Browse entries in the PDBbind-CN Database
HEADER 6I8B_COMPLEX COMPND 6I8B_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 71 ARG ARG ASN ILE VAL GLY CYS ARG ILE GLN HIS GLY TRP SEQRES 2 B 71 LYS GLU GLY ASN GLY PRO VAL THR GLN TRP LYS GLY THR SEQRES 3 B 71 VAL LEU ASP GLN VAL PRO VAL ASN PRO SER LEU TYR LEU SEQRES 4 B 71 ILE LYS TYR ASP GLY PHE ASP CYS VAL TYR GLY LEU GLU SEQRES 5 B 71 LEU ASN LYS ASP GLU ARG VAL SER ALA LEU GLU VAL LEU SEQRES 6 B 71 PRO ASP ARG VAL ALA THR SEQRES 1 B 17 HIS LEU ALA ASP THR MET ILE GLY LYS ALA VAL GLU HIS SEQRES 2 B 17 MET PHE GLU THR SEQRES 1 B 51 ASP GLY SER LYS ASP GLU TRP ARG GLY MET VAL LEU ALA SEQRES 2 B 51 ARG ALA PRO VAL MET ASN THR TRP PHE TYR ILE THR TYR SEQRES 3 B 51 GLU LYS ASP PRO VAL LEU TYR MET TYR GLN LEU LEU ASP SEQRES 4 B 51 ASP TYR LYS GLU GLY ASP LEU ARG ILE MET PRO ASP SEQRES 1 B 10 SER LEU VAL GLY LYS GLN VAL GLU TYR ALA SEQRES 1 B 45 GLY SER LYS ARG THR GLY MET VAL ILE HIS GLN VAL GLU SEQRES 2 B 45 ALA LYS PRO SER VAL TYR PHE ILE LYS PHE ASP ASP ASP SEQRES 3 B 45 PHE HIS ILE TYR VAL TYR ASP LEU VAL LYS THR SER ALA SEQRES 4 B 45 GLU ASN LEU TYR PHE GLN HET H A 7T 115 ATOM 1 N ARG B 50 43.749 19.431 54.007 1.00 87.06 N ATOM 2 CA ARG B 50 43.088 20.616 54.539 1.00 85.72 C ATOM 3 C ARG B 50 41.571 20.458 54.519 1.00 78.94 C ATOM 4 O ARG B 50 40.851 21.241 55.138 1.00 82.82 O ATOM 5 CB ARG B 50 43.496 21.861 53.749 1.00 87.45 C ATOM 6 HN3 ARG B 50 43.444 19.277 53.025 1.00 0.00 H ATOM 7 HN2 ARG B 50 43.494 18.604 54.584 1.00 0.00 H ATOM 8 HN1 ARG B 50 44.779 19.569 54.034 1.00 0.00 H ATOM 9 N ARG B 51 41.088 19.445 53.803 1.00 71.50 N ATOM 10 CA ARG B 51 39.659 19.177 53.722 1.00 65.43 C ATOM 11 C ARG B 51 39.204 18.305 54.884 1.00 72.47 C ATOM 12 O ARG B 51 39.911 17.386 55.307 1.00 70.49 O ATOM 13 CB ARG B 51 39.303 18.487 52.405 1.00 54.30 C ATOM 14 CG ARG B 51 39.121 19.420 51.222 1.00 50.10 C ATOM 15 CD ARG B 51 38.537 18.666 50.041 1.00 47.28 C ATOM 16 NE ARG B 51 39.226 17.397 49.830 1.00 50.27 N ATOM 17 CZ ARG B 51 39.044 16.609 48.775 1.00 51.24 C ATOM 18 NH1 ARG B 51 39.716 15.472 48.672 1.00 53.23 N ATOM 19 NH2 ARG B 51 38.194 16.957 47.822 1.00 50.95 N ATOM 20 HE ARG B 51 39.906 17.088 50.554 1.00 0.00 H ATOM 21 HH12 ARG B 51 39.573 14.856 47.846 1.00 0.00 H ATOM 22 HH11 ARG B 51 40.387 15.195 49.417 1.00 0.00 H ATOM 23 HH22 ARG B 51 38.054 16.338 46.998 1.00 0.00 H ATOM 24 HH21 ARG B 51 37.666 17.850 47.897 1.00 0.00 H ATOM 25 H ARG B 51 41.749 18.829 53.288 1.00 0.00 H ATOM 26 N ASN B 52 38.011 18.603 55.395 1.00 82.95 N ATOM 27 CA ASN B 52 37.338 17.716 56.334 1.00 87.20 C ATOM 28 C ASN B 52 36.214 16.983 55.615 1.00 78.62 C ATOM 29 O ASN B 52 36.359 15.817 55.233 1.00 81.86 O ATOM 30 CB ASN B 52 36.793 18.499 57.528 1.00 95.37 C ATOM 31 CG ASN B 52 37.891 19.074 58.397 1.00103.16 C ATOM 32 OD1 ASN B 52 39.001 18.544 58.444 1.00105.47 O ATOM 33 ND2 ASN B 52 37.586 20.162 59.096 1.00106.59 N ATOM 34 HD22 ASN B 52 36.635 20.576 59.025 1.00 0.00 H ATOM 35 HD21 ASN B 52 38.299 20.600 59.714 1.00 0.00 H ATOM 36 H ASN B 52 37.548 19.492 55.117 1.00 0.00 H ATOM 37 N ILE B 53 35.092 17.674 55.417 1.00 63.16 N ATOM 38 CA ILE B 53 33.948 17.139 54.698 1.00 46.90 C ATOM 39 C ILE B 53 33.594 17.997 53.489 1.00 36.20 C ATOM 40 O ILE B 53 33.315 17.471 52.404 1.00 32.24 O ATOM 41 CB ILE B 53 32.734 16.999 55.641 1.00 43.92 C ATOM 42 CG1 ILE B 53 31.581 16.265 54.959 1.00 39.46 C ATOM 43 CG2 ILE B 53 32.308 18.369 56.147 1.00 45.50 C ATOM 44 CD1 ILE B 53 31.694 14.757 55.034 1.00 39.09 C ATOM 45 H ILE B 53 35.032 18.641 55.795 1.00 0.00 H ATOM 46 N VAL B 54 33.620 19.323 53.645 1.00 34.77 N ATOM 47 CA VAL B 54 33.329 20.201 52.518 1.00 34.93 C ATOM 48 C VAL B 54 34.410 20.049 51.463 1.00 32.62 C ATOM 49 O VAL B 54 35.610 20.021 51.768 1.00 34.33 O ATOM 50 CB VAL B 54 33.201 21.657 52.991 1.00 38.12 C ATOM 51 CG1 VAL B 54 33.085 22.596 51.798 1.00 38.45 C ATOM 52 CG2 VAL B 54 31.994 21.796 53.904 1.00 39.07 C ATOM 53 H VAL B 54 33.849 19.731 54.574 1.00 0.00 H ATOM 54 N GLY B 55 33.988 19.950 50.206 1.00 32.15 N ATOM 55 CA GLY B 55 34.903 19.721 49.115 1.00 31.46 C ATOM 56 C GLY B 55 35.137 18.266 48.788 1.00 30.17 C ATOM 57 O GLY B 55 35.700 17.969 47.724 1.00 28.56 O ATOM 58 H GLY B 55 32.972 20.040 50.004 1.00 0.00 H ATOM 59 N CYS B 56 34.721 17.350 49.661 1.00 29.60 N ATOM 60 CA CYS B 56 34.862 15.924 49.422 1.00 28.91 C ATOM 61 C CYS B 56 33.681 15.399 48.622 1.00 26.93 C ATOM 62 O CYS B 56 32.576 15.948 48.657 1.00 27.77 O ATOM 63 CB CYS B 56 34.956 15.147 50.740 1.00 30.88 C ATOM 64 SG CYS B 56 36.394 15.523 51.743 1.00 37.95 S ATOM 65 H CYS B 56 34.279 17.668 50.547 1.00 0.00 H ATOM 66 N ARG B 57 33.928 14.325 47.890 1.00 26.36 N ATOM 67 CA ARG B 57 32.848 13.543 47.314 1.00 25.27 C ATOM 68 C ARG B 57 32.415 12.526 48.357 1.00 24.53 C ATOM 69 O ARG B 57 33.239 12.030 49.127 1.00 28.47 O ATOM 70 CB ARG B 57 33.290 12.862 46.019 1.00 26.79 C ATOM 71 CG ARG B 57 33.435 13.858 44.868 1.00 28.93 C ATOM 72 CD ARG B 57 33.909 13.206 43.587 1.00 30.40 C ATOM 73 NE ARG B 57 33.151 12.011 43.254 1.00 30.21 N ATOM 74 CZ ARG B 57 31.884 12.009 42.858 1.00 29.74 C ATOM 75 NH1 ARG B 57 31.205 13.148 42.760 1.00 30.10 N ATOM 76 NH2 ARG B 57 31.292 10.859 42.574 1.00 28.77 N ATOM 77 HE ARG B 57 33.635 11.094 43.331 1.00 0.00 H ATOM 78 HH12 ARG B 57 30.213 13.137 42.449 1.00 0.00 H ATOM 79 HH11 ARG B 57 31.666 14.050 42.994 1.00 0.00 H ATOM 80 HH22 ARG B 57 30.300 10.848 42.263 1.00 0.00 H ATOM 81 HH21 ARG B 57 31.819 9.967 42.662 1.00 0.00 H ATOM 82 H ARG B 57 34.913 14.035 47.724 1.00 0.00 H ATOM 83 N ILE B 58 31.113 12.262 48.418 1.00 22.32 N ATOM 84 CA ILE B 58 30.552 11.393 49.443 1.00 23.33 C ATOM 85 C ILE B 58 29.615 10.400 48.778 1.00 22.59 C ATOM 86 O ILE B 58 29.139 10.604 47.659 1.00 20.80 O ATOM 87 CB ILE B 58 29.784 12.177 50.536 1.00 22.42 C ATOM 88 CG1 ILE B 58 28.692 