATOM 7 HN1 GLY A 155 -80.596 94.896 42.914 1.00 0.00 H ATOM 8 N ALA A 156 -78.833 98.084 44.493 1.00132.76 N ATOM 9 CA ALA A 156 -78.238 99.162 45.282 1.00134.29 C ATOM 10 C ALA A 156 -78.439 99.053 46.794 1.00139.57 C ATOM 11 O ALA A 156 -77.525 99.364 47.561 1.00128.11 O ATOM 12 CB ALA A 156 -78.725 100.518 44.782 1.00116.60 C ATOM 13 H ALA A 156 -79.655 98.292 43.891 1.00 0.00 H ATOM 14 N MET A 157 -79.586 98.530 47.198 1.00167.14 N ATOM 15 CA MET A 157 -80.015 98.621 48.586 1.00165.83 C ATOM 16 C MET A 157 -79.074 97.947 49.572 1.00152.95 C ATOM 17 O MET A 157 -78.832 98.475 50.641 1.00140.34 O ATOM 18 CB MET A 157 -81.441 98.084 48.755 1.00150.63 C ATOM 19 CG MET A 157 -81.599 96.609 48.423 1.00158.85 C ATOM 20 SD MET A 157 -82.125 96.286 46.730 1.00153.83 S ATOM 21 CE MET A 157 -81.120 97.478 45.846 1.00137.22 C ATOM 22 H MET A 157 -80.194 98.043 46.509 1.00 0.00 H ATOM 23 N GLY A 158 -78.549 96.784 49.224 1.00149.10 N ATOM 24 CA GLY A 158 -78.702 96.224 47.906 1.00143.61 C ATOM 25 C GLY A 158 -77.858 94.979 47.828 1.00117.78 C ATOM 26 O GLY A 158 -77.398 94.446 48.825 1.00101.96 O ATOM 27 H GLY A 158 -78.003 96.252 49.931 1.00 0.00 H ATOM 28 N SER A 159 -77.655 94.507 46.620 1.00118.73 N ATOM 29 CA SER A 159 -76.802 93.388 46.441 1.00106.68 C ATOM 30 C SER A 159 -75.508 93.899 46.969 1.00106.00 C ATOM 31 O SER A 159 -74.785 93.200 47.648 1.00115.42 O ATOM 32 CB SER A 159 -76.663 93.079 44.967 1.00 94.89 C ATOM 33 OG SER A 159 -77.402 91.927 44.635 1.00 87.46 O ATOM 34 HG SER A 159 -77.301 91.739 43.668 1.00 0.00 H ATOM 35 H SER A 159 -78.116 94.950 45.800 1.00 0.00 H ATOM 36 N PHE A 160 -75.222 95.150 46.695 1.00103.81 N ATOM 37 CA PHE A 160 -73.913 95.647 46.980 1.00 89.41 C ATOM 38 C PHE A 160 -73.682 95.483 48.449 1.00 98.29 C ATOM 39 O PHE A 160 -72.631 95.058 48.876 1.00 93.91 O ATOM 40 CB PHE A 160 -73.861 97.118 46.666 1.00 90.12 C ATOM 41 CG PHE A 160 -73.808 97.427 45.206 1.00102.40 C ATOM 42 CD1 PHE A 160 -72.792 96.956 44.432 1.00102.23 C ATOM 43 CD2 PHE A 160 -74.768 98.209 44.620 1.00106.07 C ATOM 44 CE1 PHE A 160 -72.728 97.258 43.106 1.00 93.62 C ATOM 45 CE2 PHE A 160 -74.712 98.514 43.294 1.00 84.84 C ATOM 46 CZ PHE A 160 -73.690 98.034 42.538 1.00 85.21 C ATOM 47 H PHE A 160 -75.941 95.773 46.275 1.00 0.00 H ATOM 48 N ASN A 161 -74.678 95.792 49.244 1.00105.56 N ATOM 49 CA ASN A 161 -74.444 95.748 50.656 1.00101.56 C ATOM 50 C ASN A 161 -74.084 94.349 51.079 1.00106.69 C ATOM 51 O ASN A 161 -73.131 94.130 51.804 1.00101.90 O ATOM 52 CB ASN A 161 -75.694 96.168 51.390 1.00 99.03 C ATOM 53 CG ASN A 161 -75.508 96.148 52.873 1.00115.60 C ATOM 54 OD1 ASN A 161 -74.720 96.920 53.417 1.00109.39 O ATOM 55 ND2 ASN A 161 -76.219 95.258 53.543 1.00111.18 N ATOM 56 HD22 ASN A 161 -76.873 94.627 53.037 1.00 0.00 H ATOM 57 HD21 ASN A 161 -76.125 95.189 54.576 1.00 0.00 H ATOM 58 H ASN A 161 -75.607 96.060 48.862 1.00 0.00 H ATOM 59 N SER A 162 -74.831 93.388 50.579 1.00106.89 N ATOM 60 CA SER A 162 -74.604 92.020 50.946 1.00 95.14 C ATOM 61 C SER A 162 -73.233 91.654 50.465 1.00 93.94 C ATOM 62 O SER A 162 -72.515 90.926 51.099 1.00 99.60 O ATOM 63 CB SER A 162 -75.625 91.134 50.288 1.00 86.24 C ATOM 64 OG SER A 162 -75.137 90.734 49.041 1.00 92.77 O ATOM 65 HG SER A 162 -74.974 91.533 48.480 1.00 0.00 H ATOM 66 H SER A 162 -75.593 93.623 49.911 1.00 0.00 H ATOM 67 N SER A 163 -72.865 92.141 49.311 1.00 76.93 N ATOM 68 CA SER A 163 -71.572 91.794 48.805 1.00 80.08 C ATOM 69 C SER A 163 -70.494 92.297 49.722 1.00 82.24 C ATOM 70 O SER A 163 -69.483 91.669 49.878 1.00 91.31 O ATOM 71 CB SER A 163 -71.394 92.323 47.407 1.00 83.88 C ATOM 72 OG SER A 163 -72.327 91.704 46.564 1.00 76.98 O ATOM 73 HG SER A 163 -73.242 91.904 46.884 1.00 0.00 H ATOM 74 H SER A 163 -73.497 92.767 48.772 1.00 0.00 H ATOM 75 N ILE A 164 -70.693 93.461 50.297 1.00 85.78 N ATOM 76 CA ILE A 164 -69.686 94.060 51.168 1.00 80.34 C ATOM 77 C ILE A 164 -69.506 93.223 52.430 1.00 84.22 C ATOM 78 O ILE A 164 -68.382 92.900 52.817 1.00 86.05 O ATOM 79 CB ILE A 164 -70.063 95.500 51.559 1.00 83.48 C ATOM 80 CG1 ILE A 164 -70.131 96.383 50.313 1.00 91.51 C ATOM 81 CG2 ILE A 164 -69.063 96.066 52.556 1.00 69.60 C ATOM 82 CD1 ILE A 164 -70.566 97.801 50.591 1.00 88.78 C ATOM 83 H ILE A 164 -71.586 93.966 50.128 1.00 0.00 H ATOM 84 N ASN A 165 -70.624 92.881 53.064 1.00 85.20 N ATOM 85 CA ASN A 165 -70.627 91.985 54.214 1.00 79.98 C ATOM 86 C ASN A 165 -69.928 90.675 53.890 1.00 84.09 C ATOM 87 O ASN A 165 -69.157 90.148 54.691 1.00 85.00 O ATOM 88 CB ASN A 165 -72.062 91.688 54.643 1.00 88.51 C ATOM 89 CG ASN A 165 -72.442 92.386 55.929 1.00106.12 C ATOM 90 OD1 ASN A 165 -71.583 92.729 56.741 1.00108.08 O ATOM 91 ND2 ASN A 165 -73.739 92.592 56.127 1.00107.67 N ATOM 92 HD22 ASN A 165 -74.429 92.285 55.412 1.00 0.00 H ATOM 93 HD21 ASN A 165 -74.064 93.061 56.997 1.00 0.00 H ATOM 94 H ASN A 165 -71.529 93.267 52.727 1.00 0.00 H ATOM 95 N ASN A 166 -70.211 90.160 52.700 1.00 90.97 N ATOM 96 CA ASN A 166 -69.636 88.908 52.238 1.00 84.38 C ATOM 97 C ASN A 166 -68.116 88.985 52.148 1.00 84.55 C ATOM 98 O ASN A 166 -67.421 87.989 52.344 1.00 95.16 O ATOM 99 CB ASN A 166 -70.226 88.538 50.881 1.00 85.74 C ATOM 100 CG ASN A 166 -70.024 87.084 50.539 1.00102.08 C ATOM 101 OD1 ASN A 166 -69.964 86.227 51.421 1.00112.24 O ATOM 102 ND2 ASN A 166 -69.918 86.793 49.252 1.00107.01 N ATOM 103 HD22 ASN A 166 -69.975 87.550 48.541 1.00 0.00 H ATOM 104 HD21 ASN A 166 -69.778 85.807 48.952 1.00 0.00 H ATOM 105 H ASN A 166 -70.868 90.671 52.076 1.00 0.00 H ATOM 106 N ILE A 167 -67.608 90.177 51.852 1.00 85.17 N ATOM 107 CA ILE A 167 -66.170 90.416 51.827 1.00 85.54 C ATOM 108 C ILE A 167 -65.637 90.523 53.255 1.00 76.86 C ATOM 109 O ILE A 167 -64.502 90.132 53.537 1.00 82.44 O ATOM 110 CB ILE A 167 -65.823 91.691 51.029 1.00 74.47 C ATOM 111 CG1 ILE A 167 -66.283 91.549 49.580 1.00 74.54 C ATOM 112 CG2 ILE A 167 -64.331 91.953 51.047 1.00 78.81 C ATOM 113 CD1 ILE A 167 -65.632 90.397 48.856 1.00 84.94 C ATOM 114 H ILE A 167 -68.255 90.961 51.632 1.00 0.00 H ATOM 115 N HIS A 168 -66.467 91.039 54.155 1.00 76.21 N ATOM 116 CA HIS A 168 -66.088 91.162 55.559 1.00 79.82 C ATOM 117 C HIS A 168 -65.936 89.789 56.206 1.00 83.55 C ATOM 118 O HIS A 168 -65.028 89.570 57.006 1.00 84.80 O ATOM 119 CB HIS A 168 -67.113 92.000 56.327 1.00 76.09 C ATOM 120 CG HIS A 168 -66.734 92.268 57.748 1.00 90.80 C ATOM 121 ND1 HIS A 168 -65.508 92.794 58.108 1.00 89.38 N ATOM 122 CD2 HIS A 168 -67.414 92.090 58.905 1.00 89.34 C ATOM 123 CE1 HIS A 168 -65.453 92.924 59.418 1.00 89.80 C ATOM 124 NE2 HIS A 168 -66.599 92.504 59.929 1.00 79.92 N ATOM 125 H HIS A 168 -67.408 91.363 53.852 1.00 0.00 H ATOM 126 N GLU A 169 -66.830 88.868 55.855 1.00 83.17 N ATOM 127 CA GLU A 169 -66.742 87.495 56.339 1.00 84.46 C ATOM 128 C GLU A 169 -65.462 86.852 55.835 1.00 80.99 C ATOM 129 O GLU A 169 -64.800 86.108 56.553 1.00 86.15 O ATOM 130 CB GLU A 169 -67.946 86.676 55.871 1.00 81.46 C ATOM 131 CG GLU A 169 -69.266 87.138 56.454 1.00101.62 C ATOM 132 CD GLU A 169 -69.267 87.117 57.970 1.00116.65 C ATOM 133 OE1 GLU A 169 -68.700 86.169 58.556 1.00112.99 O ATOM 134 OE2 GLU A 169 -69.829 88.053 58.577 1.00108.39 O ATOM 135 H GLU A 169 -67.610 89.134 55.220 1.00 0.00 H ATOM 136 N MET A 170 -65.125 87.153 54.588 1.00 73.74 N ATOM 137 CA MET A 170 -63.913 86.648 53.968 1.00 77.13 C ATOM 138 C MET A 170 -62.684 87.103 54.745 1.00 74.35 C ATOM 139 O MET A 170 -61.732 86.344 54.927 1.00 76.74 O ATOM 140 CB MET A 170 -63.840 87.143 52.527 1.00 66.50 C ATOM 141 CG MET A 170 -62.639 86.664 51.754 1.00 71.14 C ATOM 142 SD MET A 170 -62.849 87.018 50.005 1.00104.18 S ATOM 143 CE MET A 170 -64.313 86.048 49.657 1.00 92.48 C ATOM 144 H MET A 170 -65.751 87.773 54.035 1.00 0.00 H ATOM 145 N GLU A 171 -62.721 88.346 55.213 1.00 70.71 N ATOM 146 CA GLU A 171 -61.602 88.924 55.945 1.00 71.26 C ATOM 147 C GLU A 171 -61.435 88.305 57.330 1.00 76.23 C ATOM 148 O GLU A 171 -60.315 88.021 57.751 1.00 76.62 O ATOM 149 CB GLU A 171 -61.759 90.443 56.053 1.00 70.22 C ATOM 150 CG GLU A 171 -60.545 91.164 56.622 1.00 66.21 C ATOM 151 CD GLU A 171 -60.615 91.340 58.128 1.00 90.60 C ATOM 152 OE1 GLU A 171 -61.605 90.886 58.738 1.00 96.89 O ATOM 153 OE2 GLU A 171 -59.681 91.935 58.703 1.00102.83 O ATOM 154 H GLU A 171 -63.572 88.922 55.052 1.00 0.00 H ATOM 155 N ILE A 172 -62.538 88.107 58.046 1.00 78.14 N ATOM 156 CA ILE A 172 -62.450 87.500 59.371 1.00 79.20 C ATOM 157 C ILE A 172 -62.093 86.020 59.251 1.00 71.39 C ATOM 158 O ILE A 172 -61.472 85.445 60.145 1.00 74.37 O ATOM 159 CB ILE A 172 -63.743 87.686 60.208 1.00 82.46 C ATOM 160 CG1 ILE A 172 -64.906 86.885 59.621 1.00 80.17 C ATOM 161 CG2 ILE A 172 -64.104 89.161 60.322 1.00 71.49 C ATOM 162 CD1 ILE A 172 -66.149 86.901 60.483 1.00 85.39 C ATOM 163 H ILE A 172 -63.464 88.385 57.662 1.00 0.00 H ATOM 164 N GLN A 173 -62.477 85.419 58.129 1.00 69.02 N ATOM 165 CA GLN A 173 -62.162 84.026 57.842 1.00 59.95 C ATOM 166 C GLN A 173 -60.670 83.874 57.560 1.00 61.80 C ATOM 167 O GLN A 173 -60.062 82.860 57.902 1.00 66.53 O ATOM 168 CB GLN A 173 -62.984 83.541 56.647 1.00 62.42 C ATOM 169 CG GLN A 173 -62.767 82.091 56.270 1.00 78.67 C ATOM 170 CD GLN A 173 -63.636 81.665 55.103 1.00 89.56 C ATOM 171 OE1 GLN A 173 -64.503 82.414 54.654 1.00 95.35 O ATOM 172 NE2 GLN A 173 -63.405 80.456 54.604 1.00 78.58 N ATOM 173 HE22 GLN A 173 -62.661 79.857 55.016 1.00 0.00 H ATOM 174 HE21 GLN A 173 -63.968 80.108 53.802 1.00 0.00 H ATOM 175 H GLN A 173 -63.022 85.963 57.431 1.00 0.00 H ATOM 176 N LEU A 174 -60.084 84.892 56.939 1.00 66.09 N ATOM 177 CA LEU A 174 -58.647 84.917 56.688 1.00 57.76 C ATOM 178 C LEU A 174 -57.874 85.028 57.997 1.00 60.71 C ATOM 179 O LEU A 174 -56.911 84.295 58.228 1.00 67.45 O ATOM 180 CB LEU A 174 -58.286 86.086 55.770 1.00 59.76 C ATOM 181 CG LEU A 174 -56.788 86.379 55.648 1.00 64.01 C ATOM 182 CD1 LEU A 174 -56.036 85.163 55.130 1.00 60.60 C ATOM 183 CD2 LEU A 174 -56.536 87.582 54.755 1.00 73.52 C ATOM 184 H LEU A 174 -60.666 85.694 56.623 1.00 0.00 H ATOM 185 N LYS A 175 -58.309 85.953 58.846 1.00 66.10 N ATOM 186 CA LYS A 175 -57.684 86.182 60.141 1.00 70.20 C ATOM 187 C LYS A 175 -57.768 84.936 61.020 1.00 67.06 C ATOM 188 O LYS A 175 -56.816 84.606 61.732 1.00 70.38 O ATOM 189 CB LYS A 175 -58.366 87.354 60.843 1.00 71.37 C ATOM 190 CG LYS A 175 -57.669 87.808 62.113 1.00 76.90 C ATOM 191 CD LYS A 175 -58.508 88.845 62.836 1.00 82.77 C ATOM 192 CE LYS A 175 -57.843 89.311 64.119 1.00 91.00 C ATOM 193 NZ LYS A 175 -58.770 90.173 64.903 1.00 77.22 N ATOM 194 HZ1 LYS A 175 -59.031 91.005 64.336 1.00 0.00 H ATOM 195 HZ2 LYS A 175 -59.626 89.632 65.142 1.00 0.00 H ATOM 196 HZ3 LYS A 175 -58.298 90.482 65.777 1.00 0.00 H ATOM 197 H LYS A 175 -59.127 86.536 58.575 