13.032 49.898 1.00 21.06 C ATOM 89 CG2 ILE B 58 30.737 13.046 51.349 1.00 25.47 C ATOM 90 CD1 ILE B 58 27.694 13.619 50.879 1.00 23.10 C ATOM 91 H ILE B 58 30.477 12.688 47.714 1.00 0.00 H ATOM 92 N GLN B 59 29.352 9.319 49.503 1.00 20.80 N ATOM 93 CA GLN B 59 28.314 8.361 49.181 1.00 24.02 C ATOM 94 C GLN B 59 27.530 8.050 50.445 1.00 23.84 C ATOM 95 O GLN B 59 28.099 8.000 51.540 1.00 23.75 O ATOM 96 CB GLN B 59 28.906 7.070 48.610 1.00 27.36 C ATOM 97 CG GLN B 59 27.879 6.001 48.333 1.00 33.37 C ATOM 98 CD GLN B 59 28.456 4.845 47.552 1.00 38.57 C ATOM 99 OE1 GLN B 59 29.520 4.966 46.950 1.00 39.63 O ATOM 100 NE2 GLN B 59 27.761 3.713 47.562 1.00 42.51 N ATOM 101 HE22 GLN B 59 26.865 3.658 48.086 1.00 0.00 H ATOM 102 HE21 GLN B 59 28.113 2.882 47.046 1.00 0.00 H ATOM 103 H GLN B 59 29.926 9.150 50.354 1.00 0.00 H ATOM 104 N HIS B 60 26.230 7.833 50.297 1.00 22.79 N ATOM 105 CA HIS B 60 25.440 7.395 51.435 1.00 23.14 C ATOM 106 C HIS B 60 24.180 6.712 50.937 1.00 24.99 C ATOM 107 O HIS B 60 23.787 6.852 49.774 1.00 25.69 O ATOM 108 CB HIS B 60 25.097 8.569 52.352 1.00 21.16 C ATOM 109 CG HIS B 60 24.169 9.571 51.749 1.00 21.47 C ATOM 110 ND1 HIS B 60 22.798 9.430 51.777 1.00 22.68 N ATOM 111 CD2 HIS B 60 24.411 10.750 51.127 1.00 21.80 C ATOM 112 CE1 HIS B 60 22.238 10.474 51.194 1.00 22.53 C ATOM 113 NE2 HIS B 60 23.195 11.289 50.793 1.00 22.12 N ATOM 114 H HIS B 60 25.778 7.976 49.371 1.00 0.00 H ATOM 115 N GLY B 61 23.572 5.949 51.829 1.00 24.38 N ATOM 116 CA GLY B 61 22.254 5.428 51.584 1.00 23.34 C ATOM 117 C GLY B 61 21.182 6.400 51.997 1.00 22.63 C ATOM 118 O GLY B 61 21.399 7.306 52.797 1.00 23.82 O ATOM 119 H GLY B 61 24.054 5.722 52.722 1.00 0.00 H ATOM 120 N TRP B 62 19.988 6.183 51.464 1.00 22.58 N ATOM 121 CA TRP B 62 18.854 7.043 51.751 1.00 25.15 C ATOM 122 C TRP B 62 17.614 6.175 51.853 1.00 28.54 C ATOM 123 O TRP B 62 17.397 5.304 51.001 1.00 29.19 O ATOM 124 CB TRP B 62 18.691 8.100 50.660 1.00 23.73 C ATOM 125 CG TRP B 62 17.603 9.092 50.893 1.00 25.60 C ATOM 126 CD1 TRP B 62 16.351 9.083 50.345 1.00 27.41 C ATOM 127 CD2 TRP B 62 17.672 10.257 51.716 1.00 26.53 C ATOM 128 NE1 TRP B 62 15.639 10.174 50.778 1.00 30.36 N ATOM 129 CE2 TRP B 62 16.428 10.910 51.622 1.00 29.04 C ATOM 130 CE3 TRP B 62 18.667 10.815 52.524 1.00 26.38 C ATOM 131 CZ2 TRP B 62 16.151 12.090 52.309 1.00 31.11 C ATOM 132 CZ3 TRP B 62 18.389 11.985 53.204 1.00 27.88 C ATOM 133 CH2 TRP B 62 17.145 12.611 53.091 1.00 30.45 C ATOM 134 HE1 TRP B 62 14.661 10.404 50.509 1.00 0.00 H ATOM 135 H TRP B 62 19.860 5.374 50.823 1.00 0.00 H ATOM 136 N LYS B 63 16.809 6.415 52.889 1.00 28.80 N ATOM 137 CA LYS B 63 15.659 5.569 53.196 1.00 32.38 C ATOM 138 C LYS B 63 14.544 6.416 53.788 1.00 36.42 C ATOM 139 O LYS B 63 14.730 7.035 54.842 1.00 35.97 O ATOM 140 CB LYS B 63 16.064 4.470 54.171 1.00 33.98 C ATOM 141 CG LYS B 63 14.964 3.495 54.544 1.00 37.06 C ATOM 142 CD LYS B 63 15.423 2.581 55.674 1.00 37.73 C ATOM 143 CE LYS B 63 14.853 1.187 55.522 1.00 42.02 C ATOM 144 NZ LYS B 63 13.421 1.253 55.186 1.00 45.77 N ATOM 145 HZ1 LYS B 63 12.911 1.748 55.945 1.00 0.00 H ATOM 146 HZ2 LYS B 63 13.300 1.769 54.291 1.00 0.00 H ATOM 147 HZ3 LYS B 63 13.045 0.289 55.085 1.00 0.00 H ATOM 148 H LYS B 63 17.007 7.233 53.500 1.00 0.00 H ATOM 149 N GLU B 64 13.389 6.428 53.126 1.00 41.77 N ATOM 150 CA GLU B 64 12.189 7.085 53.632 1.00 49.70 C ATOM 151 C GLU B 64 11.208 6.022 54.108 1.00 52.82 C ATOM 152 O GLU B 64 10.886 5.093 53.360 1.00 53.43 O ATOM 153 CB GLU B 64 11.528 7.959 52.560 1.00 54.73 C ATOM 154 CG GLU B 64 12.498 8.690 51.633 1.00 57.12 C ATOM 155 CD GLU B 64 12.242 10.188 51.551 1.00 64.24 C ATOM 156 OE1 GLU B 64 11.703 10.763 52.524 1.00 68.00 O ATOM 157 OE2 GLU B 64 12.588 10.791 50.510 1.00 65.03 O ATOM 158 H GLU B 64 13.340 5.947 52.205 1.00 0.00 H ATOM 159 N GLY B 65 10.733 6.158 55.344 1.00 59.87 N ATOM 160 CA GLY B 65 9.815 5.166 55.886 1.00 63.29 C ATOM 161 C GLY B 65 10.499 3.818 56.011 1.00 62.94 C ATOM 162 O GLY B 65 11.652 3.721 56.444 1.00 62.83 O ATOM 163 H GLY B 65 11.018 6.974 55.923 1.00 0.00 H ATOM 164 N ASN B 66 9.777 2.757 55.648 1.00 62.93 N ATOM 165 CA ASN B 66 10.372 1.436 55.501 1.00 60.45 C ATOM 166 C ASN B 66 10.646 1.098 54.038 1.00 54.70 C ATOM 167 O ASN B 66 10.787 -0.079 53.687 1.00 54.64 O ATOM 168 CB ASN B 66 9.489 0.367 56.137 1.00 65.58 C ATOM 169 CG ASN B 66 9.099 0.709 57.564 1.00 71.32 C ATOM 170 OD1 ASN B 66 8.561 1.785 57.830 1.00 74.60 O ATOM 171 ND2 ASN B 66 9.394 -0.194 58.495 1.00 72.64 N ATOM 172 HD22 ASN B 66 9.848 -1.090 58.225 1.00 0.00 H ATOM 173 HD21 ASN B 66 9.170 -0.004 59.493 1.00 0.00 H ATOM 174 H ASN B 66 8.760 2.876 55.465 1.00 0.00 H ATOM 175 N GLY B 67 10.723 2.119 53.176 1.00 50.03 N ATOM 176 CA GLY B 67 10.955 1.911 51.778 1.00 45.52 C ATOM 177 C GLY B 67 12.343 1.368 51.515 1.00 40.17 C ATOM 178 O GLY B 67 13.123 1.108 52.436 1.00 38.16 O ATOM 179 H GLY B 67 10.611 3.090 53.531 1.00 0.00 H ATOM 180 N PRO B 68 12.666 1.180 50.241 1.00 38.73 N ATOM 181 CA PRO B 68 13.983 0.641 49.909 1.00 36.27 C ATOM 182 C PRO B 68 15.069 1.676 50.129 1.00 32.38 C ATOM 183 O PRO B 68 14.845 2.883 50.021 1.00 32.09 O ATOM 184 CB PRO B 68 13.850 0.266 48.432 1.00 38.27 C ATOM 185 CG PRO B 68 12.802 1.179 47.912 1.00 40.84 C ATOM 186 CD PRO B 68 11.845 1.417 49.041 1.00 41.43 C ATOM 187 N VAL B 69 16.255 1.183 50.455 1.00 31.01 N ATOM 188 CA VAL B 69 17.431 2.033 50.572 1.00 30.52 C ATOM 189 C VAL B 69 18.011 2.259 49.183 1.00 28.61 C ATOM 190 O VAL B 69 18.285 1.301 48.451 1.00 29.87 O ATOM 191 CB VAL B 69 18.471 1.395 51.506 1.00 30.63 C ATOM 192 CG1 VAL B 69 19.722 2.256 51.577 1.00 28.38 C ATOM 193 CG2 VAL B 69 17.877 1.179 52.887 1.00 35.21 C ATOM 194 H VAL B 69 16.348 0.162 50.632 1.00 0.00 H ATOM 195 N THR B 70 18.199 3.524 48.820 1.00 29.27 N ATOM 196 CA THR B 70 18.855 3.891 47.578 1.00 27.61 C ATOM 197 C THR B 70 20.224 4.494 47.867 1.00 26.47 C ATOM 198 O THR B 70 20.456 5.087 48.928 1.00 23.66 O ATOM 199 CB THR B 70 17.995 4.871 46.772 1.00 25.98 C ATOM 200 OG1 THR B 70 17.574 5.953 47.606 1.00 25.40 O ATOM 201 CG2 THR B 70 16.759 4.175 46.239 1.00 26.92 C ATOM 202 HG1 THR B 70 17.042 5.598 48.362 1.00 0.00 H ATOM 203 H THR B 70 17.863 4.280 49.450 1.00 0.00 H ATOM 204 N GLN B 71 21.140 4.309 46.921 1.00 25.32 N ATOM 205 CA GLN B 71 22.517 4.759 47.056 1.00 24.34 C ATOM 206 C GLN B 71 22.719 6.041 46.261 1.00 23.46 C ATOM 207 O GLN B 71 22.269 6.153 45.113 1.00 21.22 O ATOM 208 CB GLN B 71 23.495 3.692 46.562 1.00 28.27 C ATOM 209 CG GLN B 71 23.271 2.319 47.153 1.00 36.59 C ATOM 210 CD GLN B 71 23.476 2.306 48.652 1.00 38.92 C ATOM 211 OE1 GLN B 71 24.162 3.170 49.199 1.00 38.75 O ATOM 212 NE2 GLN B 71 22.877 1.331 49.323 1.00 41.01 N ATOM 213 HE22 GLN B 71 22.308 0.624 48.815 1.00 0.00 H ATOM 214 HE21 GLN B 71 22.977 1.274 50.357 1.00 0.00 H ATOM 215 H GLN B 71 20.860 3.821 46.046 1.00 0.00 H ATOM 216 N TRP B 72 23.427 6.989 46.863 1.00 19.89 N ATOM 217 CA TRP B 72 23.611 8.311 46.286 1.00 18.71 C ATOM 218 C TRP B 72 25.075 8.697 46.369 1.00 25.72 C ATOM 219 O TRP B 72 25.743 8.420 47.369 1.00 27.03 O ATOM 220 CB TRP B 72 22.745 9.351 47.004 1.00 20.98 C ATOM 221 CG TRP B 72 21.300 9.047 46.868 1.00 21.95 C ATOM 222 CD1 TRP B 72 20.555 8.222 47.659 1.00 22.54 C ATOM 223 CD2 TRP B 72 20.422 9.531 45.850 1.00 24.27 C ATOM 224 NE1 TRP B 72 19.262 8.167 47.197 1.00 24.27 N ATOM 225 CE2 TRP B 72 19.156 8.963 46.086 1.00 24.33 C ATOM 226 CE3 TRP B 72 20.585 10.392 44.757 1.00 25.40 C ATOM 227 CZ2 TRP B 72 18.057 9.226 45.271 1.00 26.59 C ATOM 228 CZ3 TRP B 72 19.494 10.654 43.953 1.00 26.42 C ATOM 229 CH2 TRP B 72 18.245 10.076 44.214 1.00 26.42 C ATOM 230 HE1 TRP B 72 18.491 7.613 47.621 1.00 0.00 H ATOM 231 H TRP B 72 23.867 6.778 47.782 1.00 0.00 H ATOM 232 N LYS B 73 25.573 9.318 45.304 1.00 25.33 N ATOM 233 CA LYS B 73 26.939 9.815 45.239 1.00 24.50 C ATOM 234 C LYS B 73 26.897 11.296 44.905 1.00 23.75 C ATOM 235 O LYS B 73 26.112 11.725 44.050 1.00 22.81 O ATOM 236 CB LYS B 73 27.761 9.057 44.185 1.00 28.40 C ATOM 237 CG LYS B 73 28.023 7.597 44.517 1.00 32.74 C ATOM 238 CD LYS B 73 29.021 6.987 43.540 1.00 35.56 C ATOM 239 CE LYS B 73 29.706 5.758 44.131 1.00 38.18 C ATOM 240 H LYS B 73 24.957 9.455 44.478 1.00 0.00 H ATOM 241 N GLY B 74 27.744 12.080 45.560 1.00 23.11 N ATOM 242 CA GLY B 74 27.671 13.508 45.356 1.00 22.80 C ATOM 243 C GLY B 74 28.903 14.230 45.845 1.00 22.62 C ATOM 244 O GLY B 74 29.896 13.618 46.245 1.00 24.65 O ATOM 245 H GLY B 74 28.448 11.673 46.209 1.00 0.00 H ATOM 246 N THR B 75 28.814 15.551 45.816 1.00 21.45 N ATOM 247 CA THR B 75 29.905 16.425 46.215 1.00 22.77 C ATOM 248 C THR B 75 29.367 17.412 47.233 1.00 22.80 C ATOM 249 O THR B 75 28.339 18.048 46.989 1.00 21.88 O ATOM 250 CB THR B 75 30.482 17.188 45.018 1.00 23.09 C ATOM 251 OG1 THR B 75 30.812 16.272 43.964 1.00 25.26 O ATOM 252 CG2 THR B 75 31.720 17.958 45.430 1.00 21.84 C ATOM 253 HG1 THR B 75 31.184 16.774 43.196 1.00 0.00 H ATOM 254 H THR B 75 27.924 15.982 45.494 1.00 0.00 H ATOM 255 N VAL B 76 30.046 17.527 48.373 1.00 23.90 N ATOM 256 CA VAL B 76 29.650 18.474 49.412 1.00 22.61 C ATOM 257 C VAL B 76 30.158 19.854 49.020 1.00 24.30 C ATOM 258 O VAL B 76 31.370 20.076 48.942 1.00 27.69 O ATOM 259 CB VAL B 76 30.206 18.059 50.781 1.00 21.61 C ATOM 260 CG1 VAL B 76 29.795 19.079 51.861 1.00 20.61 C ATOM 261 CG2 VAL B 76 29.732 16.674 51.146 1.00 23.69 C ATOM 262 H VAL B 76 30.881 16.926 48.528 1.00 0.00 H ATOM 263 N LEU B 77 29.234 20.787 48.799 1.00 23.00 N ATOM 264 CA LEU B 77 29.587 22.118 48.320 1.00 24.32 C ATOM 265 C LEU B 77 29.896 23.102 49.437 1.00 24.21 C ATOM 266 O LEU B 77 30.707 24.017 49.241 1.00 21.72 O ATOM 267 CB LEU B 77 28.443 22.699 47.491 1.00 24.09 C ATOM 268 CG LEU B 77 27.943 21.835 46.340 1.00 24.39 C ATOM 269 CD1 LEU B 77 26.747 22.502 45.686 1.00 27.37 C ATOM 270 CD2 LEU B 77 29.066 21.610 45.362 1.00 26.25 C ATOM 271 H LEU B 77 28.234 20.560 48.973 1.00 0.00 H ATOM 272 N ASP B 78 29.264 22.947 50.595 1.00 24.94 N ATOM 273 CA ASP B 78 29.304 24.006 51.589 1.00 27.83 C ATOM 274 C ASP B 78 28.743 23.485 52.900 1.00 27.09 C ATOM 275 O ASP B 78 27.858 22.625 52.913 1.00 26.04 O ATOM 276 CB ASP B 78 28.496 25.226 51.125 1.00 30.65 C ATOM 277 CG ASP B 78 28.631 26.414 52.062 1.00 37.07 C ATOM 278 OD1 ASP B 78 29.614 26.463 52.831 1.00 36.61 O ATOM 279 OD2 ASP B 78 27.748 27.302 52.022 1.00 42.40 O ATOM 280 H ASP B 78 28.741 22.069 50.790 1.00 0.00 H ATOM 281 N GLN B 79 29.283 24.017 53.994 1.00 26.77 N ATOM 282 CA GLN B 79 28.726 23.877 55.332 1.00 27.05 C ATOM 283 C GLN B 79 28.221 25.253 55.732 1.00 27.28 C ATOM 284 O GLN B 79 29.004 26.207 55.793 1.00 30.06 O ATOM 285 CB GLN B 79 29.783 23.360 56.312 1.00 28.33 C ATOM 286 CG GLN B 79 29.350 23.314 57.777 1.00 31.26 C ATOM 287 CD GLN B 79 30.487 22.904 58.697 1.00 34.95 C ATOM 288 OE1 GLN B 79 31.651 23.215 58.444 1.00 37.03 O ATOM 289 NE2 GLN B 79 30.156 22.197 59.768 1.00 35.61 N ATOM 290 HE22 GLN B 79 29.160 21.956 59.944 1.00 0.00 H ATOM 291 HE21 GLN B 79 30.892 21.883 60.432 1.00 0.00 H ATOM 292 H GLN B 79 30.159 24.568 53.886 1.00 0.00 H ATOM 293 N VAL B 80 26.917 25.362 55.967 1.00 25.54 N ATOM 294 CA VAL B 80 26.252 26.659 56.075 1.00 26.39 C ATOM 295 C VAL B 80 26.684 27.379 57.353 1.00 27.98 C ATOM 296 O VAL B 80 26.473 26.861 58.464 1.00 27.34 O ATOM 297 CB VAL B 80 24.726 26.494 56.013 1.00 25.34 C ATOM 298 CG1 VAL B 80 24.035 27.834 56.188 1.00 27.09 C ATOM 299 CG2 VAL B 80 24.326 25.870 54.671 1.00 26.99 C ATOM 300 H VAL B 80 26.352 24.496 56.078 1.00 0.00 H ATOM 301 N PRO B 81 27.283 28.573 57.253 1.00 28.03 N ATOM 302 CA PRO B 81 27.771 29.239 58.480 1.00 31.29 C ATOM 303 C PRO B 81 26.711 29.441 59.553 1.00 32.19 C ATOM 304 O PRO B 81 26.982 29.181 