1.00 0.00 H ATOM 198 N ASP A 176 -58.911 84.255 60.971 1.00 62.37 N ATOM 199 CA ASP A 176 -59.107 83.022 61.725 1.00 60.27 C ATOM 200 C ASP A 176 -58.115 81.947 61.296 1.00 62.70 C ATOM 201 O ASP A 176 -57.431 81.354 62.131 1.00 64.99 O ATOM 202 CB ASP A 176 -60.540 82.518 61.544 1.00 51.45 C ATOM 203 CG ASP A 176 -60.786 81.184 62.231 1.00 64.30 C ATOM 204 OD1 ASP A 176 -60.889 81.163 63.478 1.00 68.01 O ATOM 205 OD2 ASP A 176 -60.886 80.157 61.524 1.00 64.96 O ATOM 206 H ASP A 176 -59.687 84.613 60.378 1.00 0.00 H ATOM 207 N ALA A 177 -58.046 81.708 59.990 1.00 63.40 N ATOM 208 CA ALA A 177 -57.154 80.699 59.427 1.00 59.04 C ATOM 209 C ALA A 177 -55.692 80.969 59.773 1.00 54.19 C ATOM 210 O ALA A 177 -54.948 80.051 60.115 1.00 54.19 O ATOM 211 CB ALA A 177 -57.337 80.620 57.920 1.00 53.79 C ATOM 212 H ALA A 177 -58.649 82.260 59.347 1.00 0.00 H ATOM 213 N LEU A 178 -55.289 82.232 59.678 1.00 47.17 N ATOM 214 CA LEU A 178 -53.928 82.640 60.013 1.00 49.04 C ATOM 215 C LEU A 178 -53.608 82.398 61.487 1.00 65.34 C ATOM 216 O LEU A 178 -52.467 82.097 61.841 1.00 66.85 O ATOM 217 CB LEU A 178 -53.720 84.114 59.662 1.00 57.54 C ATOM 218 CG LEU A 178 -52.930 84.439 58.392 1.00 51.82 C ATOM 219 CD1 LEU A 178 -53.075 83.341 57.357 1.00 48.14 C ATOM 220 CD2 LEU A 178 -53.389 85.768 57.820 1.00 50.54 C ATOM 221 H LEU A 178 -55.965 82.953 59.355 1.00 0.00 H ATOM 222 N GLU A 179 -54.616 82.537 62.341 1.00 57.14 N ATOM 223 CA GLU A 179 -54.452 82.263 63.764 1.00 61.25 C ATOM 224 C GLU A 179 -54.288 80.769 64.010 1.00 71.96 C ATOM 225 O GLU A 179 -53.372 80.342 64.713 1.00 75.16 O ATOM 226 CB GLU A 179 -55.651 82.781 64.559 1.00 66.15 C ATOM 227 CG GLU A 179 -55.537 84.227 65.003 1.00 90.06 C ATOM 228 CD GLU A 179 -56.731 84.673 65.825 1.00103.28 C ATOM 229 OE1 GLU A 179 -56.812 85.875 66.156 1.00 96.97 O ATOM 230 OE2 GLU A 179 -57.589 83.820 66.138 1.00 98.90 O ATOM 231 H GLU A 179 -55.543 82.848 61.987 1.00 0.00 H ATOM 232 N LYS A 180 -55.186 79.984 63.424 1.00 52.20 N ATOM 233 CA LYS A 180 -55.188 78.539 63.608 1.00 54.43 C ATOM 234 C LYS A 180 -53.913 77.891 63.075 1.00 54.72 C ATOM 235 O LYS A 180 -53.430 76.906 63.633 1.00 63.17 O ATOM 236 CB LYS A 180 -56.426 77.922 62.956 1.00 46.06 C ATOM 237 CG LYS A 180 -57.725 78.453 63.532 1.00 43.19 C ATOM 238 CD LYS A 180 -58.928 77.667 63.053 1.00 54.42 C ATOM 239 CE LYS A 180 -60.163 78.050 63.852 1.00 53.02 C ATOM 240 NZ LYS A 180 -61.397 77.391 63.344 1.00 79.88 N ATOM 241 HZ1 LYS A 180 -61.555 77.670 62.355 1.00 0.00 H ATOM 242 HZ2 LYS A 180 -61.286 76.359 63.401 1.00 0.00 H ATOM 243 HZ3 LYS A 180 -62.209 77.685 63.923 1.00 0.00 H ATOM 244 H LYS A 180 -55.910 80.415 62.815 1.00 0.00 H ATOM 245 N ASN A 181 -53.366 78.450 62.000 1.00 54.59 N ATOM 246 CA ASN A 181 -52.100 77.965 61.463 1.00 56.17 C ATOM 247 C ASN A 181 -50.936 78.280 62.394 1.00 55.15 C ATOM 248 O ASN A 181 -49.993 77.497 62.506 1.00 60.14 O ATOM 249 CB ASN A 181 -51.839 78.541 60.072 1.00 39.48 C ATOM 250 CG ASN A 181 -52.800 78.005 59.035 1.00 46.57 C ATOM 251 OD1 ASN A 181 -53.495 77.020 59.274 1.00 44.83 O ATOM 252 ND2 ASN A 181 -52.841 78.646 57.874 1.00 50.22 N ATOM 253 HD22 ASN A 181 -52.234 79.476 57.716 1.00 0.00 H ATOM 254 HD21 ASN A 181 -53.480 78.319 57.122 1.00 0.00 H ATOM 255 H ASN A 181 -53.848 79.245 61.535 1.00 0.00 H ATOM 256 N GLN A 182 -51.006 79.429 63.059 1.00 52.19 N ATOM 257 CA GLN A 182 -49.981 79.811 64.020 1.00 49.06 C ATOM 258 C GLN A 182 -50.039 78.910 65.247 1.00 56.45 C ATOM 259 O GLN A 182 -49.006 78.520 65.792 1.00 55.57 O ATOM 260 CB GLN A 182 -50.136 81.277 64.430 1.00 42.98 C ATOM 261 CG GLN A 182 -49.088 81.756 65.427 1.00 59.26 C ATOM 262 CD GLN A 182 -47.673 81.689 64.877 1.00 58.28 C ATOM 263 OE1 GLN A 182 -47.465 81.625 63.665 1.00 70.19 O ATOM 264 NE2 GLN A 182 -46.692 81.706 65.772 1.00 67.96 N ATOM 265 HE22 GLN A 182 -46.915 81.761 66.786 1.00 0.00 H ATOM 266 HE21 GLN A 182 -45.701 81.664 65.458 1.00 0.00 H ATOM 267 H GLN A 182 -51.809 80.068 62.889 1.00 0.00 H ATOM 268 N GLN A 183 -51.254 78.581 65.674 1.00 49.46 N ATOM 269 CA GLN A 183 -51.452 77.664 66.787 1.00 45.25 C ATOM 270 C GLN A 183 -50.844 76.305 66.462 1.00 50.12 C ATOM 271 O GLN A 183 -50.208 75.682 67.312 1.00 53.30 O ATOM 272 CB GLN A 183 -52.941 77.510 67.097 1.00 48.23 C ATOM 273 CG GLN A 183 -53.623 78.783 67.570 1.00 45.67 C ATOM 274 CD GLN A 183 -55.109 78.590 67.809 1.00 60.74 C ATOM 275 OE1 GLN A 183 -55.656 77.516 67.560 1.00 57.60 O ATOM 276 NE2 GLN A 183 -55.770 79.634 68.294 1.00 69.73 N ATOM 277 HE22 GLN A 183 -55.267 80.523 68.490 1.00 0.00 H ATOM 278 HE21 GLN A 183 -56.791 79.563 68.478 1.00 0.00 H ATOM 279 H GLN A 183 -52.085 78.989 65.200 1.00 0.00 H ATOM 280 N TRP A 184 -51.043 75.857 65.226 1.00 46.98 N ATOM 281 CA TRP A 184 -50.470 74.601 64.756 1.00 40.85 C ATOM 282 C TRP A 184 -48.949 74.617 64.810 1.00 40.94 C ATOM 283 O TRP A 184 -48.326 73.617 65.164 1.00 46.88 O ATOM 284 CB TRP A 184 -50.925 74.298 63.328 1.00 39.17 C ATOM 285 CG TRP A 184 -52.203 73.533 63.258 1.00 39.25 C ATOM 286 CD1 TRP A 184 -53.397 73.973 62.770 1.00 52.67 C ATOM 287 CD2 TRP A 184 -52.416 72.188 63.694 1.00 39.30 C ATOM 288 NE1 TRP A 184 -54.343 72.981 62.872 1.00 50.32 N ATOM 289 CE2 TRP A 184 -53.766 71.875 63.438 1.00 41.45 C ATOM 290 CE3 TRP A 184 -51.597 71.216 64.276 1.00 39.85 C ATOM 291 CZ2 TRP A 184 -54.314 70.632 63.743 1.00 33.35 C ATOM 292 CZ3 TRP A 184 -52.142 69.984 64.578 1.00 38.26 C ATOM 293 CH2 TRP A 184 -53.488 69.702 64.312 1.00 40.51 C ATOM 294 HE1 TRP A 184 -55.335 73.058 62.569 1.00 0.00 H ATOM 295 H TRP A 184 -51.626 76.420 64.574 1.00 0.00 H ATOM 296 N LEU A 185 -48.358 75.752 64.454 1.00 38.07 N ATOM 297 CA LEU A 185 -46.907 75.886 64.459 1.00 47.11 C ATOM 298 C LEU A 185 -46.337 75.665 65.856 1.00 51.83 C ATOM 299 O LEU A 185 -45.405 74.883 66.036 1.00 61.97 O ATOM 300 CB LEU A 185 -46.487 77.258 63.933 1.00 40.85 C ATOM 301 CG LEU A 185 -44.976 77.482 63.870 1.00 41.92 C ATOM 302 CD1 LEU A 185 -44.321 76.430 62.991 1.00 59.49 C ATOM 303 CD2 LEU A 185 -44.654 78.876 63.367 1.00 37.99 C ATOM 304 H LEU A 185 -48.943 76.562 64.166 1.00 0.00 H ATOM 305 N VAL A 186 -46.906 76.354 66.841 1.00 49.16 N ATOM 306 CA VAL A 186 -46.469 76.226 68.226 1.00 46.76 C ATOM 307 C VAL A 186 -46.740 74.819 68.753 1.00 45.97 C ATOM 308 O VAL A 186 -45.866 74.191 69.354 1.00 41.92 O ATOM 309 CB VAL A 186 -47.171 77.255 69.133 1.00 52.47 C ATOM 310 CG1 VAL A 186 -46.813 77.013 70.591 1.00 47.79 C ATOM 311 CG2 VAL A 186 -46.803 78.671 68.715 1.00 37.43 C ATOM 312 H VAL A 186 -47.686 77.004 66.616 1.00 0.00 H ATOM 313 N TYR A 187 -47.957 74.339 68.518 1.00 37.83 N ATOM 314 CA TYR A 187 -48.361 72.985 68.884 1.00 31.16 C ATOM 315 C TYR A 187 -47.386 71.955 68.324 1.00 40.24 C ATOM 316 O TYR A 187 -47.066 70.971 68.989 1.00 47.71 O ATOM 317 CB TYR A 187 -49.777 72.714 68.365 1.00 43.46 C ATOM 318 CG TYR A 187 -50.337 71.333 68.646 1.00 37.96 C ATOM 319 CD1 TYR A 187 -51.063 71.077 69.801 1.00 39.08 C ATOM 320 CD2 TYR A 187 -50.170 70.296 67.737 1.00 41.64 C ATOM 321 CE1 TYR A 187 -51.591 69.821 70.051 1.00 48.74 C ATOM 322 CE2 TYR A 187 -50.692 69.040 67.979 1.00 32.13 C ATOM 323 CZ TYR A 187 -51.401 68.808 69.135 1.00 40.50 C ATOM 324 OH TYR A 187 -51.920 67.556 69.375 1.00 53.29 O ATOM 325 HH TYR A 187 -52.551 67.317 68.650 1.00 0.00 H ATOM 326 H TYR A 187 -48.653 74.956 68.052 1.00 0.00 H ATOM 327 N ASP A 188 -46.909 72.193 67.104 1.00 51.76 N ATOM 328 CA ASP A 188 -45.974 71.281 66.451 1.00 45.22 C ATOM 329 C ASP A 188 -44.564 71.403 67.018 1.00 45.49 C ATOM 330 O ASP A 188 -43.867 70.401 67.179 1.00 48.36 O ATOM 331 CB ASP A 188 -45.943 71.525 64.941 1.00 47.20 C ATOM 332 CG ASP A 188 -45.198 70.435 64.191 1.00 64.68 C ATOM 333 OD1 ASP A 188 -45.535 69.247 64.385 1.00 56.43 O ATOM 334 OD2 ASP A 188 -44.270 70.763 63.419 1.00 63.24 O ATOM 335 H ASP A 188 -47.211 73.052 66.602 1.00 0.00 H ATOM 336 N GLN A 189 -44.143 72.632 67.307 1.00 42.12 N ATOM 337 CA GLN A 189 -42.826 72.869 67.887 1.00 45.95 C ATOM 338 C GLN A 189 -42.671 72.114 69.201 1.00 44.71 C ATOM 339 O GLN A 189 -41.609 71.564 69.491 1.00 41.42 O ATOM 340 CB GLN A 189 -42.587 74.363 68.109 1.00 41.52 C ATOM 341 CG GLN A 189 -42.411 75.163 66.833 1.00 56.46 C ATOM 342 CD GLN A 189 -42.141 76.630 67.099 1.00 65.35 C ATOM 343 OE1 GLN A 189 -43.028 77.369 67.528 1.00 69.35 O ATOM 344 NE2 GLN A 189 -40.909 77.058 66.851 1.00 79.17 N ATOM 345 HE22 GLN A 189 -40.192 76.397 66.489 1.00 0.00 H ATOM 346 HE21 GLN A 189 -40.661 78.054 67.019 1.00 0.00 H ATOM 347 H GLN A 189 -44.767 73.441 67.115 1.00 0.00 H ATOM 348 N GLN A 190 -43.743 72.082 69.987 1.00 38.29 N ATOM 349 CA GLN A 190 -43.734 71.373 71.260 1.00 34.14 C ATOM 350 C GLN A 190 -43.667 69.861 71.058 1.00 40.95 C ATOM 351 O GLN A 190 -42.978 69.163 71.802 1.00 46.17 O ATOM 352 CB GLN A 190 -44.952 71.763 72.100 1.00 35.14 C ATOM 353 CG GLN A 190 -44.976 73.236 72.482 1.00 34.52 C ATOM 354 CD GLN A 190 -46.288 73.669 73.110 1.00 46.71 C ATOM 355 OE1 GLN A 190 -47.191 72.858 73.316 1.00 36.51 O ATOM 356 NE2 GLN A 190 -46.399 74.958 73.413 1.00 48.98 N ATOM 357 HE22 GLN A 190 -45.610 75.607 73.221 1.00 0.00 H ATOM 358 HE21 GLN A 190 -47.275 75.318 73.842 1.00 0.00 H ATOM 359 H GLN A 190 -44.608 72.575 69.686 1.00 0.00 H ATOM 360 N ARG A 191 -44.370 69.357 70.048 1.00 36.54 N ATOM 361 CA ARG A 191 -44.309 67.932 69.730 1.00 48.00 C ATOM 362 C ARG A 191 -42.900 67.542 69.294 1.00 37.44 C ATOM 363 O ARG A 191 -42.451 66.421 69.531 1.00 43.79 O ATOM 364 CB ARG A 191 -45.330 67.561 68.651 1.00 32.97 C ATOM 365 CG ARG A 191 -45.214 66.124 68.159 1.00 35.17 C ATOM 366 CD ARG A 191 -46.441 65.707 67.373 1.00 41.66 C ATOM 367 NE ARG A 191 -46.760 66.661 66.317 1.00 37.94 N ATOM 368 CZ ARG A 191 -47.929 66.710 65.687 1.00 44.39 C ATOM 369 NH1 ARG A 191 -48.895 65.860 66.007 1.00 42.37 N ATOM 370 NH2 ARG A 191 -48.134 67.614 64.741 1.00 46.67 N ATOM 371 HE ARG A 191 -46.027 67.345 66.040 1.00 0.00 H ATOM 372 HH12 ARG A 191 -49.809 65.901 65.512 1.00 0.00 H ATOM 373 HH11 ARG A 191 -48.739 65.152 66.753 1.00 0.00 H ATOM 374 HH22 ARG A 191 -49.049 67.652 64.248 1.00 0.00 H ATOM 375 HH21 ARG A 191 -47.380 68.285 64.491 1.00 0.00 H ATOM 376 H ARG A 191 -44.971 69.985 69.477 1.00 0.00 H ATOM 377 N GLU A 192 -42.199 68.480 68.669 1.00 34.70 N ATOM 378 CA GLU A 192 -40.821 68.245 68.259 1.00 37.34 C ATOM 379 C GLU A 192 -39.898 68.145 69.471 1.00 35.17 C ATOM 380 O GLU A 192 -38.967 67.340 69.485 1.00 42.78 O ATOM 381 CB GLU A 192 -40.346 69.331 67.292 1.00 33.06 C ATOM 382 CG GLU A 192 -40.895 69.175 65.882 1.00 38.43 C ATOM 383 CD GLU A 192 -40.505 67.849 65.246 1.00 53.99 C ATOM 384 OE1 GLU A 192 -39.299 67.518 65.245 1.00 53.95 O ATOM 385 OE2 GLU A 192 -41.407 67.136 64.755 1.00 41.89 O ATOM 386 H GLU