60.732 1.00 34.55 O ATOM 305 CB PRO B 81 28.308 30.573 57.946 1.00 34.12 C ATOM 306 CG PRO B 81 28.749 30.258 56.554 1.00 31.43 C ATOM 307 CD PRO B 81 27.757 29.254 56.034 1.00 29.52 C ATOM 308 N VAL B 82 25.515 29.919 59.194 1.00 30.66 N ATOM 309 CA VAL B 82 24.501 30.170 60.216 1.00 31.55 C ATOM 310 C VAL B 82 23.867 28.895 60.743 1.00 30.47 C ATOM 311 O VAL B 82 23.107 28.961 61.717 1.00 31.45 O ATOM 312 CB VAL B 82 23.377 31.095 59.709 1.00 32.15 C ATOM 313 CG1 VAL B 82 23.930 32.461 59.377 1.00 33.50 C ATOM 314 CG2 VAL B 82 22.662 30.471 58.503 1.00 31.10 C ATOM 315 H VAL B 82 25.308 30.111 58.193 1.00 0.00 H ATOM 316 N ASN B 83 24.159 27.749 60.131 1.00 28.38 N ATOM 317 CA ASN B 83 23.720 26.449 60.641 1.00 29.05 C ATOM 318 C ASN B 83 24.760 25.412 60.256 1.00 25.43 C ATOM 319 O ASN B 83 24.666 24.779 59.194 1.00 25.02 O ATOM 320 CB ASN B 83 22.347 26.051 60.104 1.00 31.17 C ATOM 321 CG ASN B 83 21.855 24.737 60.690 1.00 34.90 C ATOM 322 OD1 ASN B 83 22.473 24.186 61.603 1.00 35.05 O ATOM 323 ND2 ASN B 83 20.738 24.233 60.175 1.00 35.97 N ATOM 324 HD22 ASN B 83 20.249 24.732 59.405 1.00 0.00 H ATOM 325 HD21 ASN B 83 20.353 23.339 60.542 1.00 0.00 H ATOM 326 H ASN B 83 24.721 27.779 59.256 1.00 0.00 H ATOM 327 N PRO B 84 25.785 25.216 61.092 1.00 27.47 N ATOM 328 CA PRO B 84 26.858 24.273 60.733 1.00 26.98 C ATOM 329 C PRO B 84 26.398 22.829 60.588 1.00 26.95 C ATOM 330 O PRO B 84 27.155 22.011 60.045 1.00 26.93 O ATOM 331 CB PRO B 84 27.864 24.427 61.882 1.00 32.52 C ATOM 332 CG PRO B 84 27.570 25.771 62.484 1.00 34.15 C ATOM 333 CD PRO B 84 26.107 25.996 62.299 1.00 31.89 C ATOM 334 N SER B 85 25.192 22.480 61.040 1.00 27.43 N ATOM 335 CA SER B 85 24.692 21.131 60.793 1.00 27.61 C ATOM 336 C SER B 85 24.264 20.938 59.346 1.00 26.96 C ATOM 337 O SER B 85 24.124 19.793 58.899 1.00 27.74 O ATOM 338 CB SER B 85 23.511 20.819 61.713 1.00 29.95 C ATOM 339 OG SER B 85 23.903 20.819 63.077 1.00 35.56 O ATOM 340 HG SER B 85 23.118 20.614 63.645 1.00 0.00 H ATOM 341 H SER B 85 24.612 23.165 61.565 1.00 0.00 H ATOM 342 N LEU B 86 24.054 22.025 58.609 1.00 25.45 N ATOM 343 CA LEU B 86 23.482 21.967 57.268 1.00 25.94 C ATOM 344 C LEU B 86 24.588 21.966 56.222 1.00 23.35 C ATOM 345 O LEU B 86 25.387 22.907 56.157 1.00 23.33 O ATOM 346 CB LEU B 86 22.539 23.150 57.037 1.00 27.44 C ATOM 347 CG LEU B 86 21.793 23.165 55.700 1.00 25.20 C ATOM 348 CD1 LEU B 86 20.955 21.920 55.531 1.00 25.58 C ATOM 349 CD2 LEU B 86 20.917 24.394 55.598 1.00 29.37 C ATOM 350 H LEU B 86 24.308 22.953 59.004 1.00 0.00 H ATOM 351 N TYR B 87 24.620 20.919 55.400 1.00 21.33 N ATOM 352 CA TYR B 87 25.536 20.819 54.273 1.00 25.34 C ATOM 353 C TYR B 87 24.757 20.883 52.968 1.00 22.62 C ATOM 354 O TYR B 87 23.699 20.259 52.840 1.00 22.36 O ATOM 355 CB TYR B 87 26.324 19.510 54.310 1.00 26.04 C ATOM 356 CG TYR B 87 27.244 19.399 55.495 1.00 27.73 C ATOM 357 CD1 TYR B 87 26.792 18.892 56.701 1.00 29.92 C ATOM 358 CD2 TYR B 87 28.562 19.823 55.412 1.00 28.24 C ATOM 359 CE1 TYR B 87 27.625 18.801 57.787 1.00 30.68 C ATOM 360 CE2 TYR B 87 29.402 19.731 56.496 1.00 30.74 C ATOM 361 CZ TYR B 87 28.929 19.219 57.680 1.00 31.97 C ATOM 362 OH TYR B 87 29.766 19.131 58.766 1.00 36.96 O ATOM 363 HH TYR B 87 29.272 18.743 59.531 1.00 0.00 H ATOM 364 H TYR B 87 23.959 20.135 55.571 1.00 0.00 H ATOM 365 N LEU B 88 25.288 21.637 52.007 1.00 23.20 N ATOM 366 CA LEU B 88 24.737 21.693 50.656 1.00 22.75 C ATOM 367 C LEU B 88 25.457 20.680 49.782 1.00 21.74 C ATOM 368 O LEU B 88 26.690 20.617 49.792 1.00 24.53 O ATOM 369 CB LEU B 88 24.885 23.094 50.060 1.00 23.53 C ATOM 370 CG LEU B 88 24.322 24.235 50.893 1.00 27.01 C ATOM 371 CD1 LEU B 88 24.430 25.537 50.123 1.00 27.77 C ATOM 372 CD2 LEU B 88 22.884 23.956 51.301 1.00 27.74 C ATOM 373 H LEU B 88 26.128 22.209 52.228 1.00 0.00 H ATOM 374 N ILE B 89 24.691 19.898 49.018 1.00 18.47 N ATOM 375 CA ILE B 89 25.222 18.746 48.302 1.00 16.85 C ATOM 376 C ILE B 89 24.748 18.790 46.851 1.00 17.43 C ATOM 377 O ILE B 89 23.594 19.134 46.570 1.00 18.55 O ATOM 378 CB ILE B 89 24.798 17.419 48.971 1.00 15.57 C ATOM 379 CG1 ILE B 89 25.315 17.356 50.417 1.00 20.62 C ATOM 380 CG2 ILE B 89 25.346 16.227 48.206 1.00 17.67 C ATOM 381 CD1 ILE B 89 24.572 16.339 51.309 1.00 20.16 C ATOM 382 H ILE B 89 23.679 20.119 48.931 1.00 0.00 H ATOM 383 N LYS B 90 25.656 18.474 45.934 1.00 19.33 N ATOM 384 CA LYS B 90 25.338 18.265 44.519 1.00 21.60 C ATOM 385 C LYS B 90 25.513 16.786 44.224 1.00 21.07 C ATOM 386 O LYS B 90 26.634 16.276 44.258 1.00 22.28 O ATOM 387 CB LYS B 90 26.245 19.094 43.612 1.00 23.05 C ATOM 388 CG LYS B 90 26.074 18.825 42.114 1.00 24.84 C ATOM 389 CD LYS B 90 24.785 19.407 41.575 1.00 25.97 C ATOM 390 CE LYS B 90 24.800 19.449 40.049 1.00 26.94 C ATOM 391 NZ LYS B 90 24.963 18.100 39.430 1.00 25.43 N ATOM 392 HZ1 LYS B 90 25.862 17.682 39.744 1.00 0.00 H ATOM 393 HZ2 LYS B 90 24.174 17.488 39.722 1.00 0.00 H ATOM 394 HZ3 LYS B 90 24.966 18.193 38.394 1.00 0.00 H ATOM 395 H LYS B 90 26.645 18.369 46.237 1.00 0.00 H ATOM 396 N TYR B 91 24.412 16.101 43.931 1.00 20.63 N ATOM 397 CA TYR B 91 24.455 14.686 43.615 1.00 19.96 C ATOM 398 C TYR B 91 24.744 14.510 42.130 1.00 21.17 C ATOM 399 O TYR B 91 24.202 15.235 41.295 1.00 23.26 O ATOM 400 CB TYR B 91 23.135 14.013 43.988 1.00 19.50 C ATOM 401 CG TYR B 91 22.912 13.952 45.482 1.00 20.49 C ATOM 402 CD1 TYR B 91 23.634 13.070 46.270 1.00 23.45 C ATOM 403 CD2 TYR B 91 21.990 14.787 46.096 1.00 21.21 C ATOM 404 CE1 TYR B 91 23.445 13.020 47.644 1.00 24.01 C ATOM 405 CE2 TYR B 91 21.793 14.748 47.467 1.00 23.78 C ATOM 406 CZ TYR B 91 22.523 13.861 48.230 1.00 24.12 C ATOM 407 OH TYR B 91 22.331 13.812 49.584 1.00 25.91 O ATOM 408 HH TYR B 91 22.929 13.128 49.976 1.00 0.00 H ATOM 409 H TYR B 91 23.496 16.593 43.928 1.00 0.00 H ATOM 410 N ASP B 92 25.634 13.571 41.815 1.00 22.09 N ATOM 411 CA ASP B 