A 192 -42.642 69.399 68.468 1.00 0.00 H ATOM 387 N VAL A 193 -40.165 68.962 70.486 1.00 40.64 N ATOM 388 CA VAL A 193 -39.441 68.879 71.753 1.00 43.79 C ATOM 389 C VAL A 193 -39.634 67.501 72.375 1.00 38.56 C ATOM 390 O VAL A 193 -38.682 66.880 72.850 1.00 37.40 O ATOM 391 CB VAL A 193 -39.913 69.958 72.749 1.00 34.12 C ATOM 392 CG1 VAL A 193 -39.464 69.617 74.161 1.00 32.43 C ATOM 393 CG2 VAL A 193 -39.403 71.330 72.331 1.00 27.10 C ATOM 394 H VAL A 193 -40.909 69.680 70.375 1.00 0.00 H ATOM 395 N TYR A 194 -40.875 67.024 72.358 1.00 30.97 N ATOM 396 CA TYR A 194 -41.183 65.688 72.848 1.00 30.10 C ATOM 397 C TYR A 194 -40.463 64.624 72.027 1.00 42.12 C ATOM 398 O TYR A 194 -39.876 63.693 72.582 1.00 34.96 O ATOM 399 CB TYR A 194 -42.691 65.434 72.817 1.00 35.79 C ATOM 400 CG TYR A 194 -43.090 64.145 73.494 1.00 38.85 C ATOM 401 CD1 TYR A 194 -43.060 64.032 74.876 1.00 25.71 C ATOM 402 CD2 TYR A 194 -43.491 63.041 72.754 1.00 29.45 C ATOM 403 CE1 TYR A 194 -43.417 62.857 75.506 1.00 33.96 C ATOM 404 CE2 TYR A 194 -43.855 61.860 73.376 1.00 33.48 C ATOM 405 CZ TYR A 194 -43.813 61.775 74.753 1.00 30.50 C ATOM 406 OH TYR A 194 -44.170 60.606 75.387 1.00 40.55 O ATOM 407 HH TYR A 194 -44.081 60.723 76.366 1.00 0.00 H ATOM 408 H TYR A 194 -41.643 67.619 71.986 1.00 0.00 H ATOM 409 N VAL A 195 -40.514 64.767 70.706 1.00 38.16 N ATOM 410 CA VAL A 195 -39.866 63.819 69.806 1.00 31.58 C ATOM 411 C VAL A 195 -38.369 63.722 70.089 1.00 36.98 C ATOM 412 O VAL A 195 -37.832 62.625 70.249 1.00 36.22 O ATOM 413 CB VAL A 195 -40.092 64.190 68.324 1.00 35.11 C ATOM 414 CG1 VAL A 195 -39.096 63.468 67.434 1.00 28.45 C ATOM 415 CG2 VAL A 195 -41.516 63.861 67.906 1.00 34.31 C ATOM 416 H VAL A 195 -41.029 65.576 70.304 1.00 0.00 H ATOM 417 N LYS A 196 -37.704 64.870 70.165 1.00 31.43 N ATOM 418 CA LYS A 196 -36.269 64.900 70.427 1.00 34.43 C ATOM 419 C LYS A 196 -35.924 64.226 71.754 1.00 37.33 C ATOM 420 O LYS A 196 -34.909 63.538 71.861 1.00 41.73 O ATOM 421 CB LYS A 196 -35.738 66.335 70.395 1.00 39.74 C ATOM 422 CG LYS A 196 -35.695 66.952 69.001 1.00 34.53 C ATOM 423 CD LYS A 196 -35.083 68.343 69.036 1.00 66.92 C ATOM 424 CE LYS A 196 -35.147 69.012 67.674 1.00 55.41 C ATOM 425 NZ LYS A 196 -34.326 68.292 66.664 1.00 96.32 N ATOM 426 HZ1 LYS A 196 -33.333 68.276 66.974 1.00 0.00 H ATOM 427 HZ2 LYS A 196 -34.676 67.317 66.566 1.00 0.00 H ATOM 428 HZ3 LYS A 196 -34.397 68.781 65.749 1.00 0.00 H ATOM 429 H LYS A 196 -38.217 65.765 70.035 1.00 0.00 H ATOM 430 N GLY A 197 -36.777 64.422 72.756 1.00 37.87 N ATOM 431 CA GLY A 197 -36.615 63.761 74.039 1.00 21.92 C ATOM 432 C GLY A 197 -36.768 62.259 73.901 1.00 34.30 C ATOM 433 O GLY A 197 -35.990 61.489 74.467 1.00 32.81 O ATOM 434 H GLY A 197 -37.582 65.066 72.617 1.00 0.00 H ATOM 435 N LEU A 198 -37.777 61.846 73.140 1.00 37.14 N ATOM 436 CA LEU A 198 -38.015 60.436 72.847 1.00 30.26 C ATOM 437 C LEU A 198 -36.795 59.794 72.194 1.00 39.11 C ATOM 438 O LEU A 198 -36.429 58.663 72.512 1.00 39.53 O ATOM 439 CB LEU A 198 -39.220 60.297 71.917 1.00 25.80 C ATOM 440 CG LEU A 198 -40.485 59.644 72.468 1.00 40.92 C ATOM 441 CD1 LEU A 198 -40.792 60.148 73.871 1.00 26.30 C ATOM 442 CD2 LEU A 198 -41.646 59.914 71.521 1.00 30.46 C ATOM 443 H LEU A 198 -38.422 62.556 72.738 1.00 0.00 H ATOM 444 N LEU A 199 -36.170 60.526 71.280 1.00 26.91 N ATOM 445 CA LEU A 199 -34.992 60.033 70.576 1.00 31.80 C ATOM 446 C LEU A 199 -33.773 59.962 71.492 1.00 43.75 C ATOM 447 O LEU A 199 -32.935 59.071 71.351 1.00 36.73 O ATOM 448 CB LEU A 199 -34.695 60.905 69.355 1.00 24.08 C ATOM 449 CG LEU A 199 -35.709 60.796 68.215 1.00 27.52 C ATOM 450 CD1 LEU A 199 -35.484 61.876 67.171 1.00 15.76 C ATOM 451 CD2 LEU A 199 -35.641 59.417 67.583 1.00 24.11 C ATOM 452 H LEU A 199 -36.530 61.477 71.060 1.00 0.00 H ATOM 453 N ALA A 200 -33.673 60.904 72.424 1.00 36.56 N ATOM 454 CA ALA A 200 -32.598 60.878 73.406 1.00 31.31 C ATOM 455 C ALA A 200 -32.767 59.653 74.294 1.00 33.94 C ATOM 456 O ALA A 200 -31.797 58.980 74.644 1.00 28.45 O ATOM 457 CB ALA A 200 -32.609 62.143 74.238 1.00 27.52 C ATOM 458 H ALA A 200 -34.374 61.672 72.453 1.00 0.00 H ATOM 459 N LYS A 201 -34.017 59.369 74.642 1.00 33.75 N ATOM 460 CA LYS A 201 -34.349 58.232 75.485 1.00 22.85 C ATOM 461 C LYS A 201 -33.985 56.920 74.802 1.00 32.62 C ATOM 462 O LYS A 201 -33.377 56.041 75.411 1.00 38.08 O ATOM 463 CB LYS A 201 -35.839 58.255 75.825 1.00 35.33 C ATOM 464 CG LYS A 201 -36.246 57.269 76.905 1.00 41.66 C ATOM 465 CD LYS A 201 -37.651 57.553 77.408 1.00 27.63 C ATOM 466 CE LYS A 201 -37.952 56.748 78.658 1.00 39.14 C ATOM 467 NZ LYS A 201 -39.277 57.090 79.242 1.00 40.21 N ATOM 468 HZ1 LYS A 201 -39.293 58.099 79.495 1.00 0.00 H ATOM 469 HZ2 LYS A 201 -40.023 56.895 78.544 1.00 0.00 H ATOM 470 HZ3 LYS A 201 -39.438 56.515 80.093 1.00 0.00 H ATOM 471 H LYS A 201 -34.785 59.981 74.300 1.00 0.00 H ATOM 472 N ILE A 202 -34.361 56.801 73.532 1.00 44.51 N ATOM 473 CA ILE A 202 -34.069 55.612 72.739 1.00 30.05 C ATOM 474 C ILE A 202 -32.565 55.373 72.631 1.00 34.76 C ATOM 475 O ILE A 202 -32.096 54.243 72.770 1.00 37.92 O ATOM 476 CB ILE A 202 -34.678 55.721 71.325 1.00 39.23 C ATOM 477 CG1 ILE A 202 -36.205 55.720 71.401 1.00 36.22 C ATOM 478 CG2 ILE A 202 -34.201 54.580 70.443 1.00 33.66 C ATOM 479 CD1 ILE A 202 -36.886 55.825 70.054 1.00 31.57 C ATOM 480 H ILE A 202 -34.882 57.584 73.088 1.00 0.00 H ATOM 481 N PHE A 203 -31.816 56.445 72.389 1.00 37.23 N ATOM 482 CA PHE A 203 -30.362 56.369 72.306 1.00 39.69 C ATOM 483 C PHE A 203 -29.771 55.769 73.578 1.00 42.92 C ATOM 484 O PHE A 203 -28.968 54.838 73.520 1.00 38.50 O ATOM 485 CB PHE A 203 -29.769 57.757 72.058 1.00 33.97 C ATOM 486 CG PHE A 203 -28.275 57.763 71.925 1.00 47.26 C ATOM 487 CD1 PHE A 203 -27.673 57.398 70.734 1.00 41.43 C ATOM 488 CD2 PHE A 203 -27.471 58.137 72.990 1.00 62.44 C ATOM 489 CE1 PHE A 203 -26.298 57.403 70.606 1.00 50.54 C ATOM 490 CE2 PHE A 203 -26.093 58.144 72.868 1.00 63.26 C ATOM 491 CZ PHE A 203 -25.507 57.776 71.673 1.00 41.01 C ATOM 492 H PHE A 203 -32.281 57.365 72.255 1.00 0.00 H ATOM 493 N GLU A 204 -30.182 56.306 74.722 1.00 35.90 N ATOM 494 CA GLU A 204 -29.713 55.829 76.017 1.00 42.98 C ATOM 495 C GLU A 204 -30.099 54.371 76.244 1.00 44.46 C ATOM 496 O GLU A 204 -29.272 53.547 76.639 1.00 42.74 O ATOM 497 CB GLU A 204 -30.290 56.699 77.133 1.00 37.89 C ATOM 498 CG GLU A 204 -29.243 57.223 78.082 1.00 45.71 C ATOM 499 CD GLU A 204 -28.072 57.831 77.347 1.00 40.72 C ATOM 500 OE1 GLU A 204 -26.938 57.346 77.537 1.00 48.40 O ATOM 501 OE2 GLU A 204 -28.288 58.788 76.574 1.00 36.22 O ATOM 502 H GLU A 204 -30.861 57.093 74.692 1.00 0.00 H ATOM 503 N LEU A 205 -31.367 54.070 75.986 1.00 35.49 N ATOM 504 CA LEU A 205 -31.915 52.727 76.120 1.00 31.13 C ATOM 505 C LEU A 205 -31.147 51.726 75.257 1.00 46.75 C ATOM 506 O LEU A 205 -31.019 50.553 75.611 1.00 47.69 O ATOM 507 CB LEU A 205 -33.389 52.748 75.707 1.00 36.42 C ATOM 508 CG LEU A 205 -34.457 52.135 76.612 1.00 32.94 C ATOM 509 CD1 LEU A 205 -33.984 52.072 78.048 1.00 35.51 C ATOM 510 CD2 LEU A 205 -35.749 52.935 76.511 1.00 35.00 C ATOM 511 H LEU A 205 -32.001 54.832 75.672 1.00 0.00 H ATOM 512 N GLU A 206 -30.633 52.199 74.126 1.00 49.13 N ATOM 513 CA GLU A 206 -29.925 51.338 73.184 1.00 51.74 C ATOM 514 C GLU A 206 -28.473 51.082 73.580 1.00 55.26 C ATOM 515 O GLU A 206 -27.776 50.300 72.935 1.00 63.35 O ATOM 516 CB GLU A 206 -29.997 51.919 71.769 1.00 42.45 C ATOM 517 CG GLU A 206 -30.967 51.186 70.860 1.00 47.33 C ATOM 518 CD GLU A 206 -31.343 51.987 69.628 1.00 65.86 C ATOM 519 OE1 GLU A 206 -30.713 53.037 69.377 1.00 57.93 O ATOM 520 OE2 GLU A 206 -32.278 51.565 68.913 1.00 53.70 O ATOM 521 H GLU A 206 -30.738 53.210 73.906 1.00 0.00 H ATOM 522 N LYS A 207 -28.016 51.743 74.638 1.00 50.03 N ATOM 523 CA LYS A 207 -26.666 51.513 75.132 1.00 53.37 C ATOM 524 C LYS A 207 -26.661 50.308 76.060 1.00 55.20 C ATOM 525 O LYS A 207 -25.624 49.689 76.291 1.00 59.20 O ATOM 526 CB LYS A 207 -26.136 52.741 75.868 1.00 37.48 C ATOM 527 CG LYS A 207 -25.955 53.968 74.996 1.00 55.20 C ATOM 528 CD LYS A 207 -25.313 55.093 75.789 1.00 57.52 C ATOM 529 CE LYS A 207 -23.915 54.711 76.247 1.00 84.97 C ATOM 530 NZ LYS A 207 -22.971 54.608 75.100 1.00 72.98 N ATOM 531 HZ1 LYS A 207 -23.310 53.881 74.438 1.00 0.00 H ATOM 532 HZ2 LYS A 207 -22.918 55.525 74.613 1.00 0.00 H ATOM 533 HZ3 LYS A 207 -22.028 54.346 75.451 1.00 0.00 H ATOM 534 H LYS A 207 -28.629 52.432 75.118 1.00 0.00 H ATOM 535 N LYS A 208 -27.833 49.977 76.587 1.00 52.76 N ATOM 536 CA LYS A 208 -27.972 48.836 77.476 1.00 60.70 C ATOM 537 C LYS A 208 -28.203 47.576 76.657 1.00 67.33 C ATOM 538 O LYS A 208 -28.084 46.460 77.163 1.00 79.82 O ATOM 539 CB LYS A 208 -29.121 49.074 78.449 1.00 54.71 C ATOM 540 CG LYS A 208 -29.153 50.501 78.963 1.00 50.35 C ATOM 541 CD LYS A 208 -30.057 50.651 80.167 1.00 57.22 C ATOM 542 CE LYS A 208 -29.302 51.269 81.332 1.00 58.89 C ATOM 543 NZ LYS A 208 -28.244 50.357 81.852 1.00 67.43 N ATOM 544 HZ1 LYS A 208 -28.681 49.471 82.178 1.00 0.00 H ATOM 545 HZ2 LYS A 208 -27.563 50.150 81.094 1.00 0.00 H ATOM 546 HZ3 LYS A 208 -27.752 50.815 82.646 1.00 0.00 H ATOM 547 H LYS A 208 -28.672 50.548 76.358 1.00 0.00 H ATOM 548 N THR A 209 -28.528 47.767 75.383 1.00 77.92 N ATOM 549 CA THR A 209 -28.674 46.655 74.456 1.00102.90 C ATOM 550 C THR A 209 -27.293 46.220 73.977 1.00123.42 C ATOM 551 O THR A 209 -27.105 45.089 73.528 1.00127.19 O ATOM 552 CB THR A 209 -29.570 47.029 73.248 1.00109.19 C ATOM 553 OG1 THR A 209 -30.407 45.918 72.908 1.00108.81 O ATOM 554 CG2 THR A 209 -28.732 47.425 72.031 1.00 96.54 C ATOM 555 HG1 THR A 209 -30.978 46.160 72.136 1.00 0.00 H ATOM 556 H THR A 209 -28.682 48.736 75.039 1.00 0.00 H ATOM 557 N GLU A 210 -26.328 47.129 74.091 1.00123.52 N ATOM 558 CA GLU A 210 -24.961 46.868 73.659 1.00118.58 C ATOM 559 C GLU A 210 -24.296 45.809 74.527 1.00 96.75 C ATOM 560 O GLU A 210 -23.606 46.131 75.491 1.00109.05 O ATOM 561 CB GLU A 210 -24.140 48.159 73.683 1.00118.43 C ATOM 562 CG GLU A 210 -24.479 49.123 72.560 1.00110.54 C ATOM 563 CD GLU A 210 -23.746 50.445 72.680 1.00111.76 C ATOM 564 OE1 GLU A 210 -22.991 50.625 73.661 1.00124.63 O ATOM 565 OE2 GLU A 210 -23.929 51.307 71.794 1.00 79.46 O ATOM 566 H GLU A 210 -26.557 48.056 74.502 1.00 0.00 H TER 567 GLU A 210 ATOM 568 N ALA B 156 -61.116 110.528 40.612 1.00100.36 N ATOM 569 CA ALA B 156 -60.189 109.404 40.650 1.00112.90 C ATOM 570 C ALA B 156 -60.732 108.251 41.492 1.00119.16 C ATOM 571 O ALA B 156 -60.892 108.372 42.708 1.00115.97 O ATOM 572 CB ALA B 156 -58.823 109.854 41.169 1.00 94.65 C ATOM 573 HN3 ALA B 156 -61.277 110.876 41.579 1.00 0.00 H ATOM 574 HN2 ALA B 156 -62.019 110.218 40.199 1.00 0.00 H ATOM 575 HN1 ALA B 156 -60.712 111.290 40.031 1.00 0.00 