92 25.987 13.301 40.422 1.00 23.74 C ATOM 412 C ASP B 92 24.732 13.099 39.579 1.00 25.00 C ATOM 413 O ASP B 92 23.848 12.316 39.938 1.00 25.89 O ATOM 414 CB ASP B 92 26.873 12.054 40.332 1.00 28.09 C ATOM 415 CG ASP B 92 28.186 12.195 41.079 1.00 29.87 C ATOM 416 OD1 ASP B 92 28.443 13.261 41.677 1.00 30.71 O ATOM 417 OD2 ASP B 92 28.970 11.218 41.063 1.00 31.68 O ATOM 418 H ASP B 92 26.086 13.020 42.573 1.00 0.00 H ATOM 419 N GLY B 93 24.653 13.809 38.450 1.00 25.53 N ATOM 420 CA GLY B 93 23.565 13.621 37.518 1.00 26.03 C ATOM 421 C GLY B 93 22.273 14.313 37.881 1.00 25.75 C ATOM 422 O GLY B 93 21.331 14.290 37.076 1.00 26.45 O ATOM 423 H GLY B 93 25.390 14.512 38.238 1.00 0.00 H ATOM 424 N PHE B 94 22.190 14.927 39.057 1.00 24.26 N ATOM 425 CA PHE B 94 21.010 15.671 39.469 1.00 25.25 C ATOM 426 C PHE B 94 21.377 17.141 39.597 1.00 24.64 C ATOM 427 O PHE B 94 22.445 17.482 40.116 1.00 25.45 O ATOM 428 CB PHE B 94 20.454 15.107 40.777 1.00 26.36 C ATOM 429 CG PHE B 94 19.983 13.684 40.651 1.00 26.67 C ATOM 430 CD1 PHE B 94 20.869 12.631 40.798 1.00 25.90 C ATOM 431 CD2 PHE B 94 18.665 13.405 40.338 1.00 28.82 C ATOM 432 CE1 PHE B 94 20.438 11.324 40.650 1.00 28.96 C ATOM 433 CE2 PHE B 94 18.232 12.107 40.191 1.00 29.71 C ATOM 434 CZ PHE B 94 19.114 11.066 40.347 1.00 29.82 C ATOM 435 H PHE B 94 23.000 14.873 39.707 1.00 0.00 H ATOM 436 N ASP B 95 20.487 18.007 39.113 1.00 23.69 N ATOM 437 CA ASP B 95 20.831 19.397 38.854 1.00 24.59 C ATOM 438 C ASP B 95 20.534 20.335 40.023 1.00 22.53 C ATOM 439 O ASP B 95 21.093 21.434 40.065 1.00 23.80 O ATOM 440 CB ASP B 95 20.085 19.890 37.609 1.00 26.20 C ATOM 441 CG ASP B 95 20.373 19.041 36.366 1.00 29.36 C ATOM 442 OD1 ASP B 95 21.489 18.490 36.262 1.00 30.81 O ATOM 443 OD2 ASP B 95 19.485 18.928 35.494 1.00 32.50 O ATOM 444 H ASP B 95 19.520 17.680 38.915 1.00 0.00 H ATOM 445 N CYS B 96 19.661 19.957 40.951 1.00 23.01 N ATOM 446 CA CYS B 96 19.379 20.821 42.094 1.00 27.55 C ATOM 447 C CYS B 96 20.475 20.710 43.152 1.00 26.15 C ATOM 448 O CYS B 96 21.180 19.704 43.253 1.00 26.22 O ATOM 449 CB CYS B 96 18.034 20.470 42.730 1.00 29.97 C ATOM 450 SG CYS B 96 16.591 20.931 41.754 1.00 32.48 S ATOM 451 H CYS B 96 19.176 19.041 40.863 1.00 0.00 H ATOM 452 N VAL B 97 20.608 21.767 43.954 1.00 26.48 N ATOM 453 CA VAL B 97 21.439 21.736 45.150 1.00 24.92 C ATOM 454 C VAL B 97 20.552 21.364 46.328 1.00 26.35 C ATOM 455 O VAL B 97 19.500 21.978 46.546 1.00 26.70 O ATOM 456 CB VAL B 97 22.130 23.088 45.392 1.00 26.25 C ATOM 457 CG1 VAL B 97 22.917 23.050 46.696 1.00 26.72 C ATOM 458 CG2 VAL B 97 23.048 23.450 44.216 1.00 26.71 C ATOM 459 H VAL B 97 20.101 22.644 43.717 1.00 0.00 H ATOM 460 N TYR B 98 20.974 20.367 47.092 1.00 26.04 N ATOM 461 CA TYR B 98 20.188 19.868 48.206 1.00 23.88 C ATOM 462 C TYR B 98 20.872 20.207 49.523 1.00 24.02 C ATOM 463 O TYR B 98 22.101 20.252 49.607 1.00 22.87 O ATOM 464 CB TYR B 98 19.980 18.359 48.076 1.00 23.92 C ATOM 465 CG TYR B 98 19.140 18.023 46.871 1.00 25.11 C ATOM 466 CD1 TYR B 98 17.758 18.038 46.948 1.00 27.06 C ATOM 467 CD2 TYR B 98 19.728 17.725 45.646 1.00 26.47 C ATOM 468 CE1 TYR B 98 16.981 17.753 45.853 1.00 29.96 C ATOM 469 CE2 TYR B 98 18.949 17.440 44.537 1.00 27.16 C ATOM 470 CZ TYR B 98 17.581 17.456 44.651 1.00 28.63 C ATOM 471 OH TYR B 98 16.795 17.169 43.567 1.00 30.64 O ATOM 472 HH TYR B 98 15.842 17.227 43.828 1.00 0.00 H ATOM 473 H TYR B 98 21.895 19.929 46.888 1.00 0.00 H ATOM 474 N GLY B 99 20.055 20.457 50.542 1.00 23.92 N ATOM 475 CA GLY B 99 20.534 20.672 51.896 1.00 21.35 C ATOM 476 C GLY B 99 20.123 19.509 52.784 1.00 22.06 C ATOM 477 O GLY B 99 18.942 19.164 52.868 1.00 21.97 O ATOM 478 H GLY B 99 19.032 20.500 50.362 1.00 0.00 H ATOM 479 N LEU B 100 21.111 18.922 53.446 1.00 24.93 N ATOM 480 CA LEU B 100 20.872 17.875 54.427 1.00 23.86 C ATOM 481 C LEU B 100 21.591 18.207 55.722 1.00 24.79 C ATOM 482 O LEU B 100 22.758 18.607 55.706 1.00 24.09 O ATOM 483 CB LEU B 100 21.357 16.513 53.914 1.00 22.52 C ATOM 484 CG LEU B 100 20.606 15.874 52.742 1.00 23.92 C ATOM 485 CD1 LEU B 100 21.246 14.536 52.407 1.00 23.92 C ATOM 486 CD2 LEU B 100 19.130 15.684 53.051 1.00 26.88 C ATOM 487 H LEU B 100 22.089 19.220 53.257 1.00 0.00 H ATOM 488 N GLU B 101 20.894 18.023 56.842 1.00 27.05 N ATOM 489 CA GLU B 101 21.518 18.086 58.165 1.00 26.71 C ATOM 490 C GLU B 101 22.045 16.687 58.457 1.00 25.89 C ATOM 491 O GLU B 101 21.379 15.857 59.081 1.00 28.87 O ATOM 492 CB GLU B 101 20.529 18.587 59.208 1.00 30.80 C ATOM 493 CG GLU B 101 19.936 19.941 58.857 1.00 33.55 C ATOM 494 CD GLU B 101 19.165 20.582 59.994 1.00 41.58 C ATOM 495 OE1 GLU B 101 17.962 20.280 60.167 1.00 44.74 O ATOM 496 OE2 GLU B 101 19.767 21.401 60.712 1.00 43.56 O ATOM 497 H GLU B 101 19.875 17.828 56.775 1.00 0.00 H ATOM 498 N LEU B 102 23.275 16.434 57.999 1.00 26.57 N ATOM 499 CA LEU B 102 23.783 15.070 57.918 1.00 24.10 C ATOM 500 C LEU B 102 23.894 14.429 59.292 1.00 26.00 C ATOM 501 O LEU B 102 23.643 13.231 59.437 1.00 27.42 O ATOM 502 CB LEU B 102 25.144 15.047 57.219 1.00 23.29 C ATOM 503 CG LEU B 102 25.174 15.325 55.709 1.00 23.42 C ATOM 504 CD1 LEU B 102 26.619 15.413 55.245 1.00 24.29 C ATOM 505 CD2 LEU B 102 24.411 14.256 54.908 1.00 22.24 C ATOM 506 H LEU B 102 23.880 17.224 57.695 1.00 0.00 H ATOM 507 N ASN B 103 24.260 15.211 60.311 1.00 27.57 N ATOM 508 CA ASN B 103 24.544 14.668 61.638 1.00 29.73 C ATOM 509 C ASN B 103 23.296 14.251 62.402 1.00 31.15 C ATOM 510 O ASN B 103 23.431 13.722 63.512 1.00 34.75 O ATOM 511 CB ASN B 103 25.327 15.692 62.475 1.00 32.65 C ATOM 512 CG ASN B 103 24.506 16.928 62.824 1.00 37.43 C ATOM 513 OD1 ASN B 103 23.359 17.068 62.403 1.00 37.59 O ATOM 514 ND2 ASN B 103 25.093 17.826 63.615 1.00 43.07 N ATOM 515 HD22 ASN B 103 26.065 17.668 63.949 1.00 0.00 H ATOM 516 HD21 ASN B 103 24.579 18.684 63.898 1.00 0.00 H ATOM 517 H ASN B 103 