H ATOM 576 N MET B 157 -61.028 107.140 40.826 1.00107.62 N ATOM 577 CA MET B 157 -61.399 105.905 41.500 1.00 95.55 C ATOM 578 C MET B 157 -60.124 105.106 41.708 1.00106.90 C ATOM 579 O MET B 157 -60.158 103.975 42.196 1.00125.49 O ATOM 580 CB MET B 157 -62.376 105.093 40.648 1.00 95.26 C ATOM 581 CG MET B 157 -63.399 105.912 39.863 1.00 83.18 C ATOM 582 SD MET B 157 -64.934 106.342 40.719 1.00103.28 S ATOM 583 CE MET B 157 -64.404 107.734 41.712 1.00 85.59 C ATOM 584 H MET B 157 -60.993 107.154 39.787 1.00 0.00 H ATOM 585 N GLY B 158 -58.999 105.708 41.326 1.00112.02 N ATOM 586 CA GLY B 158 -57.693 105.095 41.482 1.00113.30 C ATOM 587 C GLY B 158 -57.470 104.626 42.904 1.00114.50 C ATOM 588 O GLY B 158 -56.806 103.618 43.140 1.00111.60 O ATOM 589 H GLY B 158 -59.059 106.654 40.899 1.00 0.00 H ATOM 590 N SER B 159 -58.041 105.360 43.854 1.00111.36 N ATOM 591 CA SER B 159 -58.011 104.953 45.250 1.00104.37 C ATOM 592 C SER B 159 -58.998 103.815 45.504 1.00 99.19 C ATOM 593 O SER B 159 -58.715 102.903 46.280 1.00 94.23 O ATOM 594 CB SER B 159 -58.322 106.136 46.164 1.00102.16 C ATOM 595 OG SER B 159 -58.086 105.797 47.518 1.00 91.55 O ATOM 596 HG SER B 159 -58.293 106.576 48.093 1.00 0.00 H ATOM 597 H SER B 159 -58.520 106.245 43.593 1.00 0.00 H ATOM 598 N PHE B 160 -60.157 103.874 44.855 1.00100.66 N ATOM 599 CA PHE B 160 -61.142 102.802 44.964 1.00 90.83 C ATOM 600 C PHE B 160 -60.667 101.560 44.219 1.00 92.01 C ATOM 601 O PHE B 160 -60.815 100.443 44.709 1.00 96.92 O ATOM 602 CB PHE B 160 -62.502 103.247 44.420 1.00 97.26 C ATOM 603 CG PHE B 160 -63.231 104.205 45.315 1.00 93.65 C ATOM 604 CD1 PHE B 160 -63.160 104.079 46.693 1.00 98.51 C ATOM 605 CD2 PHE B 160 -63.985 105.236 44.779 1.00 94.05 C ATOM 606 CE1 PHE B 160 -63.830 104.963 47.520 1.00 91.47 C ATOM 607 CE2 PHE B 160 -64.655 106.123 45.600 1.00 89.60 C ATOM 608 CZ PHE B 160 -64.579 105.986 46.972 1.00 84.59 C ATOM 609 H PHE B 160 -60.366 104.700 44.258 1.00 0.00 H ATOM 610 N ASN B 161 -60.097 101.764 43.035 1.00 95.69 N ATOM 611 CA ASN B 161 -59.576 100.664 42.230 1.00 87.22 C ATOM 612 C ASN B 161 -58.537 99.838 42.976 1.00 93.60 C ATOM 613 O ASN B 161 -58.605 98.612 42.984 1.00 96.17 O ATOM 614 CB ASN B 161 -58.980 101.179 40.918 1.00 96.51 C ATOM 615 CG ASN B 161 -60.038 101.563 39.905 1.00101.44 C ATOM 616 OD1 ASN B 161 -60.017 102.664 39.355 1.00105.49 O ATOM 617 ND2 ASN B 161 -60.969 100.651 39.647 1.00 97.26 N ATOM 618 HD22 ASN B 161 -60.948 99.733 40.136 1.00 0.00 H ATOM 619 HD21 ASN B 161 -61.719 100.855 38.956 1.00 0.00 H ATOM 620 H ASN B 161 -60.020 102.736 42.672 1.00 0.00 H ATOM 621 N SER B 162 -57.580 100.520 43.601 1.00 97.81 N ATOM 622 CA SER B 162 -56.527 99.856 44.364 1.00 91.45 C ATOM 623 C SER B 162 -57.113 99.053 45.515 1.00 86.50 C ATOM 624 O SER B 162 -56.639 97.959 45.827 1.00 92.79 O ATOM 625 CB SER B 162 -55.525 100.878 44.901 1.00 82.52 C ATOM 626 OG SER B 162 -56.169 101.837 45.720 1.00 97.64 O ATOM 627 HG SER B 162 -56.856 102.313 45.190 1.00 0.00 H ATOM 628 H SER B 162 -57.582 101.558 43.544 1.00 0.00 H ATOM 629 N SER B 163 -58.143 99.607 46.145 1.00 82.09 N ATOM 630 CA SER B 163 -58.849 98.907 47.209 1.00 84.99 C ATOM 631 C SER B 163 -59.450 97.604 46.690 1.00 87.08 C ATOM 632 O SER B 163 -59.479 96.606 47.403 1.00 97.38 O ATOM 633 CB SER B 163 -59.940 99.793 47.819 1.00 76.51 C ATOM 634 OG SER B 163 -59.384 100.785 48.666 1.00 81.58 O ATOM 635 HG SER B 163 -58.769 101.357 48.142 1.00 0.00 H ATOM 636 H SER B 163 -58.452 100.562 45.872 1.00 0.00 H ATOM 637 N ILE B 164 -59.906 97.612 45.441 1.00 91.24 N ATOM 638 CA ILE B 164 -60.542 96.434 44.851 1.00 85.11 C ATOM 639 C ILE B 164 -59.602 95.224 44.714 1.00 81.54 C ATOM 640 O ILE B 164 -59.999 94.101 45.038 1.00 97.38 O ATOM 641 CB ILE B 164 -61.237 96.760 43.500 1.00 78.18 C ATOM 642 CG1 ILE B 164 -62.731 97.019 43.708 1.00 73.49 C ATOM 643 CG2 ILE B 164 -61.086 95.619 42.514 1.00 76.98 C ATOM 644 CD1 ILE B 164 -63.062 98.316 44.405 1.00 77.34 C ATOM 645 H ILE B 164 -59.808 98.476 44.870 1.00 0.00 H ATOM 646 N ASN B 165 -58.368 95.443 44.248 1.00 75.53 N ATOM 647 CA ASN B 165 -57.406 94.335 44.141 1.00 91.18 C ATOM 648 C ASN B 165 -56.740 93.934 45.462 1.00 94.16 C ATOM 649 O ASN B 165 -56.277 92.799 45.599 1.00103.55 O ATOM 650 CB ASN B 165 -56.353 94.516 43.020 1.00 90.14 C ATOM 651 CG ASN B 165 -56.218 95.950 42.541 1.00104.89 C ATOM 652 OD1 ASN B 165 -56.575 96.890 43.242 1.00111.60 O ATOM 653 ND2 ASN B 165 -55.680 96.120 41.335 1.00 99.68 N ATOM 654 HD22 ASN B 165 -55.391 95.294 40.773 1.00 0.00 H ATOM 655 HD21 ASN B 165 -55.549 97.079 40.955 1.00 0.00 H ATOM 656 H ASN B 165 -58.087 96.402 43.960 1.00 0.00 H ATOM 657 N ASN B 166 -56.687 94.849 46.428 1.00 84.78 N ATOM 658 CA ASN B 166 -56.255 94.475 47.768 1.00 86.23 C ATOM 659 C ASN B 166 -57.227 93.413 48.271 1.00 90.50 C ATOM 660 O ASN B 166 -56.826 92.420 48.877 1.00101.81 O ATOM 661 CB ASN B 166 -56.224 95.688 48.701 1.00 80.58 C ATOM 662 CG ASN B 166 -54.957 95.746 49.549 1.00 82.88 C ATOM 663 OD1 ASN B 166 -53.924 95.182 49.188 1.00 80.66 O ATOM 664 ND2 ASN B 166 -55.035 96.437 50.679 1.00 95.11 N ATOM 665 HD22 ASN B 166 -55.928 96.898 50.946 1.00 0.00 H ATOM 666 HD21 ASN B 166 -54.203 96.518 51.298 1.00 0.00 H ATOM 667 H ASN B 166 -56.955 95.833 46.225 1.00 0.00 H ATOM 668 N ILE B 167 -58.508 93.620 47.975 1.00 72.88 N ATOM 669 CA ILE B 167 -59.533 92.609 48.204 1.00 78.40 C ATOM 670 C ILE B 167 -59.243 91.345 47.392 1.00 71.47 C ATOM 671 O ILE B 167 -59.402 90.232 47.894 1.00 84.01 O ATOM 672 CB ILE B 167 -60.941 93.137 47.848 1.00 79.56 C ATOM 673 CG1 ILE B 167 -61.280 94.365 48.692 1.00 67.04 C ATOM 674 CG2 ILE B 167 -61.991 92.054 48.038 1.00 65.05 C ATOM 675 CD1 ILE B 167 -61.095 94.149 50.168 1.00 84.59 C ATOM 676 H ILE B 167 -58.787 94.535 47.566 1.00 0.00 H ATOM 677 N HIS B 168 -58.817 91.517 46.142 1.00 76.83 N ATOM 678 CA HIS B 168 -58.455 90.375 45.302 1.00 86.83 C ATOM 679 C HIS B 168 -57.291 89.614 45.925 1.00 89.75 C ATOM 680 O HIS B 168 -57.295 88.384 45.973 1.00 86.74 O ATOM 681 CB HIS B 168 -58.096 90.824 43.881 1.00 88.60 C ATOM 682 CG HIS B 168 -57.851 89.693 42.931 1.00107.17 C ATOM 683 ND1 HIS B 168 -56.692 89.576 42.190 1.00 95.80 N ATOM 684 CD2 HIS B 168 -58.616 88.627 42.597 1.00105.38 C ATOM 685 CE1 HIS B 168 -56.756 88.490 41.443 1.00 92.21 C ATOM 686 NE2 HIS B 168 -57.914 87.894 41.672 1.00101.42 N ATOM 687 H HIS B 168 -58.740 92.480 45.756 1.00 0.00 H ATOM 688 N GLU B 169 -56.300 90.357 46.409 1.00 85.89 N ATOM 689 CA GLU B 169 -55.159 89.763 47.094 1.00 85.90 C ATOM 690 C GLU B 169 -55.582 89.081 48.391 1.00 84.96 C ATOM 691 O GLU B 169 -55.037 88.041 48.761 1.00 78.95 O ATOM 692 CB GLU B 169 -54.101 90.827 47.402 1.00 79.23 C ATOM 693 CG GLU B 169 -52.823 90.706 46.583 1.00106.39 C ATOM 694 CD GLU B 169 -51.902 89.589 47.058 1.00107.19 C ATOM 695 OE1 GLU B 169 -50.733 89.562 46.618 1.00108.66 O ATOM 696 OE2 GLU B 169 -52.338 88.741 47.866 1.00106.03 O ATOM 697 H GLU B 169 -56.340 91.390 46.296 1.00 0.00 H ATOM 698 N MET B 170 -56.555 89.673 49.078 1.00 85.42 N ATOM 699 CA MET B 170 -57.004 89.170 50.375 1.00 75.67 C ATOM 700 C MET B 170 -57.571 87.758 50.265 1.00 73.66 C ATOM 701 O MET B 170 -57.468 86.954 51.193 1.00 86.51 O ATOM 702 CB MET B 170 -58.051 90.108 50.979 1.00 64.78 C ATOM 703 CG MET B 170 -58.304 89.857 52.453 1.00 72.82 C ATOM 704 SD MET B 170 -59.726 90.749 53.106 1.00 85.87 S ATOM 705 CE MET B 170 -61.065 89.914 52.262 1.00 74.09 C ATOM 706 H MET B 170 -57.010 90.519 48.680 1.00 0.00 H ATOM 707 N GLU B 171 -58.150 87.473 49.103 1.00 75.33 N ATOM 708 CA GLU B 171 -58.805 86.206 48.809 1.00 84.68 C ATOM 709 C GLU B 171 -57.820 85.253 48.121 1.00 75.96 C ATOM 710 O GLU B 171 -58.093 84.059 47.972 1.00 72.33 O ATOM 711 CB GLU B 171 -60.042 86.487 47.947 1.00 71.92 C ATOM 712 CG GLU B 171 -60.669 85.320 47.206 1.00 91.36 C ATOM 713 CD GLU B 171 -61.186 85.732 45.840 1.00113.87 C ATOM 714 OE1 GLU B 171 -60.710 86.755 45.304 1.00118.40 O ATOM 715 OE2 GLU B 171 -62.064 85.032 45.302 1.00112.77 O ATOM 716 H GLU B 171 -58.134 88.199 48.358 1.00 0.00 H ATOM 717 N ILE B 172 -56.669 85.782 47.709 1.00 72.89 N ATOM 718 CA ILE B 172 -55.527 84.928 47.400 1.00 72.13 C ATOM 719 C ILE B 172 -54.955 84.415 48.717 1.00 71.23 C ATOM 720 O ILE B 172 -54.925 83.209 48.962 1.00 83.63 O ATOM 721 CB ILE B 172 -54.408 85.665 46.625 1.00 79.14 C ATOM 722 CG1 ILE B 172 -54.901 86.111 45.243 1.00 84.06 C ATOM 723 CG2 ILE B 172 -53.161 84.778 46.504 1.00 61.89 C ATOM 724 CD1 ILE B 172 -53.809 86.200 44.190 1.00 75.77 C ATOM 725 H ILE B 172 -56.584 86.813 47.607 1.00 0.00 H ATOM 726 N GLN B 173 -54.517 85.346 49.563 1.00 62.98 N ATOM 727 CA GLN B 173 -53.946 85.020 50.870 1.00 71.06 C ATOM 728 C GLN B 173 -54.870 84.135 51.707 1.00 69.74 C ATOM 729 O GLN B 173 -54.403 83.304 52.486 1.00 68.07 O ATOM 730 CB GLN B 173 -53.589 86.296 51.641 1.00 53.72 C ATOM 731 CG GLN B 173 -52.484 87.123 51.000 1.00 55.46 C ATOM 732 CD GLN B 173 -52.120 88.353 51.811 1.00 66.54 C ATOM 733 OE1 GLN B 173 -52.619 88.552 52.919 1.00 71.99 O ATOM 734 NE2 GLN B 173 -51.245 89.186 51.261 1.00 74.87 N ATOM 735 HE22 GLN B 173 -50.849 88.978 50.322 1.00 0.00 H ATOM 736 HE21 GLN B 173 -50.956 90.046 51.769 1.00 0.00 H ATOM 737 H GLN B 173 -54.584 86.345 49.283 1.00 0.00 H ATOM 738 N LEU B 174 -56.177 84.316 51.541 1.00 63.32 N ATOM 739 CA LEU B 174 -57.154 83.460 52.204 1.00 62.71 C ATOM 740 C LEU B 174 -57.080 82.040 51.664 1.00 59.76 C ATOM 741 O LEU B 174 -56.939 81.080 52.423 1.00 73.56 O ATOM 742 CB LEU B 174 -58.570 83.999 52.014 1.00 57.69 C ATOM 743 CG LEU B 174 -59.658 83.013 52.446 1.00 62.06 C ATOM 744 CD1 LEU B 174 -59.609 82.774 53.947 1.00 73.66 C ATOM 745 CD2 LEU B 174 -61.033 83.487 52.021 1.00 66.59 C ATOM 746 H LEU B 174 -56.510 85.085 50.925 1.00 0.00 H ATOM 747 N LYS B 175 -57.188 81.924 50.344 1.00 64.73 N ATOM 748 CA LYS B 175 -57.105 80.644 49.657 1.00 65.57 C ATOM 749 C LYS B 175 -55.819 79.926 50.040 1.00 66.84 C ATOM 750 O LYS B 175 -55.803 78.712 50.236 1.00 69.26 O ATOM 751 CB LYS B 175 -57.135 80.868 48.146 1.00 63.92 C ATOM 752 CG LYS B 175 -57.263 79.596 47.332 1.00 76.64 C ATOM 753 CD LYS B 175 -56.587 79.736 45.981 1.00 91.93 C ATOM 754 CE LYS B 175 -56.620 78.425 45.214 1.00102.60 C ATOM 755 NZ LYS B 175 -55.688 78.444 44.052 1.00 96.13 N ATOM 756 HZ1 LYS B 175 -55.960 79.211 43.404 1.00 0.00 H ATOM 757 HZ2 LYS B 175 -54.717 78.602 44.390 1.00 0.00 H ATOM 758 HZ3 LYS B 175 -55.739 77.533 43.554 1.00 0.00 H ATOM 759 H LYS B 175 -57.338 82.784 49.779 1.00 0.00 H ATOM 760 N ASP B 176 -54.747 80.700 50.160 1.00 65.63 N ATOM 761 CA ASP B 176 -53.429 80.167 50.470 1.00 67.87 C ATOM 762 C ASP B 176 -53.323 79.703 51.922 1.00 74.95 C ATOM 763 O ASP B 176 -52.572 78.780 52.233 1.00 77.82 O ATOM 764 CB ASP B 176 -52.367 81.227 50.178 1.00 73.41 C ATOM 765 CG ASP B 176 -51.063 80.626 49.704 1.00 98.26 C ATOM 766 OD1 ASP B 176 -50.972 80.279 48.507 1.00 98.81 O ATOM 767 OD2 ASP B 176 -50.128 80.505 50.523 1.00 96.08 O ATOM 768 H ASP B 176 -54.853 81.726 50.027 1.00 0.00 H ATOM 769 N ALA B 177 -54.075 80.349 52.807 1.00 59.83 N ATOM 770 CA ALA B 177 -54.055 80.004 54.224 1.00 51.41 C ATOM 771 C ALA B 177 -54.803 78.703 54.481 1.00 58.86 C ATOM 772 O ALA B 177 -54.410 77.903 55.331 1.00 65.72 O ATOM 773 CB ALA B 177 -54.660 81.126 55.046 1.00 47.62 C ATOM 774 H ALA B 177 -54.693 81.119 52.481 1.00 0.00 H ATOM 775 N LEU B 178 -55.887 78.501 53.742 1.00 51.68 N ATOM 776 CA LEU B 178 -56.711 77.313 53.906 1.00 55.09 C ATOM 777 C LEU B 178 -55.999 76.075 53.374 1.00 55.51 C ATOM 778 O LEU B 178 -56.075 75.002 53.973 1.00 60.73 O ATOM 779 CB LEU B 178 -58.053 77.506 53.207 1.00 54.15 C ATOM 780 CG LEU B 178 -58.871 78.683 53.738 1.00 63.26 C ATOM 781 CD1 LEU B 178 -60.098 78.912 52.876 1.00 45.16 C ATOM 782 CD2 LEU B 178 -59.267 78.447 55.186 1.00 42.62 C ATOM 783 H LEU B 178 -56.154 79.209 53.028 1.00 0.00 H ATOM 784 N GLU B 179 -55.309 76.230 52.246 1.00 60.77 N ATOM 785 CA GLU B 179 -54.483 75.159 51.697 1.00 71.75 C ATOM 786 C GLU B 179 -53.428 74.766 52.722 1.00 61.24 C ATOM 787 O GLU B 179 -53.182 73.586 52.960 1.00 56.17 O ATOM 788 CB GLU B 179 -53.809 75.601 50.396 1.00 54.80 C ATOM 789 CG GLU B 179 -54.764 75.848 49.239 1.00 98.23 C ATOM 790 CD GLU B 179 -54.039 76.275 47.975 1.00 98.08 C ATOM 791 OE1 GLU B 179 -53.757 75.402 47.126 1.00101.95 O ATOM 792 OE2 GLU B 179 -53.748 77.482 47.834 1.00 88.43 O ATOM 793 H GLU B 179 -55.360 77.139 51.742 1.00 0.00 H ATOM 794 N LYS B 180 -52.819 75.777 53.328 1.00 48.50 N ATOM 795 CA LYS B 180 -51.861 75.582 54.401 1.00 43.64 C ATOM 796 C LYS B 180 -52.493 74.834 55.566 1.00 55.02 C ATOM 797 O LYS B 180 -51.964 73.819 56.026 1.00 53.98 O ATOM 798 CB LYS B 180 -51.395 76.934 54.910 1.00 56.96 C ATOM 799 CG LYS B 180 -49.913 77.031 55.062 1.00 61.78 C ATOM 800 CD LYS B 180 -49.274 77.217 53.710 1.00 70.46 C ATOM 801 CE LYS B 180 -48.633 78.584 53.649 1.00 87.29 C ATOM 802 NZ LYS B 180 -47.965 78.852 54.963 1.00111.00 N ATOM 803 HZ1 LYS B 180 -48.674 78.825 55.723 1.00 0.00 H ATOM 804 HZ2 LYS B 180 -47.241 78.126 55.137 1.00 0.00 H ATOM 805 HZ3 LYS B 180 -47.518 79.791 54.938 1.00 0.00 H ATOM 806 H LYS B 180 -53.036 76.747 53.022 1.00 0.00 H ATOM 807 N ASN B 181 -53.621 75.354 56.043 1.00 56.31 N ATOM 808 CA ASN B 181 -54.336 74.760 57.164 1.00 53.56 C ATOM 809 C ASN B 181 -54.687 73.309 56.893 1.00 51.25 C ATOM 810 O ASN B 181 -54.713 72.482 57.805 1.00 61.45 O ATOM 811 CB ASN B 181 -55.602 75.561 57.457 1.00 48.92 C ATOM 812 CG ASN B 181 -56.318 75.087 58.711 1.00 45.12 C ATOM 813 OD1 ASN B 181 -57.241 74.275 58.645 1.00 46.36 O ATOM 814 ND2 ASN B 181 -55.896 75.597 59.861 1.00 53.17 N ATOM 815 HD22 ASN B 181 -55.112 76.281 59.870 1.00 0.00 H ATOM 816 HD21 ASN B 181 -56.349 75.313 60.753 1.00 0.00 H ATOM 817 H ASN B 181 -54.005 76.213 55.601 1.00 0.00 H ATOM 818 N GLN B 182 -54.957 73.005 55.629 1.00 54.19 N ATOM 819 CA GLN B 182 -55.183 71.632 55.225 1.00 55.95 C ATOM 820 C GLN B 182 -53.895 70.827 55.348 1.00 55.12 C ATOM 821 O GLN B 182 -53.923 69.675 55.771 1.00 52.89 O ATOM 822 CB GLN B 182 -55.722 71.565 53.798 1.00 61.39 C ATOM 823 CG GLN B 182 -56.089 70.159 53.363 1.00 81.80 C ATOM 824 CD GLN B 182 -57.082 69.501 54.306 1.00 91.83 C ATOM 825 OE1 GLN B 182 -58.005 70.147 54.806 1.00 78.59 O ATOM 826 NE2 GLN B 182 -56.892 68.211 54.557 1.00 78.51 N ATOM 827 HE22 GLN B 182 -56.099 67.706 54.112 1.00 0.00 H ATOM 828 HE21 GLN B 182 -57.536 67.706 55.198 1.00 0.00 H ATOM 829 H GLN B 182 -55.007 73.763 54.919 1.00 0.00 H ATOM 830 N GLN B 183 -52.769 71.440 54.988 1.00 47.57 N ATOM 831 CA GLN B 183 -51.470 70.778 55.087 1.00 44.83 C ATOM 832 C GLN B 183 -51.109 70.435 56.528 1.00 54.26 C ATOM 833 O GLN B 183 -50.497 69.401 56.789 1.00 61.09 O ATOM 834 CB GLN B 183 -50.365 71.627 54.453 1.00 56.29 C ATOM 835 CG GLN B 183 -50.456 71.708 52.945 1.00 47.83 C ATOM 836 CD GLN B 183 -50.648 70.348 52.313 1.00 55.74 C ATOM 837 OE1 GLN B 183 -49.735 69.526 52.294 1.00 55.50 O ATOM 838 NE2 GLN B 183 -51.848 70.097 51.803 1.00 47.45 N ATOM 839 HE22 GLN B 183 -52.592 70.823 51.841 1.00 0.00 H ATOM 840 HE21 GLN B 183 -52.044 69.174 51.365 1.00 0.00 H ATOM 841 H GLN B 183 -52.815 72.414 54.627 1.00 0.00 H ATOM 842 N TRP B 184 -51.490 71.306 57.458 1.00 53.28 N ATOM 843 CA TRP B 184 -51.256 71.056 58.876 1.00 40.47 C ATOM 844 C TRP B 184 -51.982 69.800 59.344 1.00 45.57 C ATOM 845 O TRP B 184 -51.423 68.983 60.076 1.00 49.12 O ATOM 846 CB TRP B 184 -51.686 72.262 59.716 1.00 40.37 C ATOM 847 CG TRP B 184 -50.687 73.376 59.709 1.00 39.96 C ATOM 848 CD1 TRP B 184 -50.839 74.616 59.160 1.00 51.01 C ATOM 849 CD2 TRP B 184 -49.372 73.346 60.274 1.00 38.04 C ATOM 850 NE1 TRP B 184 -49.700 75.361 59.352 1.00 44.19 N ATOM 851 CE2 TRP B 184 -48.784 74.603 60.032 1.00 39.37 C ATOM 852 CE3 TRP B 184 -48.634 72.377 60.961 1.00 41.05 C ATOM 853 CZ2 TRP B 184 -47.493 74.916 60.453 1.00 44.80 C ATOM 854 CZ3 TRP B 184 -47.354 72.690 61.378 1.00 36.64 C ATOM 855 CH2 TRP B 184 -46.797 73.949 61.123 1.00 41.33 C ATOM 856 HE1 TRP B 184 -49.557 76.340 59.033 1.00 0.00 H ATOM 857 H TRP B 184 -51.965 72.184 57.168 1.00 0.00 H ATOM 858 N LEU B 185 -53.227 69.652 58.905 1.00 40.88 N ATOM 859 CA LEU B 185 -54.065 68.522 59.295 1.00 38.08 C ATOM 860 C LEU B 185 -53.484 67.169 58.874 1.00 45.77 C ATOM 861 O LEU B 185 -53.515 66.211 59.647 1.00 55.39 O ATOM 862 CB LEU B 185 -55.482 68.696 58.739 1.00 47.75 C ATOM 863 CG LEU B 185 -56.515 69.402 59.626 1.00 43.85 C ATOM 864 CD1 LEU B 185 -56.024 70.757 60.105 1.00 50.30 C ATOM 865 CD2 LEU B 185 -57.839 69.548 58.891 1.00 50.56 C ATOM 866 H LEU B 185 -53.619 70.367 58.260 1.00 0.00 H ATOM 867 N VAL B 186 -52.961 67.087 57.654 1.00 51.10 N ATOM 868 CA VAL B 186 -52.313 65.860 57.195 1.00 54.05 C ATOM 869 C VAL B 186 -50.972 65.654 57.903 1.00 51.92 C ATOM 870 O VAL B 186 -50.625 64.533 58.282 1.00 59.74 O ATOM 871 CB VAL B 186 -52.143 65.825 55.650 1.00 57.81 C ATOM 872 CG1 VAL B 186 -52.186 67.217 55.074 1.00 65.16 C ATOM 873 CG2 VAL B 186 -50.852 65.120 55.249 1.00 64.08 C ATOM 874 H VAL B 186 -53.014 67.908 57.017 1.00 0.00 H ATOM 875 N TYR B 187 -50.235 66.745 58.097 1.00 38.42 N ATOM 876 CA TYR B 187 -48.951 66.698 58.793 1.00 38.57 C ATOM 877 C TYR B 187 -49.113 66.215 60.232 1.00 48.13 C ATOM 878 O TYR B 187 -48.288 65.453 60.738 1.00 49.32 O ATOM 879 CB TYR B 187 -48.285 68.075 58.778 1.00 32.12 C ATOM 880 CG TYR B 187 -46.891 68.094 59.368 1.00 39.74 C ATOM 881 CD1 TYR B 187 -45.809 67.591 58.658 1.00 40.33 C ATOM 882 CD2 TYR B 187 -46.654 68.626 60.628 1.00 43.03 C ATOM 883 CE1 TYR B 187 -44.532 67.609 59.187 1.00 37.73 C ATOM 884 CE2 TYR B 187 -45.376 68.650 61.168 1.00 48.55 C ATOM 885 CZ TYR B 187 -44.319 68.138 60.441 1.00 49.97 C ATOM 886 OH TYR B 187 -43.047 68.156 60.969 1.00 56.57 O ATOM 887 HH TYR B 187 -42.416 67.754 60.321 1.00 0.00 H ATOM 888 H TYR B 187 -50.583 67.659 57.743 1.00 0.00 H ATOM 889 N ASP B 188 -50.179 66.669 60.884 1.00 47.53 N ATOM 890 CA ASP B 188 -50.492 66.256 62.248 1.00 48.52 C ATOM 891 C ASP B 188 -50.694 64.749 62.310 1.00 43.23 C ATOM 892 O ASP B 188 -50.177 64.071 63.198 1.00 52.56 O ATOM 893 CB ASP B 188 -51.756 66.966 62.734 1.00 49.62 C ATOM 894 CG ASP B 188 -52.225 66.463 64.084 1.00 50.55 C ATOM 895 OD1 ASP B 188 -51.620 66.853 65.105 1.00 58.40 O ATOM 896 OD2 ASP B 188 -53.199 65.681 64.125 1.00 53.09 O ATOM 897 H ASP B 188 -50.812 67.342 60.405 1.00 0.00 H ATOM 898 N GLN B 189 -51.452 64.244 61.345 1.00 41.31 N ATOM 899 CA GLN B 189 -51.773 62.828 61.240 1.00 48.59 C ATOM 900 C GLN B 189 -50.518 61.990 61.031 1.00 46.69 C ATOM 901 O GLN B 189 -50.407 60.878 61.548 1.00 45.99 O ATOM 902 CB GLN B 189 -52.732 62.624 60.070 1.00 48.58 C ATOM 903 CG GLN B 189 -53.324 61.240 59.953 1.00 65.75 C ATOM 904 CD GLN B 189 -54.183 61.093 58.710 1.00101.27 C ATOM 905 OE1 GLN B 189 -54.427 62.064 57.992 1.00 88.92 O ATOM 906 NE2 GLN B 189 -54.641 59.874 58.448 1.00 89.87 N ATOM 907 HE22 GLN B 189 -54.409 59.084 59.083 1.00 0.00 H ATOM 908 HE21 GLN B 189 -55.232 59.710 57.608 1.00 0.00 H ATOM 909 H GLN B 189 -51.836 64.892 60.628 1.00 0.00 H ATOM 910 N GLN B 190 -49.574 62.527 60.266 1.00 40.09 N ATOM 911 CA GLN B 190 -48.337 61.813 59.981 1.00 48.10 C ATOM 912 C GLN B 190 -47.386 61.843 61.175 1.00 43.96 C ATOM 913 O GLN B 190 -46.688 60.865 61.439 1.00 44.01 O ATOM 914 CB GLN B 190 -47.650 62.377 58.732 1.00 44.37 C ATOM 915 CG GLN B 190 -48.395 62.108 57.431 1.00 40.72 C ATOM 916 CD GLN B 190 -48.570 60.626 57.150 1.00 66.68 C ATOM 917 OE1 GLN B 190 -49.615 60.046 57.445 1.00 66.76 O ATOM 918 NE2 GLN B 190 -47.544 60.006 56.573 1.00 80.92 N ATOM 919 HE22 GLN B 190 -46.680 60.536 56.341 1.00 0.00 H ATOM 920 HE21 GLN B 190 -47.606 58.991 56.354 1.00 0.00 H ATOM 921 H GLN B 190 -49.721 63.475 59.863 1.00 0.00 H ATOM 922 N ARG B 191 -47.361 62.959 61.898 1.00 41.39 N ATOM 923 CA ARG B 191 -46.457 63.091 63.041 1.00 39.15 C ATOM 924 C ARG B 191 -46.887 62.246 64.237 1.00 40.74 C ATOM 925 O ARG B 191 -46.044 61.724 64.963 1.00 40.10 O ATOM 926 CB ARG B 191 -46.287 64.555 63.457 1.00 34.01 C ATOM 927 CG ARG B 191 -45.498 65.388 62.463 1.00 39.21 C ATOM 928 CD ARG B 191 -44.243 64.662 61.998 1.00 43.25 C ATOM 929 NE ARG B 191 -43.085 64.911 62.854 1.00 36.44 N ATOM 930 CZ ARG B 191 -41.911 64.301 62.716 1.00 45.19 C ATOM 931 NH1 ARG B 191 -41.741 63.397 61.761 1.00 31.66 N ATOM 932 NH2 ARG B 191 -40.908 64.590 63.535 1.00 33.63 N ATOM 933 HE ARG B 191 -43.185 65.609 63.619 1.00 0.00 H ATOM 934 HH12 ARG B 191 -40.823 62.920 61.654 1.00 0.00 H ATOM 935 HH11 ARG B 191 -42.526 63.165 61.119 1.00 0.00 H ATOM 936 HH22 ARG B 191 -39.992 64.111 63.424 1.00 0.00 H ATOM 937 HH21 ARG B 191 -41.038 65.295 64.288 1.00 0.00 H ATOM 938 H ARG B 191 -47.992 63.747 61.648 1.00 0.00 H ATOM 939 N GLU B 192 -48.194 62.117 64.442 1.00 35.63 N ATOM 940 CA GLU B 192 -48.705 61.279 65.520 1.00 35.20 C ATOM 941 C GLU B 192 -48.326 59.817 65.299 1.00 34.11 C ATOM 942 O GLU B 192 -47.991 59.108 66.247 1.00 53.11 O ATOM 943 CB GLU B 192 -50.220 61.435 65.673 1.00 35.88 C ATOM 944 CG GLU B 192 -50.643 62.746 66.329 1.00 54.58 C ATOM 945 CD GLU B 192 -49.989 62.967 67.685 1.00 49.29 C ATOM 946 OE1 GLU B 192 -50.386 62.294 68.658 1.00 71.10 O ATOM 947 OE2 GLU B 192 -49.077 63.818 67.779 1.00 43.84 O ATOM 948 H GLU B 192 -48.862 62.621 63.824 1.00 0.00 H ATOM 949 N VAL B 193 -48.371 59.378 64.045 1.00 36.20 N ATOM 950 CA VAL B 193 -47.911 58.043 63.680 1.00 35.08 C ATOM 951 C VAL B 193 -46.443 57.894 64.055 1.00 32.60 C ATOM 952 O VAL B 193 -46.020 56.853 