24.345 16.236 60.156 1.00 0.00 H ATOM 518 N LYS B 104 22.099 14.492 61.878 1.00 30.49 N ATOM 519 CA LYS B 104 20.890 14.113 62.594 1.00 35.62 C ATOM 520 C LYS B 104 19.760 13.611 61.706 1.00 32.69 C ATOM 521 O LYS B 104 18.713 13.231 62.239 1.00 36.04 O ATOM 522 CB LYS B 104 20.381 15.296 63.431 1.00 44.68 C ATOM 523 CG LYS B 104 19.969 16.508 62.621 1.00 47.63 C ATOM 524 CD LYS B 104 19.779 17.730 63.515 1.00 53.71 C ATOM 525 CE LYS B 104 21.108 18.388 63.867 1.00 55.69 C ATOM 526 H LYS B 104 22.026 14.955 60.950 1.00 0.00 H ATOM 527 N ASP B 105 19.924 13.602 60.387 1.00 29.01 N ATOM 528 CA ASP B 105 18.883 13.116 59.489 1.00 27.94 C ATOM 529 C ASP B 105 18.890 11.594 59.515 1.00 27.67 C ATOM 530 O ASP B 105 19.805 10.966 58.976 1.00 28.90 O ATOM 531 CB ASP B 105 19.109 13.641 58.075 1.00 26.44 C ATOM 532 CG ASP B 105 17.883 13.505 57.216 1.00 28.09 C ATOM 533 OD1 ASP B 105 17.122 12.536 57.433 1.00 28.10 O ATOM 534 OD2 ASP B 105 17.674 14.370 56.336 1.00 27.35 O ATOM 535 H ASP B 105 20.818 13.951 59.985 1.00 0.00 H ATOM 536 N GLU B 106 17.863 11.004 60.134 1.00 30.36 N ATOM 537 CA GLU B 106 17.774 9.552 60.277 1.00 33.29 C ATOM 538 C GLU B 106 17.685 8.826 58.936 1.00 30.58 C ATOM 539 O GLU B 106 17.868 7.604 58.890 1.00 30.67 O ATOM 540 CB GLU B 106 16.552 9.195 61.118 1.00 43.47 C ATOM 541 CG GLU B 106 16.609 9.714 62.534 1.00 53.78 C ATOM 542 CD GLU B 106 17.165 8.693 63.501 1.00 63.60 C ATOM 543 OE1 GLU B 106 16.479 7.677 63.754 1.00 67.37 O ATOM 544 OE2 GLU B 106 18.289 8.902 64.005 1.00 67.23 O ATOM 545 H GLU B 106 17.103 11.596 60.526 1.00 0.00 H ATOM 546 N ARG B 107 17.379 9.537 57.857 1.00 29.57 N ATOM 547 CA ARG B 107 17.244 8.913 56.545 1.00 25.80 C ATOM 548 C ARG B 107 18.586 8.607 55.904 1.00 24.84 C ATOM 549 O ARG B 107 18.640 7.828 54.942 1.00 27.46 O ATOM 550 CB ARG B 107 16.421 9.822 55.630 1.00 26.52 C ATOM 551 CG ARG B 107 15.009 10.040 56.122 1.00 28.12 C ATOM 552 CD ARG B 107 14.292 11.133 55.354 1.00 28.36 C ATOM 553 NE ARG B 107 14.941 12.435 55.496 1.00 28.97 N ATOM 554 CZ ARG B 107 14.463 13.564 54.976 1.00 31.12 C ATOM 555 NH1 ARG B 107 13.331 13.556 54.281 1.00 33.17 N ATOM 556 NH2 ARG B 107 15.115 14.703 55.147 1.00 31.08 N ATOM 557 HE ARG B 107 15.829 12.483 56.035 1.00 0.00 H ATOM 558 HH12 ARG B 107 12.962 14.441 53.877 1.00 0.00 H ATOM 559 HH11 ARG B 107 12.813 12.665 54.141 1.00 0.00 H ATOM 560 HH22 ARG B 107 14.740 15.583 54.740 1.00 0.00 H ATOM 561 HH21 ARG B 107 16.003 14.718 55.688 1.00 0.00 H ATOM 562 H ARG B 107 17.232 10.562 57.949 1.00 0.00 H ATOM 563 N VAL B 108 19.657 9.189 56.417 1.00 23.49 N ATOM 564 CA VAL B 108 20.996 9.009 55.878 1.00 22.93 C ATOM 565 C VAL B 108 21.639 7.815 56.564 1.00 24.81 C ATOM 566 O VAL B 108 21.632 7.722 57.796 1.00 25.40 O ATOM 567 CB VAL B 108 21.837 10.278 56.089 1.00 23.56 C ATOM 568 CG1 VAL B 108 23.260 10.069 55.593 1.00 24.64 C ATOM 569 CG2 VAL B 108 21.181 11.470 55.402 1.00 24.26 C ATOM 570 H VAL B 108 19.536 9.805 57.246 1.00 0.00 H ATOM 571 N SER B 109 22.213 6.910 55.774 1.00 25.85 N ATOM 572 CA SER B 109 22.934 5.763 56.305 1.00 25.72 C ATOM 573 C SER B 109 24.258 5.594 55.574 1.00 25.93 C ATOM 574 O SER B 109 24.428 6.049 54.436 1.00 25.92 O ATOM 575 CB SER B 109 22.102 4.469 56.186 1.00 28.55 C ATOM 576 OG SER B 109 21.653 4.257 54.860 1.00 28.36 O ATOM 577 HG SER B 109 21.125 3.421 54.822 1.00 0.00 H ATOM 578 H SER B 109 22.144 7.027 54.743 1.00 0.00 H ATOM 579 N ALA B 110 25.209 4.958 56.262 1.00 26.04 N ATOM 580 CA ALA B 110 26.454 4.494 55.650 1.00 25.72 C ATOM 581 C ALA B 110 27.188 5.623 54.931 1.00 25.38 C ATOM 582 O ALA B 110 27.721 5.444 53.832 1.00 26.17 O ATOM 583 CB ALA B 110 26.183 3.328 54.699 1.00 28.63 C ATOM 584 H ALA B 110 25.058 4.785 57.276 1.00 0.00 H ATOM 585 N LEU B 111 27.239 6.793 55.572 1.00 23.83 N ATOM 586 CA LEU B 111 27.944 7.929 54.997 1.00 22.20 C ATOM 587 C LEU B 111 29.431 7.619 54.936 1.00 22.65 C ATOM 588 O LEU B 111 30.027 7.188 55.931 1.00 23.17 O ATOM 589 CB LEU B 111 27.694 9.201 55.815 1.00 22.65 C ATOM 590 CG LEU B 111 28.371 10.477 55.297 1.00 21.64 C ATOM 591 CD1 LEU B 111 27.854 10.847 53.924 1.00 24.00 C ATOM 592 CD2 LEU B 111 28.195 11.651 56.258 1.00 22.04 C ATOM 593 H LEU B 111 26.769 6.894 56.494 1.00 0.00 H ATOM 594 N GLU B 112 30.024 7.806 53.757 1.00 23.98 N ATOM 595 CA GLU B 112 31.450 7.605 53.570 1.00 27.78 C ATOM 596 C GLU B 112 31.991 8.650 52.606 1.00 27.49 C ATOM 597 O GLU B 112 31.271 9.169 51.750 1.00 25.78 O ATOM 598 CB GLU B 112 31.770 6.196 53.048 1.00 35.45 C ATOM 599 CG GLU B 112 30.987 5.775 51.823 1.00 42.33 C ATOM 600 CD GLU B 112 31.456 4.438 51.262 1.00 48.22 C ATOM 601 OE1 GLU B 112 32.559 4.385 50.676 1.00 49.60 O ATOM 602 OE2 GLU B 112 30.725 3.440 51.421 1.00 50.96 O ATOM 603 H GLU B 112 29.447 8.105 52.945 1.00 0.00 H ATOM 604 N VAL B 113 33.266 8.962 52.773 1.00 27.31 N ATOM 605 CA VAL B 113 33.975 9.856 51.871 1.00 27.80 C ATOM 606 C VAL B 113 34.527 9.018 50.735 1.00 29.67 C ATOM 607 O VAL B 113 35.106 7.950 50.964 1.00 30.00 O ATOM 608 CB VAL B 113 35.103 10.599 52.600 1.00 29.63 C ATOM 609 CG1 VAL B 113 35.887 11.467 51.627 1.00 28.32 C ATOM 610 CG2 VAL B 113 34.541 11.430 53.724 1.00 27.36 C ATOM 611 H VAL B 113 33.780 8.553 53.579 1.00 0.00 H ATOM 612 N LEU B 114 34.335 9.493 49.517 1.00 27.28 N ATOM 613 CA LEU B 114 34.878 8.825 48.351 1.00 30.06 C ATOM 614 C LEU B 114 36.202 9.461 47.954 1.00 30.27 C ATOM 615 O LEU B 114 36.335 10.691 47.994 1.00 32.00 O ATOM 616 CB LEU B 114 33.909 8.912 47.176 1.00 30.33 C ATOM 617 CG LEU B 114 32.533 8.306 47.413 1.00 29.97 C ATOM 618 CD1 LEU B 114 31.631 8.620 46.235 1.00 31.07 C ATOM 619 CD2 LEU B 114 32.648 6.801 47.633 1.00 32.77 C ATOM 620 H LEU B 114 33.782 10.365 49.392 1.00 0.00 H ATOM 621 N PRO B 115 37.206 8.673 47.582 1.00 29.73 N ATOM 622 CA PRO B 115 38.464 9.271 47.130 1.00 31.99 C ATOM 623 C PRO B 115 38.243 