64.560 1.00 42.82 O ATOM 953 CB VAL B 193 -48.072 57.781 62.165 1.00 36.84 C ATOM 954 CG1 VAL B 193 -47.457 56.442 61.778 1.00 28.13 C ATOM 955 CG2 VAL B 193 -49.537 57.832 61.766 1.00 15.81 C ATOM 956 H VAL B 193 -48.745 60.004 63.303 1.00 0.00 H ATOM 957 N TYR B 194 -45.675 58.953 63.817 1.00 29.43 N ATOM 958 CA TYR B 194 -44.248 58.950 64.110 1.00 28.83 C ATOM 959 C TYR B 194 -43.983 58.823 65.605 1.00 37.03 C ATOM 960 O TYR B 194 -43.188 57.986 66.036 1.00 44.67 O ATOM 961 CB TYR B 194 -43.581 60.215 63.567 1.00 22.80 C ATOM 962 CG TYR B 194 -42.076 60.188 63.685 1.00 32.28 C ATOM 963 CD1 TYR B 194 -41.329 59.234 63.006 1.00 35.19 C ATOM 964 CD2 TYR B 194 -41.400 61.110 64.473 1.00 32.68 C ATOM 965 CE1 TYR B 194 -39.952 59.196 63.110 1.00 34.22 C ATOM 966 CE2 TYR B 194 -40.015 61.080 64.581 1.00 32.21 C ATOM 967 CZ TYR B 194 -39.299 60.119 63.897 1.00 30.86 C ATOM 968 OH TYR B 194 -37.927 60.077 63.994 1.00 25.84 O ATOM 969 HH TYR B 194 -37.548 60.932 63.669 1.00 0.00 H ATOM 970 H TYR B 194 -46.105 59.808 63.410 1.00 0.00 H ATOM 971 N VAL B 195 -44.654 59.661 66.389 1.00 36.88 N ATOM 972 CA VAL B 195 -44.504 59.650 67.838 1.00 34.01 C ATOM 973 C VAL B 195 -44.850 58.279 68.424 1.00 37.89 C ATOM 974 O VAL B 195 -44.140 57.769 69.289 1.00 35.28 O ATOM 975 CB VAL B 195 -45.375 60.738 68.501 1.00 34.13 C ATOM 976 CG1 VAL B 195 -45.317 60.621 70.012 1.00 29.25 C ATOM 977 CG2 VAL B 195 -44.929 62.126 68.054 1.00 25.98 C ATOM 978 H VAL B 195 -45.306 60.345 65.955 1.00 0.00 H ATOM 979 N LYS B 196 -45.933 57.683 67.933 1.00 32.04 N ATOM 980 CA LYS B 196 -46.383 56.377 68.413 1.00 34.12 C ATOM 981 C LYS B 196 -45.384 55.276 68.095 1.00 33.39 C ATOM 982 O LYS B 196 -45.197 54.347 68.883 1.00 45.19 O ATOM 983 CB LYS B 196 -47.739 56.018 67.809 1.00 24.36 C ATOM 984 CG LYS B 196 -48.890 56.873 68.296 1.00 24.76 C ATOM 985 CD LYS B 196 -50.187 56.445 67.637 1.00 28.06 C ATOM 986 CE LYS B 196 -51.365 57.264 68.136 1.00 41.89 C ATOM 987 NZ LYS B 196 -52.620 56.932 67.403 1.00 64.80 N ATOM 988 HZ1 LYS B 196 -52.491 57.128 66.390 1.00 0.00 H ATOM 989 HZ2 LYS B 196 -52.842 55.925 67.536 1.00 0.00 H ATOM 990 HZ3 LYS B 196 -53.400 57.512 67.773 1.00 0.00 H ATOM 991 H LYS B 196 -46.476 58.160 67.185 1.00 0.00 H ATOM 992 N GLY B 197 -44.755 55.376 66.930 1.00 33.79 N ATOM 993 CA GLY B 197 -43.732 54.427 66.538 1.00 40.89 C ATOM 994 C GLY B 197 -42.505 54.555 67.418 1.00 36.11 C ATOM 995 O GLY B 197 -41.878 53.559 67.780 1.00 38.06 O ATOM 996 H GLY B 197 -45.002 56.153 66.284 1.00 0.00 H ATOM 997 N LEU B 198 -42.163 55.794 67.759 1.00 30.68 N ATOM 998 CA LEU B 198 -41.064 56.073 68.673 1.00 29.40 C ATOM 999 C LEU B 198 -41.383 55.523 70.062 1.00 35.95 C ATOM 1000 O LEU B 198 -40.524 54.940 70.726 1.00 32.98 O ATOM 1001 CB LEU B 198 -40.819 57.582 68.741 1.00 26.53 C ATOM 1002 CG LEU B 198 -39.527 58.134 68.134 1.00 28.66 C ATOM 1003 CD1 LEU B 198 -39.168 57.389 66.870 1.00 27.81 C ATOM 1004 CD2 LEU B 198 -39.664 59.622 67.852 1.00 35.29 C ATOM 1005 H LEU B 198 -42.699 56.591 67.359 1.00 0.00 H ATOM 1006 N LEU B 199 -42.626 55.717 70.492 1.00 34.31 N ATOM 1007 CA LEU B 199 -43.101 55.174 71.760 1.00 35.52 C ATOM 1008 C LEU B 199 -43.015 53.653 71.752 1.00 41.54 C ATOM 1009 O LEU B 199 -42.610 53.037 72.740 1.00 39.13 O ATOM 1010 CB LEU B 199 -44.545 55.611 72.020 1.00 23.29 C ATOM 1011 CG LEU B 199 -44.804 56.746 73.015 1.00 25.72 C ATOM 1012 CD1 LEU B 199 -43.531 57.497 73.346 1.00 34.12 C ATOM 1013 CD2 LEU B 199 -45.854 57.695 72.464 1.00 25.94 C ATOM 1014 H LEU B 199 -43.280 56.273 69.906 1.00 0.00 H ATOM 1015 N ALA B 200 -43.401 53.056 70.629 1.00 41.50 N ATOM 1016 CA ALA B 200 -43.357 51.608 70.472 1.00 38.09 C ATOM 1017 C ALA B 200 -41.926 51.089 70.552 1.00 36.98 C ATOM 1018 O ALA B 200 -41.667 50.054 71.164 1.00 39.86 O ATOM 1019 CB ALA B 200 -43.999 51.198 69.159 1.00 35.52 C ATOM 1020 H ALA B 200 -43.744 53.639 69.839 1.00 0.00 H ATOM 1021 N LYS B 201 -41.003 51.816 69.930 1.00 31.12 N ATOM 1022 CA LYS B 201 -39.586 51.479 69.992 1.00 29.55 C ATOM 1023 C LYS B 201 -39.108 51.432 71.442 1.00 41.53 C ATOM 1024 O LYS B 201 -38.491 50.457 71.863 1.00 37.98 O ATOM 1025 CB LYS B 201 -38.768 52.492 69.190 1.00 31.40 C ATOM 1026 CG LYS B 201 -37.281 52.206 69.143 1.00 28.49 C ATOM 1027 CD LYS B 201 -36.993 50.872 68.483 1.00 35.39 C ATOM 1028 CE LYS B 201 -35.498 50.658 68.331 1.00 36.82 C ATOM 1029 NZ LYS B 201 -35.183 49.275 67.888 1.00 42.23 N ATOM 1030 HZ1 LYS B 201 -35.542 48.597 68.591 1.00 0.00 H ATOM 1031 HZ2 LYS B 201 -35.635 49.095 66.969 1.00 0.00 H ATOM 1032 HZ3 LYS B 201 -34.153 49.168 67.796 1.00 0.00 H ATOM 1033 H LYS B 201 -41.300 52.649 69.383 1.00 0.00 H ATOM 1034 N ILE B 202 -39.413 52.487 72.194 1.00 33.47 N ATOM 1035 CA ILE B 202 -39.084 52.577 73.617 1.00 34.70 C ATOM 1036 C ILE B 202 -39.658 51.409 74.416 1.00 34.88 C ATOM 1037 O ILE B 202 -38.934 50.723 75.139 1.00 36.16 O ATOM 1038 CB ILE B 202 -39.616 53.893 74.221 1.00 33.53 C ATOM 1039 CG1 ILE B 202 -38.854 55.087 73.647 1.00 26.35 C ATOM 1040 CG2 ILE B 202 -39.517 53.869 75.740 1.00 38.66 C ATOM 1041 CD1 ILE B 202 -39.425 56.431 74.045 1.00 16.93 C ATOM 1042 H ILE B 202 -39.909 53.286 71.749 1.00 0.00 H ATOM 1043 N PHE B 203 -40.966 51.206 74.279 1.00 32.58 N ATOM 1044 CA PHE B 203 -41.679 50.099 74.913 1.00 32.83 C ATOM 1045 C PHE B 203 -40.945 48.783 74.689 1.00 34.29 C ATOM 1046 O PHE B 203 -40.602 48.078 75.639 1.00 58.32 O ATOM 1047 CB PHE B 203 -43.092 50.009 74.330 1.00 34.26 C ATOM 1048 CG PHE B 203 -43.932 48.905 74.911 1.00 33.51 C ATOM 1049 CD1 PHE B 203 -43.797 47.597 74.469 1.00 44.26 C ATOM 1050 CD2 PHE B 203 -44.883 49.181 75.876 1.00 43.91 C ATOM 1051 CE1 PHE B 203 -44.571 46.584 74.999 1.00 35.29 C ATOM 1052 CE2 PHE B 203 -45.666 48.172 76.404 1.00 49.71 C ATOM 1053 CZ PHE B 203 -45.509 46.873 75.966 1.00 38.52 C ATOM 1054 H PHE B 203 -41.509 51.869 73.690 1.00 0.00 H ATOM 1055 N GLU B 204 -40.726 48.459 73.421 1.00 46.91 N ATOM 1056 CA GLU B 204 -39.993 47.264 73.034 1.00 48.09 C ATOM 1057 C GLU B 204 -38.580 47.282 73.600 1.00 39.33 C ATOM 1058 O GLU B 204 -38.096 46.282 74.126 1.00 47.24 O ATOM 1059 CB GLU B 204 -39.937 47.173 71.509 1.00 42.19 C ATOM 1060 CG GLU B 204 -38.722 46.446 70.967 1.00 73.84 C ATOM 1061 CD GLU B 204 -38.390 46.858 69.547 1.00 81.87 C ATOM 1062 OE1 GLU B 204 -39.318 46.911 68.711 1.00 73.64 O ATOM 1063 OE2 GLU B 204 -37.205 47.148 69.271 1.00 76.19 O ATOM 1064 H GLU B 204 -41.093 49.084 72.675 1.00 0.00 H ATOM 1065 N LEU B 205 -37.923 48.431 73.494 1.00 47.03 N ATOM 1066 CA LEU B 205 -36.538 48.555 73.920 1.00 46.76 C ATOM 1067 C LEU B 205 -36.398 48.407 75.429 1.00 46.93 C ATOM 1068 O LEU B 205 -35.346 48.004 75.924 1.00 52.57 O ATOM 1069 CB LEU B 205 -35.973 49.904 73.481 1.00 42.19 C ATOM 1070 CG LEU B 205 -34.557 49.901 72.918 1.00 40.84 C ATOM 1071 CD1 LEU B 205 -34.341 48.670 72.066 1.00 31.87 C ATOM 1072 CD2 LEU B 205 -34.340 51.158 72.101 1.00 40.10 C ATOM 1073 H LEU B 205 -38.409 49.260 73.098 1.00 0.00 H ATOM 1074 N GLU B 206 -37.459 48.732 76.159 1.00 44.08 N ATOM 1075 CA GLU B 206 -37.386 48.741 77.613 1.00 40.87 C ATOM 1076 C GLU B 206 -37.123 47.344 78.156 1.00 65.52 C ATOM 1077 O GLU B 206 -38.043 46.627 78.574 1.00 41.38 O ATOM 1078 CB GLU B 206 -38.628 49.385 78.229 1.00 30.53 C ATOM 1079 CG GLU B 206 -38.308 50.750 78.832 1.00 39.28 C ATOM 1080 CD GLU B 206 -39.506 51.664 78.892 1.00 50.93 C ATOM 1081 OE1 GLU B 206 -39.302 52.880 79.086 1.00 39.23 O ATOM 1082 OE2 GLU B 206 -40.647 51.172 78.749 1.00 47.20 O ATOM 1083 H GLU B 206 -38.351 48.983 75.687 1.00 0.00 H ATOM 1084 N LYS B 207 -35.847 46.968 78.135 1.00100.08 N ATOM 1085 CA LYS B 207 -35.459 45.614 78.492 1.00 96.70 C ATOM 1086 C LYS B 207 -34.899 45.522 79.901 1.00 81.70 C ATOM 1087 O LYS B 207 -33.737 45.851 80.161 1.00 53.54 O ATOM 1088 CB LYS B 207 -34.523 45.000 77.446 1.00 50.41 C ATOM 1089 CG LYS B 207 -35.270 44.149 76.418 1.00 52.88 C ATOM 1090 CD LYS B 207 -36.536 43.544 77.033 1.00 44.45 C ATOM 1091 CE LYS B 207 -37.796 44.086 76.362 1.00 72.44 C ATOM 1092 NZ LYS B 207 -38.804 44.656 77.303 1.00 34.94 N ATOM 1093 HZ1 LYS B 207 -39.110 43.919 77.970 1.00 0.00 H ATOM 1094 HZ2 LYS B 207 -38.378 45.446 77.829 1.00 0.00 H ATOM 1095 HZ3 LYS B 207 -39.624 44.999 76.764 1.00 0.00 H ATOM 1096 H LYS B 207 -35.116 47.654 77.859 1.00 0.00 H ATOM 1097 N LYS B 208 -35.777 45.095 80.804 1.00 78.00 N ATOM 1098 CA LYS B 208 -35.481 44.944 82.220 1.00 62.60 C ATOM 1099 C LYS B 208 -35.163 46.276 82.900 1.00 64.68 C ATOM 1100 O LYS B 208 -34.662 46.303 84.024 1.00 90.22 O ATOM 1101 CB LYS B 208 -34.376 43.905 82.434 1.00 80.99 C ATOM 1102 CG LYS B 208 -34.656 42.595 81.708 1.00 48.80 C ATOM 1103 CD LYS B 208 -33.633 41.522 82.030 1.00 60.49 C ATOM 1104 CE LYS B 208 -34.319 40.279 82.572 1.00 64.19 C ATOM 1105 NZ LYS B 208 -35.545 39.943 81.793 1.00 60.39 N ATOM 1106 HZ1 LYS B 208 -36.215 40.737 81.844 1.00 0.00 H ATOM 1107 HZ2 LYS B 208 -35.287 39.769 80.801 1.00 0.00 H ATOM 1108 HZ3 LYS B 208 -35.985 39.090 82.193 1.00 0.00 H ATOM 1109 H LYS B 208 -36.735 44.854 80.477 1.00 0.00 H ATOM 1110 N THR B 209 -35.472 47.378 82.222 1.00 57.60 N ATOM 1111 CA THR B 209 -35.319 48.700 82.818 1.00 52.11 C ATOM 1112 C THR B 209 -36.685 49.299 83.131 1.00 51.23 C ATOM 1113 O THR B 209 -36.797 50.193 83.964 1.00 62.03 O ATOM 1114 CB THR B 209 -34.507 49.661 81.929 1.00 41.06 C ATOM 1115 OG1 THR B 209 -35.271 50.015 80.770 1.00 44.15 O ATOM 1116 CG2 THR B 209 -33.197 49.010 81.504 1.00 45.67 C ATOM 1117 HG1 THR B 209 -34.743 50.632 80.204 1.00 0.00 H ATOM 1118 H THR B 209 -35.829 47.295 81.249 1.00 0.00 H ATOM 1119 N GLU B 210 -37.715 48.804 82.452 1.00 44.26 N ATOM 1120 CA GLU B 210 -39.097 49.078 82.839 1.00 42.88 C ATOM 1121 C GLU B 210 -40.055 47.976 82.394 1.00 44.47 C ATOM 1122 O GLU B 210 -39.678 47.053 81.671 1.00 59.00 O ATOM 1123 CB GLU B 210 -39.591 50.448 82.349 1.00 62.87 C ATOM 1124 CG GLU B 210 -39.332 51.624 83.311 1.00 83.71 C ATOM 1125 CD GLU B 210 -39.798 51.371 84.750 1.00 86.86 C ATOM 1126 OE1 GLU B 210 -40.700 50.531 84.965 1.00 77.08 O ATOM 1127 OE2 GLU B 210 -39.256 52.018 85.674 1.00 69.54 O ATOM 1128 H GLU B 210 -37.532 48.205 81.622 1.00 0.00 H ATOM 1129 N THR B 211 -41.301 48.098 82.832 1.00 41.95 N ATOM 1130 CA THR B 211 -42.294 47.049 82.676 1.00 41.80 C ATOM 1131 C THR B 211 -43.669 47.663 82.471 1.00 56.70 C ATOM 1132 O THR B 211 -44.056 48.590 83.182 1.00 67.91 O ATOM 1133 CB THR B 211 -42.332 46.188 83.933 1.00 58.10 C ATOM 1134 OG1 THR B 211 -43.661 45.693 84.142 1.00 86.95 O ATOM 1135 CG2 THR B 211 -41.938 47.034 85.113 1.00 80.49 C ATOM 1136 HG1 THR B 211 -44.283 46.456 84.248 1.00 0.00 H ATOM 1137 H THR B 211 -41.579 48.981 83.307 1.00 0.00 H ATOM 1138 N ALA B 212 -44.404 47.149 81.491 1.00 69.20 N ATOM 1139 CA ALA B 212 -45.734 47.659 81.190 1.00 96.57 C ATOM 1140 C ALA B 212 -46.763 46.540 81.267 1.00 90.66 C ATOM 1141 O ALA B 212 -46.462 45.447 81.752 1.00 60.75 O ATOM 1142 CB ALA B 212 -45.753 48.318 79.819 1.00 83.77 C ATOM 1143 H ALA B 212 -44.021 46.365 80.926 1.00 0.00 H ATOM 1144 N ALA B 213 -47.971 46.826 80.781 1.00106.97 N ATOM 1145 CA ALA B 213 -49.091 45.887 80.828 1.00 97.60 C ATOM 1146 C ALA B 213 -49.252 45.294 82.221 1.00 86.93 C ATOM 1147 O ALA B 213 -49.221 44.075 82.392 1.00 79.05 O ATOM 1148 CB ALA B 213 -48.909 44.780 79.797 1.00 73.67 C ATOM 1149 H ALA B 213 -48.124 47.759 80.349 1.00 0.00 H ATOM 1150 N HIS B 214 -49.411 46.156 83.219 1.00 92.85 N ATOM 1151 CA HIS B 214 -49.435 45.685 84.596 1.00 81.41 C ATOM 1152 C HIS B 214 -50.761 45.925 85.303 1.00 96.57 C ATOM 1153 O HIS B 214 -51.147 47.061 85.578 1.00 88.63 O ATOM 1154 CB HIS B 214 -48.275 46.281 85.396 1.00 70.70 C ATOM 1155 CG HIS B 214 -47.310 45.256 85.897 1.00 63.22 C ATOM 1156 ND1 HIS B 214 -46.109 45.593 86.497 1.00 59.48 N ATOM 1157 CD2 HIS B 214 -47.355 43.905 85.894 1.00 61.17 C ATOM 1158 CE1 HIS B 214 -45.467 44.495 86.835 1.00 69.95 C ATOM 1159 NE2 HIS B 214 -46.200 43.451 86.480 1.00 77.78 N ATOM 1160 H HIS B 214 -49.519 47.170 83.016 1.00 0.00 H ATOM 1161 N SER B 215 -51.448 44.830 85.599 1.00 98.77 N ATOM 1162 CA SER B 215 -52.713 44.873 86.314 1.00 97.07 C ATOM 1163 C SER B 215 -52.545 45.476 87.705 1.00 70.37 C ATOM 1164 O SER B 215 -51.427 45.698 88.169 1.00 84.56 O ATOM 1165 CB SER B 215 -53.299 43.464 86.414 1.00107.19 C ATOM 1166 OG SER B 215 -52.393 42.499 85.902 1.00 87.98 O ATOM 1167 HG SER B 215 -52.795 41.598 85.978 1.00 0.00 H ATOM 1168 H SER B 215 -51.068 43.906 85.309 1.00 0.00 H TER 1169 SER B 215 HETATM 1170 O HOH 1 -29.769 60.405 75.301 1.00 39.82 O HETATM 1171 O HOH 2 -52.608 65.784 67.863 1.00 43.23 O HETATM 1172 O HOH 3 -42.372 72.429 63.545 1.00 61.95 O HETATM 1173 O HOH 4 -76.724 101.766 46.835 1.00 71.42 O HETATM 1174 O HOH 5 -50.699 76.838 69.961 1.00 44.45 O HETATM 1175 O HOH 6 -43.711 67.134 64.813 1.00 44.93 O HETATM 1176 O HOH 7 -42.406 59.649 77.922 1.00 25.85 O HETATM 1177 O HOH 8 -41.184 57.491 77.385 1.00 32.12 O HETATM 1178 O HOH 9 -39.244 72.400 68.765 1.00 36.83 O HETATM 1179 O HOH 10 -24.619 57.401 77.932 1.00 55.91 O HETATM 1180 O HOH 11 -25.904 48.207 81.342 1.00 56.01 O HETATM 1181 O HOH 12 -27.563 53.790 68.663 1.00 57.64 O HETATM 1182 O HOH 13 -30.626 55.584 68.488 1.00 41.21 O HETATM 1183 O HOH 14 -50.607 80.390 57.766 1.00 55.84 O HETATM 1184 O HOH 15 -26.391 53.881 71.598 1.00 50.73 O HETATM 1185 O HOH 16 -44.856 77.183 73.841 1.00 57.14 O HETATM 1186 O HOH 17 -47.124 53.910 64.309 1.00 52.23 O HETATM 1187 O HOH 18 -39.108 62.507 61.068 1.00 36.49 O HETATM 1188 O HOH 19 -47.331 53.572 70.881 1.00 47.63 O HETATM 1189 O HOH 20 -36.789 62.085 63.076 1.00 47.61 O HETATM 1190 O HOH 21 -53.254 60.594 68.343 1.00 58.03 O HETATM 1191 O HOH 22 -50.243 67.220 51.420 1.00 56.24 O HETATM 1192 O HOH 23 -51.892 58.002 58.449 1.00 46.87 O HETATM 1193 O HOH 24 -40.338 54.742 80.439 1.00 33.33 O HETATM 1194 O HOH 25 -43.590 62.024 59.841 1.00 50.26 O HETATM 1195 O HOH 26 -41.857 53.504 79.229 1.00 46.97 O HETATM 1196 O HOH 27 -46.542 51.189 72.573 1.00 47.44 O HETATM 1197 O HOH 28 -52.037 74.347 45.670 1.00 64.04 O HETATM 1198 O HOH 29 -46.661 70.621 75.410 1.00 48.74 O HETATM 1199 O HOH 30 -60.466 74.640 65.816 1.00 57.09 O HETATM 1200 O HOH 31 -53.692 62.202 74.514 1.00 41.31 O HETATM 1201 O HOH 32 -54.278 71.046 76.662 1.00 55.68 O HETATM 1202 N GLN A 33 -64.203 76.544 57.726 1.00 0.24 N HETATM 1203 CA GLN A 33 -63.905 75.218 58.254 1.00 0.07 C HETATM 1204 C GLN A 33 -62.407 75.015 58.465 1.00 0.23 C HETATM 1205 O GLN A 33 -61.895 73.902 58.332 1.00 -0.39 O HETATM 1206 N GLN A 33 -61.706 76.096 58.784 1.00 -0.26 N HETATM 1207 CA GLN A 33 -60.313 75.993 59.190 1.00 0.13 C HETATM 1208 C GLN A 33 -60.280 75.453 60.614 1.00 0.20 C HETATM 1209 O GLN A 33 -61.126 75.805 61.436 1.00 -0.39 O HETATM 1210 N GLN A 33 -59.315 74.588 60.901 1.00 -0.26 N HETATM 1211 CA GLN A 33 -59.226 73.970 62.217 1.00 0.13 C HETATM 1212 C GLN A 33 -57.876 74.229 62.869 1.00 0.20 C HETATM 1213 O GLN A 33 -56.839 74.201 62.208 1.00 -0.39 O HETATM 1214 N GLN A 33 -57.896 74.489 64.171 1.00 -0.27 N HETATM 1215 CA GLN A 33 -56.671 74.596 64.936 1.00 0.12 C HETATM 1216 C GLN A 33 -56.306 73.239 65.502 1.00 0.20 C HETATM 1217 O GLN A 33 -56.945 72.238 65.178 1.00 -0.39 O HETATM 1218 N GLN A 33 -55.271 73.197 66.351 1.00 -0.25 N HETATM 1219 CA GLN A 33 -54.876 71.974 67.055 1.00 0.13 C HETATM 1220 C GLN A 33 -56.005 71.513 67.968 1.00 0.21 C HETATM 1221 O GLN A 33 -56.937 72.281 68.209 1.00 -0.39 O HETATM 1222 N GLN A 33 -55.938 70.268 68.460 1.00 -0.25 N HETATM 1223 CA GLN A 33 -56.947 69.803 69.417 1.00 0.13 C HETATM 1224 C GLN A 33 -57.012 70.703 70.652 1.00 0.20 C HETATM 1225 O GLN A 33 -58.095 70.939 71.188 1.00 -0.39 O HETATM 1226 N GLN A 33 -55.855 71.192 71.091 1.00 -0.26 N HETATM 1227 CA GLN A 33 -55.761 72.108 72.226 1.00 0.14 C HETATM 1228 C GLN A 33 -54.459 72.907 72.118 1.00 0.21 C HETATM 1229 O GLN A 33 -53.528 72.471 71.444 1.00 -0.39 O HETATM 1230 N GLN A 33 -54.393 74.084 72.768 1.00 -0.25 N HETATM 1231 CA GLN A 33 -53.226 74.968 72.618 1.00 0.13 C HETATM 1232 C GLN A 33 -51.867 74.345 72.969 1.00 0.20 C HETATM 1233 O GLN A 33 -50.873 74.708 72.341 1.00 -0.39 O HETATM 1234 N GLN A 33 -51.815 73.440 73.943 1.00 -0.26 N HETATM 1235 CA GLN A 33 -50.551 72.793 74.297 1.00 0.16 C HETATM 1236 C GLN A 33 -50.538 71.331 73.872 1.00 0.21 C HETATM 1237 O GLN A 33 -51.553 70.642 73.961 1.00 -0.39 O HETATM 1238 N GLN A 33 -49.384 70.858 73.415 1.00 -0.26 N HETATM 1239 CA GLN A 33 -49.280 69.483 72.945 1.00 0.14 C HETATM 1240 C GLN A 33 -49.361 68.478 74.086 1.00 0.21 C HETATM 1241 O GLN A 33 -48.704 68.631 75.115 1.00 -0.39 O HETATM 1242 N GLN A 33 -50.179 67.452 73.889 1.00 -0.26 N HETATM 1243 CA GLN A 33 -50.269 66.343 74.825 1.00 0.13 C HETATM 1244 C GLN A 33 -50.019 65.041 74.074 1.00 0.21 C HETATM 1245 O GLN A 33 -50.792 64.674 73.190 1.00 -0.39 O HETATM 1246 N GLN A 33 -48.925 64.346 74.419 1.00 -0.25 N HETATM 1247 CA GLN A 33 -48.521 63.104 73.749 1.00 0.13 C HETATM 1248 C GLN A 33 -49.612 62.043 73.813 1.00 0.21 C HETATM 1249 O GLN A 33 -50.463 62.100 74.699 1.00 -0.39 O HETATM 1250 N GLN A 33 -49.600 61.090 72.869 1.00 -0.26 N HETATM 1251 CA GLN A 33 -50.561 59.985 72.903 1.00 0.10 C HETATM 1252 C GLN A 33 -50.098 58.885 73.851 1.00 0.06 C HETATM 1253 O GLN A 33 -50.910 58.046 74.240 1.00 -0.57 O HETATM 1254 OXT GLN A 33 -48.921 58.857 74.209 1.00 -0.57 O HETATM 1255 CB GLN A 33 -50.547 59.478 71.462 1.00 -0.02 C HETATM 1256 CG GLN A 33 -49.165 59.763 70.994 1.00 -0.03 C HETATM 1257 CD GLN A 33 -48.758 61.053 71.659 1.00 0.04 C HETATM 1258 H96 GLN A 33 -47.690 61.041 71.922 1.00 0.05 H HETATM 1259 H97 GLN A 33 -48.966 61.915 71.008 1.00 0.05 H HETATM 1260 H94 GLN A 33 -49.148 59.875 69.900 1.00 0.03 H HETATM 1261 H95 GLN A 33 -48.486 58.950 71.290 1.00 0.03 H HETATM 1262 H92 GLN A 33 -51.286 60.017 70.851 1.00 0.03 H HETATM 1263 H93 GLN A 33 -50.758 58.399 71.425 1.00 0.03 H HETATM 1264 H91 GLN A 33 -51.562 60.335 73.197 1.00 0.07 H HETATM 1265 CB GLN A 33 -47.307 62.649 74.564 1.00 -0.01 C HETATM 1266 CG GLN A 33 -46.785 63.889 75.196 1.00 -0.03 C HETATM 1267 CD GLN A 33 -47.988 64.728 75.488 1.00 0.04 C HETATM 1268 H89 GLN A 33 -48.402 64.493 76.480 1.00 0.05 H HETATM 1269 H90 GLN A 33 -47.745 65.799 75.436 1.00 0.05 H HETATM 1270 H87 GLN A 33 -46.108 64.415 74.507 1.00 0.03 H HETATM 1271 H88 GLN A 33 -46.249 63.650 76.126 1.00 0.03 H HETATM 1272 H85 GLN A 33 -46.547 62.199 73.908 1.00 0.03 H HETATM 1273 H86 GLN A 33 -47.607 61.920 75.331 1.00 0.03 H HETATM 1274 H84 GLN A 33 -48.251 63.293 72.700 1.00 0.08 H HETATM 1275 CB GLN A 33 -51.646 66.292 75.511 1.00 -0.00 C HETATM 1276 CG1 GLN A 33 -51.866 67.554 76.352 1.00 -0.05 C HETATM 1277 CD1 GLN A 33 -53.284 67.713 76.857 1.00 -0.06 C HETATM 1278 H81 GLN A 33 -53.361 68.637 77.449 1.00 0.02 H HETATM 1279 H82 GLN A 33 -53.548 66.851 77.487 1.00 0.02 H HETATM 1280 H83 GLN A 33 -53.974 67.767 76.002 1.00 0.02 H HETATM 1281 H76 GLN A 33 -51.618 68.430 75.734 1.00 0.03 H HETATM 1282 H77 GLN A 33 -51.191 67.514 77.220 1.00 0.03 H HETATM 1283 CG2 GLN A 33 -51.768 65.038 76.367 1.00 -0.06 C HETATM 1284 H78 GLN A 33 -51.606 64.149 75.740 1.00 0.02 H HETATM 1285 H79 GLN A 33 -52.773 64.994 76.812 1.00 0.02 H HETATM 1286 H80 GLN A 33 -51.013 65.065 77.167 1.00 0.02 H HETATM 1287 H75 GLN A 33 -52.422 66.255 74.732 1.00 0.03 H HETATM 1288 H74 GLN A 33 -49.496 66.468 75.598 1.00 0.08 H HETATM 1289 H73 GLN A 33 -50.752 67.441 73.070 1.00 0.19 H HETATM 1290 CB GLN A 33 -47.995 69.257 72.146 1.00 0.02 C HETATM 1291 CG GLN A 33 -47.880 67.845 71.623 1.00 -0.05 C HETATM 1292 CD1 GLN A 33 -48.666 67.415 70.562 1.00 -0.07 C HETATM 1293 CE1 GLN A 33 -48.575 66.125 70.081 1.00 -0.04 C HETATM 1294 CZ GLN A 33 -47.689 65.241 70.662 1.00 0.08 C HETATM 1295 CE2 GLN A 33 -46.898 65.642 71.719 1.00 -0.04 C HETATM 1296 CD2 GLN A 33 -46.999 66.937 72.196 1.00 -0.07 C HETATM 1297 H69 GLN A 33 -46.381 67.248 73.030 1.00 0.05 H HETATM 1298 H71 GLN A 33 -46.201 64.947 72.173 1.00 0.05 H HETATM 1299 OH GLN A 33 -47.594 63.953 70.182 1.00 -0.34 O HETATM 1300 H72 GLN A 33 -48.201 63.840 69.460 1.00 0.25 H HETATM 1301 H70 GLN A 33 -49.196 65.808 69.251 1.00 0.05 H HETATM 1302 H68 GLN A 33 -49.364 68.106 70.103 1.00 0.05 H HETATM 1303 H66 GLN A 33 -47.133 69.463 72.798 1.00 0.05 H HETATM 1304 H67 GLN A 33 -47.983 69.951 71.293 1.00 0.05 H HETATM 1305 H65 GLN A 33 -50.132 69.299 72.274 1.00 0.08 H HETATM 1306 H64 GLN A 33 -48.579 71.451 73.393 1.00 0.19 H HETATM 1307 CB GLN A 33 -50.248 72.878 75.808 1.00 0.09 C HETATM 1308 OG1 GLN A 33 -51.246 72.161 76.545 1.00 -0.39 O HETATM 1309 H60 GLN A 33 -51.244 71.250 76.275 1.00 0.21 H HETATM 1310 CG2 GLN A 33 -50.219 74.326 76.267 1.00 -0.03 C HETATM 1311 H61 GLN A 33 -50.002 74.365 77.345 1.00 0.03 H HETATM 1312 H62 GLN A 33 -51.196 74.792 76.073 1.00 0.03 H HETATM 1313 H63 GLN A 33 -49.438 74.870 75.716 1.00 0.03 H HETATM 1314 H59 GLN A 33 -49.265 72.424 75.999 1.00 0.06 H HETATM 1315 H58 GLN A 33 -49.747 73.316 73.758 1.00 0.08 H HETATM 1316 H57 GLN A 33 -52.649 73.199 74.439 1.00 0.19 H HETATM 1317 CB GLN A 33 -53.544 76.142 73.560 1.00 -0.01 C HETATM 1318 CG GLN A 33 -54.647 75.654 74.448 1.00 -0.03 C HETATM 1319 CD GLN A 33 -55.433 74.704 73.607 1.00 0.04 C HETATM 1320 H55 GLN A 33 -55.943 73.953 74.228 1.00 0.05 H HETATM 1321 H56 GLN A 33 -56.174 75.237 72.993 1.00 0.05 H HETATM 1322 H53 GLN A 33 -55.279 76.493 74.776 1.00 0.03 H HETATM 1323 H54 GLN A 33 -54.235 75.140 75.329 1.00 0.03 H HETATM 1324 H51 GLN A 33 -53.874 77.019 72.984 1.00 0.03 H HETATM 