10.102 45.873 1.00 31.19 C ATOM 624 O PRO B 115 37.406 9.775 45.030 1.00 29.97 O ATOM 625 CB PRO B 115 39.358 8.059 46.837 1.00 33.83 C ATOM 626 CG PRO B 115 38.657 6.876 47.417 1.00 34.61 C ATOM 627 CD PRO B 115 37.207 7.209 47.428 1.00 33.06 C ATOM 628 N ASP B 116 39.002 11.188 45.756 1.00 32.20 N ATOM 629 CA ASP B 116 39.078 11.891 44.483 1.00 34.41 C ATOM 630 C ASP B 116 39.711 10.981 43.443 1.00 37.42 C ATOM 631 O ASP B 116 40.753 10.368 43.691 1.00 37.23 O ATOM 632 CB ASP B 116 39.903 13.172 44.609 1.00 35.87 C ATOM 633 CG ASP B 116 39.321 14.159 45.599 1.00 37.18 C ATOM 634 OD1 ASP B 116 40.114 14.800 46.310 1.00 38.02 O ATOM 635 OD2 ASP B 116 38.080 14.292 45.671 1.00 37.28 O ATOM 636 H ASP B 116 39.542 11.535 46.574 1.00 0.00 H ATOM 637 N ARG B 117 39.083 10.890 42.271 1.00 40.34 N ATOM 638 CA ARG B 117 39.692 10.123 41.192 1.00 43.31 C ATOM 639 C ARG B 117 40.786 10.918 40.492 1.00 42.94 C ATOM 640 O ARG B 117 41.760 10.331 40.010 1.00 45.12 O ATOM 641 CB ARG B 117 38.627 9.679 40.186 1.00 45.20 C ATOM 642 H ARG B 117 38.167 11.362 42.128 1.00 0.00 H ATOM 643 N VAL B 118 40.651 12.246 40.446 1.00 39.52 N ATOM 644 CA VAL B 118 41.614 13.119 39.791 1.00 39.77 C ATOM 645 C VAL B 118 41.877 14.335 40.671 1.00 39.86 C ATOM 646 O VAL B 118 41.062 14.714 41.516 1.00 38.63 O ATOM 647 CB VAL B 118 41.130 13.570 38.394 1.00 39.38 C ATOM 648 CG1 VAL B 118 40.972 12.371 37.489 1.00 38.05 C ATOM 649 CG2 VAL B 118 39.816 14.324 38.515 1.00 38.70 C ATOM 650 H VAL B 118 39.820 12.676 40.899 1.00 0.00 H ATOM 651 N ALA B 119 43.035 14.951 40.452 1.00 41.18 N ATOM 652 CA ALA B 119 43.412 16.149 41.184 1.00 43.54 C ATOM 653 C ALA B 119 42.806 17.390 40.541 1.00 46.24 C ATOM 654 O ALA B 119 42.611 17.457 39.323 1.00 47.59 O ATOM 655 CB ALA B 119 44.933 16.285 41.240 1.00 44.77 C ATOM 656 H ALA B 119 43.687 14.566 39.739 1.00 0.00 H ATOM 657 N THR B 120 42.510 18.381 41.374 1.00 48.86 N ATOM 658 CA THR B 120 41.947 19.634 40.889 1.00 51.95 C ATOM 659 C THR B 120 43.007 20.434 40.139 1.00 53.90 C ATOM 660 O THR B 120 42.688 21.239 39.266 1.00 55.25 O ATOM 661 CB THR B 120 41.378 20.486 42.042 1.00 54.66 C ATOM 662 OG1 THR B 120 42.444 20.917 42.897 1.00 58.27 O ATOM 663 CG2 THR B 120 40.379 19.680 42.857 1.00 52.46 C ATOM 664 HG1 THR B 120 42.073 21.463 43.635 1.00 0.00 H ATOM 665 H THR B 120 42.683 18.260 42.392 1.00 0.00 H TER 666 THR B 120 ATOM 667 N HIS B 127 36.468 32.667 35.912 1.00 78.80 N ATOM 668 CA HIS B 127 37.053 33.984 35.708 1.00 80.36 C ATOM 669 C HIS B 127 36.278 34.788 34.668 1.00 79.99 C ATOM 670 O HIS B 127 35.475 35.655 35.013 1.00 81.34 O ATOM 671 CB HIS B 127 38.518 33.856 35.284 1.00 83.06 C ATOM 672 HN3 HIS B 127 36.479 32.141 35.015 1.00 0.00 H ATOM 673 HN2 HIS B 127 35.487 32.772 36.242 1.00 0.00 H ATOM 674 HN1 HIS B 127 37.021 32.150 36.625 1.00 0.00 H ATOM 675 N LEU B 128 36.516 34.477 33.390 1.00 77.08 N ATOM 676 CA LEU B 128 36.003 35.315 32.308 1.00 75.00 C ATOM 677 C LEU B 128 34.479 35.368 32.304 1.00 71.87 C ATOM 678 O LEU B 128 33.890 36.426 32.056 1.00 73.64 O ATOM 679 CB LEU B 128 36.524 34.809 30.963 1.00 74.44 C ATOM 680 H LEU B 128 37.073 33.629 33.163 1.00 0.00 H ATOM 681 N ALA B 129 33.821 34.240 32.568 1.00 67.94 N ATOM 682 CA ALA B 129 32.365 34.186 32.537 1.00 65.14 C ATOM 683 C ALA B 129 31.719 34.731 33.808 1.00 62.07 C ATOM 684 O ALA B 129 30.502 34.586 33.968 1.00 58.79 O ATOM 685 CB ALA B 129 31.895 32.749 32.296 1.00 63.29 C ATOM 686 H ALA B 129 34.358 33.380 32.801 1.00 0.00 H ATOM 687 N ASP B 130 32.497 35.342 34.708 1.00 63.15 N ATOM 688 CA ASP B 130 31.912 36.059 35.840 1.00 62.17 C ATOM 689 C ASP B 130 30.828 37.025 35.378 1.00 59.70 C ATOM 690 O ASP B 130 29.835 37.243 36.082 1.00 57.41 O ATOM 691 CB ASP B 130 32.998 36.829 36.596 1.00 68.36 C ATOM 692 CG ASP B 130 33.714 35.988 37.637 1.00 70.37 C ATOM 693 OD1 ASP B 130 33.254 34.866 37.947 1.00 68.03 O ATOM 694 OD2 ASP B 130 34.748 36.466 38.153 1.00 73.22 O ATOM 695 H ASP B 130 33.531 35.307 34.601 1.00 0.00 H ATOM 696 N THR B 131 31.007 37.620 34.194 1.00 57.72 N ATOM 697 CA THR B 131 30.040 38.577 33.666 1.00 57.06 C ATOM 698 C THR B 131 28.619 38.025 33.643 1.00 52.92 C ATOM 699 O THR B 131 27.663 38.808 33.604 1.00 54.38 O ATOM 700 CB THR B 131 30.449 39.003 32.252 1.00 61.32 C ATOM 701 OG1 THR B 131 30.726 37.841 31.462 1.00 60.34 O ATOM 702 CG2 THR B 131 31.685 39.894 32.290 1.00 64.20 C ATOM 703 HG1 THR B 131 31.464 37.329 31.878 1.00 0.00 H ATOM 704 H THR B 131 31.856 37.395 33.636 1.00 0.00 H ATOM 705 N MET B 132 28.455 36.699 33.673 1.00 49.47 N ATOM 706 CA MET B 132 27.120 36.108 33.693 1.00 47.52 C ATOM 707 C MET B 132 26.392 36.360 35.008 1.00 42.10 C ATOM 708 O MET B 132 25.157 36.391 35.031 1.00 40.19 O ATOM 709 CB MET B 132 27.199 34.599 33.476 1.00 49.52 C ATOM 710 CG MET B 132 27.552 34.144 32.084 1.00 55.60 C ATOM 711 SD MET B 132 27.448 32.345 32.070 1.00 56.76 S ATOM 712 CE MET B 132 27.925 31.969 30.392 1.00 58.32 C ATOM 713 H MET B 132 29.290 36.079 33.682 1.00 0.00 H ATOM 714 N ILE B 133 27.122 36.506 36.113 1.00 41.05 N ATOM 715 CA ILE B 133 26.475 36.521 37.419 1.00 39.81 C ATOM 716 C ILE B 133 25.523 37.703 37.503 1.00 40.57 C ATOM 717 O ILE B 133 25.888 38.844 37.191 1.00 44.33 O ATOM 718 CB ILE B 133 27.524 36.559 38.539 1.00 40.60 C ATOM 719 CG1 ILE B 133 28.430 35.327 38.458 1.00 38.33 C ATOM 720 CG2 ILE B 133 26.839 36.609 39.903 1.00 38.83 C ATOM 721 CD1 ILE B 133 29.687 35.446 39.297 1.00 37.90 C ATOM 722 H ILE B 133 28.155 36.609 36.044 1.00 0.00 H ATOM 723 N GLY B 134 24.289 37.432 37.926 1.00 39.53 N ATOM 724 CA GLY B 134 23.265 38.445 38.033 1.00 41.00 C ATOM 725 C GLY B 134 22.464 38.669 36.772 1.00 43.07 C ATOM 726 O GLY B 134 21.492 39.435 36.803 1.00 43.93 O ATOM 727 H GLY B 134 24.054 36.454 38.189 1.00 0.00 H ATOM 728 N LYS B 135 22.835 38.024 35.668 1.00 41.82 N ATOM 729 CA LYS B 135 22.157 