1325 H52 GLN A 33 -52.659 76.407 74.157 1.00 0.03 H HETATM 1326 H50 GLN A 33 -53.173 75.321 71.577 1.00 0.08 H HETATM 1327 CB GLN A 33 -55.830 71.338 73.550 1.00 0.02 C HETATM 1328 CG GLN A 33 -55.618 69.851 73.411 1.00 -0.05 C HETATM 1329 CD1 GLN A 33 -54.340 69.315 73.357 1.00 -0.07 C HETATM 1330 CE1 GLN A 33 -54.143 67.956 73.228 1.00 -0.04 C HETATM 1331 CZ GLN A 33 -55.231 67.112 73.151 1.00 0.08 C HETATM 1332 CE2 GLN A 33 -56.511 67.619 73.205 1.00 -0.04 C HETATM 1333 CD2 GLN A 33 -56.698 68.980 73.335 1.00 -0.07 C HETATM 1334 H46 GLN A 33 -57.706 69.377 73.379 1.00 0.05 H HETATM 1335 H48 GLN A 33 -57.365 66.954 73.146 1.00 0.05 H HETATM 1336 OH GLN A 33 -55.037 65.756 73.023 1.00 -0.34 O HETATM 1337 H49 GLN A 33 -54.105 65.571 73.001 1.00 0.25 H HETATM 1338 H47 GLN A 33 -53.138 67.553 73.187 1.00 0.05 H HETATM 1339 H45 GLN A 33 -53.482 69.975 73.417 1.00 0.05 H HETATM 1340 H43 GLN A 33 -56.822 71.505 73.995 1.00 0.05 H HETATM 1341 H44 GLN A 33 -55.055 71.736 74.222 1.00 0.05 H HETATM 1342 H42 GLN A 33 -56.608 72.808 72.188 1.00 0.08 H HETATM 1343 H41 GLN A 33 -55.013 70.921 70.624 1.00 0.19 H HETATM 1344 CB GLN A 33 -56.442 68.409 69.792 1.00 -0.01 C HETATM 1345 CG GLN A 33 -55.687 67.956 68.586 1.00 -0.03 C HETATM 1346 CD GLN A 33 -55.012 69.192 68.065 1.00 0.04 C HETATM 1347 H39 GLN A 33 -54.025 69.329 68.531 1.00 0.05 H HETATM 1348 H40 GLN A 33 -54.899 69.149 66.972 1.00 0.05 H HETATM 1349 H37 GLN A 33 -56.374 67.543 67.832 1.00 0.03 H HETATM 1350 H38 GLN A 33 -54.942 67.194 68.859 1.00 0.03 H HETATM 1351 H35 GLN A 33 -57.284 67.733 70.002 1.00 0.03 H HETATM 1352 H36 GLN A 33 -55.782 68.457 70.671 1.00 0.03 H HETATM 1353 H34 GLN A 33 -57.941 69.753 68.948 1.00 0.08 H HETATM 1354 CB GLN A 33 -53.675 72.431 67.893 1.00 -0.01 C HETATM 1355 CG GLN A 33 -53.157 73.638 67.191 1.00 -0.03 C HETATM 1356 CD GLN A 33 -54.375 74.322 66.658 1.00 0.04 C HETATM 1357 H32 GLN A 33 -54.819 74.987 67.413 1.00 0.05 H HETATM 1358 H33 GLN A 33 -54.140 74.900 65.752 1.00 0.05 H HETATM 1359 H30 GLN A 33 -52.484 73.350 66.370 1.00 0.03 H HETATM 1360 H31 GLN A 33 -52.620 74.294 67.892 1.00 0.03 H HETATM 1361 H28 GLN A 33 -52.907 71.645 67.930 1.00 0.03 H HETATM 1362 H29 GLN A 33 -53.990 72.684 68.916 1.00 0.03 H HETATM 1363 H27 GLN A 33 -54.601 71.172 66.354 1.00 0.08 H HETATM 1364 H25 GLN A 33 -56.815 75.310 65.760 1.00 0.08 H HETATM 1365 H26 GLN A 33 -55.861 74.950 64.282 1.00 0.08 H HETATM 1366 H24 GLN A 33 -58.774 74.613 64.632 1.00 0.19 H HETATM 1367 CB GLN A 33 -59.471 72.462 62.122 1.00 0.00 C HETATM 1368 CG GLN A 33 -60.801 72.074 61.495 1.00 0.04 C HETATM 1369 CD GLN A 33 -61.085 70.587 61.610 1.00 0.17 C HETATM 1370 OE1 GLN A 33 -60.267 69.827 62.129 1.00 -0.40 O HETATM 1371 NE2 GLN A 33 -62.250 70.167 61.130 1.00 -0.30 N HETATM 1372 H22 GLN A 33 -62.491 69.198 61.179 1.00 0.18 H HETATM 1373 H23 GLN A 33 -62.886 70.820 60.720 1.00 0.18 H HETATM 1374 H20 GLN A 33 -60.783 72.348 60.430 1.00 0.05 H HETATM 1375 H21 GLN A 33 -61.605 72.627 62.002 1.00 0.05 H HETATM 1376 H18 GLN A 33 -59.437 72.044 63.139 1.00 0.03 H HETATM 1377 H19 GLN A 33 -58.665 72.021 61.517 1.00 0.03 H HETATM 1378 H17 GLN A 33 -60.007 74.410 62.854 1.00 0.08 H HETATM 1379 H16 GLN A 33 -58.638 74.357 60.202 1.00 0.19 H HETATM 1380 CB GLN A 33 -59.630 77.347 59.111 1.00 -0.02 C HETATM 1381 H13 GLN A 33 -58.580 77.246 59.422 1.00 0.03 H HETATM 1382 H14 GLN A 33 -60.143 78.056 59.777 1.00 0.03 H HETATM 1383 H15 GLN A 33 -59.672 77.719 58.077 1.00 0.03 H HETATM 1384 H12 GLN A 33 -59.789 75.293 58.523 1.00 0.08 H HETATM 1385 H11 GLN A 33 -62.142 76.995 58.745 1.00 0.19 H HETATM 1386 CB GLN A 33 -64.455 74.132 57.330 1.00 0.02 C HETATM 1387 CG GLN A 33 -63.870 74.150 55.930 1.00 0.04 C HETATM 1388 CD GLN A 33 -64.025 72.818 55.230 1.00 0.17 C HETATM 1389 OE1 GLN A 33 -64.779 71.954 55.680 1.00 -0.40 O HETATM 1390 NE2 GLN A 33 -63.304 72.637 54.129 1.00 -0.30 N HETATM 1391 H9 GLN A 33 -63.367 71.775 53.626 1.00 0.18 H HETATM 1392 H10 GLN A 33 -62.698 73.363 53.803 1.00 0.18 H HETATM 1393 H7 GLN A 33 -62.799 74.393 55.996 1.00 0.05 H HETATM 1394 H8 GLN A 33 -64.385 74.922 55.340 1.00 0.05 H HETATM 1395 H5 GLN A 33 -65.544 74.266 57.250 1.00 0.04 H HETATM 1396 H6 GLN A 33 -64.238 73.153 57.782 1.00 0.04 H HETATM 1397 H4 GLN A 33 -64.402 75.124 59.231 1.00 0.11 H HETATM 1398 H1 GLN A 33 -65.199 76.640 57.601 1.00 0.20 H HETATM 1399 H2 GLN A 33 -63.739 76.665 56.839 1.00 0.20 H HETATM 1400 H3 GLN A 33 -63.877 77.245 58.373 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 568 569 573 574 575 CONECT 573 568 CONECT 574 568 CONECT 575 568 CONECT 1202 1203 1398 1399 1400 CONECT 1203 1202 1204 1386 1397 CONECT 1204 1203 1205 1206 CONECT 1205 1204 CONECT 1206 1204 1207 1385 CONECT 1207 1206 1208 1380 1384 CONECT 1208 1207 1209 1210 CONECT 1209 1208 CONECT 1210 1208 1211 1379 CONECT 1211 1210 1212 1367 1378 CONECT 1212 1211 1213 1214 CONECT 1213 1212 CONECT 1214 1212 1215 1366 CONECT 1215 1214 1216 1364 1365 CONECT 1216 1215 1217 1218 CONECT 1217 1216 CONECT 1218 1216 1219 1356 CONECT 1219 1218 1220 1354 1363 CONECT 1220 1219 1221 1222 CONECT 1221 1220 CONECT 1222 1220 1223 1346 CONECT 1223 1222 1224 1344 1353 CONECT 1224 1223 1225 1226 CONECT 1225 1224 CONECT 1226 1224 1227 1343 CONECT 1227 1226 1228 1327 1342 CONECT 1228 1227 1229 1230 CONECT 1229 1228 CONECT 1230 1228 1231 1319 CONECT 1231 1230 1232 1317 1326 CONECT 1232 1231 1233 1234 CONECT 1233 1232 CONECT 1234 1232 1235 1316 CONECT 1235 1234 1236 1307 1315 CONECT 1236 1235 1237 1238 CONECT 1237 1236 CONECT 1238 1236 1239 1306 CONECT 1239 1238 1240 1290 1305 CONECT 1240 1239 1241 1242 CONECT 1241 1240 CONECT 1242 1240 1243 1289 CONECT 1243 1242 1244 1275 1288 CONECT 1244 1243 1245 1246 CONECT 1245 1244 CONECT 1246 1244 1247 1267 CONECT 1247 1246 1248 1265 1274 CONECT 1248 1247 1249 1250 CONECT 1249 1248 CONECT 1250 1248 1251 1257 CONECT 1251 1250 1252 1255 1264 CONECT 1252 1251 1253 1254 CONECT 1253 1252 CONECT 1254 1252 CONECT 1255 1251 1256 1262 1263 CONECT 1256 1255 1257 1260 1261 CONECT 1257 1250 1256 1258 1259 CONECT 1258 1257 CONECT 1259 1257 CONECT 1260 1256 CONECT 1261 1256 CONECT 1262 1255 CONECT 1263 1255 CONECT 1264 1251 CONECT 1265 1247 1266 1272 1273 CONECT 1266 1265 1267 1270 1271 CONECT 1267 1246 1266 1268 1269 CONECT 1268 1267 CONECT 1269 1267 CONECT 1270 1266 CONECT 1271 1266 CONECT 1272 1265 CONECT 1273 1265 CONECT 1274 1247 CONECT 1275 1243 1276 1283 1287 CONECT 1276 1275 1277 1281 1282 CONECT 1277 1276 1278 1279 1280 CONECT 1278 1277 CONECT 1279 1277 CONECT 1280 1277 CONECT 1281 1276 CONECT 1282 1276 CONECT 1283 1275 1284 1285 1286 CONECT 1284 1283 CONECT 1285 1283 CONECT 1286 1283 CONECT 1287 1275 CONECT 1288 1243 CONECT 1289 1242 CONECT 1290 1239 1291 1303 1304 CONECT 1291 1290 1292 1296 CONECT 1292 1291 1293 1302 CONECT 1293 1292 1294 1301 CONECT 1294 1293 1295 1299 CONECT 1295 1294 1296 1298 CONECT 1296 1291 1295 1297 CONECT 1297 1296 CONECT 1298 1295 CONECT 1299 1294 1300 CONECT 1300 1299 CONECT 1301 1293 CONECT 1302 1292 CONECT 1303 1290 CONECT 1304 1290 CONECT 1305 1239 CONECT 1306 1238 CONECT 1307 1235 1308 1310 1314 CONECT 1308 1307 1309 CONECT 1309 1308 CONECT 1310 1307 1311 1312 1313 CONECT 1311 1310 CONECT 1312 1310 CONECT 1313 1310 CONECT 1314 1307 CONECT 1315 1235 CONECT 1316 1234 CONECT 1317 1231 1318 1324 1325 CONECT 1318 1317 1319 1322 1323 CONECT 1319 1230 1318 1320 1321 CONECT 1320 1319 CONECT 1321 1319 CONECT 1322 1318 CONECT 1323 1318 CONECT 1324 1317 CONECT 1325 1317 CONECT 1326 1231 CONECT 1327 1227 1328 1340 1341 CONECT 1328 1327 1329 1333 CONECT 1329 1328 1330 1339 CONECT 1330 1329 1331 1338 CONECT 1331 1330 1332 1336 CONECT 1332 1331 1333 1335 CONECT 1333 1328 1332 1334 CONECT 1334 1333 CONECT 1335 1332 CONECT 1336 1331 1337 CONECT 1337 1336 CONECT 1338 1330 CONECT 1339 1329 CONECT 1340 1327 CONECT 1341 1327 CONECT 1342 1227 CONECT 1343 1226 CONECT 1344 1223 1345 1351 1352 CONECT 1345 1344 1346 1349 1350 CONECT 1346 1222 1345 1347 1348 CONECT 1347 1346 CONECT 1348 1346 CONECT 1349 1345 CONECT 1350 1345 CONECT 1351 1344 CONECT 1352 1344 CONECT 1353 1223 CONECT 1354 1219 1355 1361 1362 CONECT 1355 1354 1356 1359 1360 CONECT 1356 1218 1355 1357 1358 CONECT 1357 1356 CONECT 1358 1356 CONECT 1359 1355 CONECT 1360 1355 CONECT 1361 1354 CONECT 1362 1354 CONECT 1363 1219 CONECT 1364 1215 CONECT 1365 1215 CONECT 1366 1214 CONECT 1367 1211 1368 1376 1377 CONECT 1368 1367 1369 1374 1375 CONECT 1369 1368 1370 1371 CONECT 1370 1369 CONECT 1371 1369 1372 1373 CONECT 1372 1371 CONECT 1373 1371 CONECT 1374 1368 CONECT 1375 1368 CONECT 1376 1367 CONECT 1377 1367 CONECT 1378 1211 CONECT 1379 1210 CONECT 1380 1207 1381 1382 1383 CONECT 1381 1380 CONECT 1382 1380 CONECT 1383 1380 CONECT 1384 1207 CONECT 1385 1206 CONECT 1386 1203 1387 1395 1396 CONECT 1387 1386 1388 1393 1394 CONECT 1388 1387 1389 1390 CONECT 1389 1388 CONECT 1390 1388 1391 1392 CONECT 1391 1390 CONECT 1392 1390 CONECT 1393 1387 CONECT 1394 1387 CONECT 1395 1386 CONECT 1396 1386 CONECT 1397 1203 CONECT 1398 1202 CONECT 1399 1202 CONECT 1400 1202 MASTER 0 0 0 0 0 0 0 0 1398 2 207 10 END
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Entry Information
PDB ID
3wuv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Centrosomal protein of 55 kDa, CEP55 (160-217)
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.79(Å)
Affinity (Kd/Ki/IC50)
Kd=6.7uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Proc.Natl.Acad.Sci.USA Vol. 112(40): pp. 12372-12377
Ligand Properties
Formula
C
6
8
H
9
8
N
1
5
O
1
9
Molecular Weight
1429.590
Exact Mass
1428.720
No. of atoms
200
No. of bonds
206
Polar Surface Area
517.06
LOGP Value
-3.19 (
Computed with XLOGP3
)
-0.64 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 47
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 7
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)[NH3+])C)CCC(=O)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)C
InChI String
InChI=1S/C68H97N15O19/c1-5-36(2)55(67(100)82-31-9-14-50(82)66(99)83-32-10-15-51(83)68(101)102)77-60(93)45(33-39-16-20-41(85)21-17-39)75-63(96)56(38(4)84)78-62(95)48-12-6-29-80(48)64(97)46(34-40-18-22-42(86)23-19-40)76-61(94)47-11-7-30-81(47)65(98)49-13-8-28-79(49)54(89)35-72-59(92)44(25-27-53(71)88)74-57(90)37(3)73-58(91)43(69)24-26-52(70)87/h16-23,36-38,43-51,55-56,84-86H,5-15,24-35,69H2,1-4H3,(H2,70,87)(H2,71,88)(H,72,92)(H,73,91)(H,74,90)(H,75,96)(H,76,94)(H,77,93)(H,78,95)(H,101,102)/p+1/t36-,37-,38+,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-/m0/s1
Links to External Databases
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
Q53EZ4
Q8WUM4
Entrez Gene ID
NCBI Entrez Gene ID:
55165
10015
ASD
Information of known allosteric effects of PDB entries
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