38.226 34.398 1.00 43.19 C ATOM 730 C LYS B 135 20.889 37.390 34.331 1.00 41.94 C ATOM 731 O LYS B 135 20.865 36.234 34.765 1.00 39.82 O ATOM 732 CB LYS B 135 23.080 37.846 33.239 1.00 44.61 C ATOM 733 CG LYS B 135 24.293 38.747 33.067 1.00 49.62 C ATOM 734 CD LYS B 135 23.934 40.029 32.335 1.00 54.94 C ATOM 735 CE LYS B 135 25.174 40.740 31.814 1.00 60.50 C ATOM 736 NZ LYS B 135 26.091 41.155 32.910 1.00 62.97 N ATOM 737 HZ1 LYS B 135 25.592 41.805 33.550 1.00 0.00 H ATOM 738 HZ2 LYS B 135 26.400 40.314 33.439 1.00 0.00 H ATOM 739 HZ3 LYS B 135 26.920 41.635 32.504 1.00 0.00 H ATOM 740 H LYS B 135 23.632 37.357 35.715 1.00 0.00 H ATOM 741 N ALA B 136 19.826 37.991 33.808 1.00 35.48 N ATOM 742 CA ALA B 136 18.662 37.219 33.402 1.00 35.72 C ATOM 743 C ALA B 136 19.009 36.432 32.147 1.00 33.71 C ATOM 744 O ALA B 136 19.701 36.933 31.258 1.00 37.40 O ATOM 745 CB ALA B 136 17.470 38.137 33.139 1.00 37.49 C ATOM 746 H ALA B 136 19.826 39.024 33.688 1.00 0.00 H ATOM 747 N VAL B 137 18.551 35.184 32.085 1.00 31.63 N ATOM 748 CA VAL B 137 18.937 34.281 31.010 1.00 32.91 C ATOM 749 C VAL B 137 17.747 33.452 30.556 1.00 33.76 C ATOM 750 O VAL B 137 16.741 33.311 31.255 1.00 33.79 O ATOM 751 CB VAL B 137 20.094 33.343 31.420 1.00 29.72 C ATOM 752 CG1 VAL B 137 21.306 34.149 31.812 1.00 30.65 C ATOM 753 CG2 VAL B 137 19.676 32.393 32.558 1.00 27.30 C ATOM 754 H VAL B 137 17.901 34.845 32.823 1.00 0.00 H ATOM 755 N GLU B 138 17.890 32.894 29.361 1.00 33.04 N ATOM 756 CA GLU B 138 16.985 31.885 28.840 1.00 34.52 C ATOM 757 C GLU B 138 17.816 30.640 28.589 1.00 30.80 C ATOM 758 O GLU B 138 18.754 30.668 27.786 1.00 32.12 O ATOM 759 CB GLU B 138 16.300 32.362 27.559 1.00 38.32 C ATOM 760 CG GLU B 138 15.504 31.284 26.840 1.00 41.43 C ATOM 761 CD GLU B 138 14.658 31.842 25.721 1.00 46.32 C ATOM 762 OE1 GLU B 138 13.529 32.289 26.008 1.00 47.53 O ATOM 763 OE2 GLU B 138 15.120 31.847 24.558 1.00 49.30 O ATOM 764 H GLU B 138 18.690 33.194 28.768 1.00 0.00 H ATOM 765 N HIS B 139 17.475 29.567 29.277 1.00 29.76 N ATOM 766 CA HIS B 139 18.285 28.357 29.335 1.00 30.48 C ATOM 767 C HIS B 139 17.507 27.255 28.624 1.00 32.17 C ATOM 768 O HIS B 139 16.464 26.809 29.116 1.00 32.03 O ATOM 769 CB HIS B 139 18.573 28.005 30.795 1.00 29.16 C ATOM 770 CG HIS B 139 19.684 27.017 30.996 1.00 28.79 C ATOM 771 ND1 HIS B 139 19.944 26.446 32.223 1.00 26.38 N ATOM 772 CD2 HIS B 139 20.603 26.506 30.143 1.00 29.98 C ATOM 773 CE1 HIS B 139 20.972 25.625 32.119 1.00 26.68 C ATOM 774 NE2 HIS B 139 21.393 25.646 30.866 1.00 28.31 N ATOM 775 H HIS B 139 16.580 29.586 29.806 1.00 0.00 H ATOM 776 N MET B 140 18.001 26.829 27.469 1.00 36.73 N ATOM 777 CA MET B 140 17.312 25.835 26.664 1.00 39.18 C ATOM 778 C MET B 140 17.754 24.441 27.082 1.00 36.95 C ATOM 779 O MET B 140 18.852 24.250 27.606 1.00 34.75 O ATOM 780 CB MET B 140 17.594 26.056 25.174 1.00 44.45 C ATOM 781 CG MET B 140 17.338 27.491 24.699 1.00 48.54 C ATOM 782 SD MET B 140 17.505 27.699 22.915 1.00 59.60 S ATOM 783 CE MET B 140 16.074 26.788 22.354 1.00 61.85 C ATOM 784 H MET B 140 18.905 27.217 27.131 1.00 0.00 H ATOM 785 N PHE B 141 16.883 23.462 26.848 1.00 38.36 N ATOM 786 CA PHE B 141 17.181 22.089 27.225 1.00 37.44 C ATOM 787 C PHE B 141 16.391 21.151 26.330 1.00 41.20 C ATOM 788 O PHE B 141 15.348 21.520 25.784 1.00 42.29 O ATOM 789 CB PHE B 141 16.869 21.827 28.712 1.00 32.96 C ATOM 790 CG PHE B 141 15.440 22.102 29.100 1.00 30.71 C ATOM 791 CD1 PHE B 141 15.042 23.371 29.477 1.00 29.87 C ATOM 792 CD2 PHE B 141 14.503 21.089 29.104 1.00 32.16 C ATOM 793 CE1 PHE B 141 13.736 23.623 29.836 1.00 31.05 C ATOM 794 CE2 PHE B 141 13.196 21.340 29.463 1.00 32.42 C ATOM 795 CZ PHE B 141 12.813 22.602 29.825 1.00 31.25 C ATOM 796 H PHE B 141 15.976 23.682 26.389 1.00 0.00 H ATOM 797 N GLU B 142 16.921 19.946 26.157 1.00 46.06 N ATOM 798 CA GLU B 142 16.274 18.940 25.326 1.00 54.61 C ATOM 799 C GLU B 142 15.168 18.265 26.126 1.00 63.71 C ATOM 800 O GLU B 142 15.402 17.787 27.239 1.00 59.62 O ATOM 801 CB GLU B 142 17.303 17.914 24.845 1.00 52.41 C ATOM 802 CG GLU B 142 16.988 17.278 23.506 1.00 54.17 C ATOM 803 CD GLU B 142 18.065 16.308 23.050 1.00 55.93 C ATOM 804 H GLU B 142 17.820 19.715 26.626 1.00 0.00 H ATOM 805 N THR B 143 13.962 18.239 25.568 1.00 80.88 N ATOM 806 CA THR B 143 12.810 17.700 26.286 1.00 93.66 C ATOM 807 C THR B 143 13.049 16.264 26.733 1.00100.05 C ATOM 808 O THR B 143 13.010 15.967 27.927 1.00100.93 O ATOM 809 CB THR B 143 11.533 17.746 25.433 1.00101.04 C ATOM 810 OG1 THR B 143 11.210 19.109 25.131 1.00102.04 O ATOM 811 CG2 THR B 143 10.375 17.106 26.176 1.00103.15 C ATOM 812 HG1 THR B 143 11.958 19.521 24.630 1.00 0.00 H ATOM 813 H THR B 143 13.837 18.609 24.604 1.00 0.00 H TER 814 THR B 143 ATOM 815 N ASP B 145 12.339 13.175 23.927 1.00 85.57 N ATOM 816 CA ASP B 145 11.042 13.165 23.260 1.00 87.95 C ATOM 817 C ASP B 145 11.055 14.052 22.019 1.00 86.71 C ATOM 818 O ASP B 145 10.009 14.353 21.443 1.00 88.30 O ATOM 819 CB ASP B 145 9.944 13.618 24.223 1.00 87.73 C ATOM 820 CG ASP B 145 9.725 12.639 25.359 1.00 88.85 C ATOM 821 HN3 ASP B 145 12.572 14.147 24.215 1.00 0.00 H ATOM 822 HN2 ASP B 145 13.067 12.822 23.273 1.00 0.00 H ATOM 823 HN1 ASP B 145 12.300 12.563 24.767 1.00 0.00 H ATOM 824 N GLY B 146 12.252 14.467 21.614 1.00 84.11 N ATOM 825 CA GLY B 146 12.400 15.340 20.468 1.00 84.68 C ATOM 826 C GLY B 146 12.476 16.810 20.832 1.00 80.34 C ATOM 827 O GLY B 146 13.568 17.380 20.920 1.00 77.06 O ATOM 828 H GLY B 146 13.100 14.158 22.131 1.00 0.00 H ATOM 829 N SER B 147 11.313 17.418 21.076 1.00 81.47 N ATOM 830 CA SER B 147 11.196 18.868 21.177 1.00 79.37 C ATOM 831 C SER B 147 12.184 19.453 22.180 1.00 70.15 C ATOM 832 O SER B 147 12.571 18.811 23.161 1.00 70.59 O ATOM 833 CB SER B 147 9.767 19.257 21.571 1.00 83.19 C ATOM 834 OG SER B 147 9.403 18.701 22.826 1.00 82.59 O ATOM 835 HG SER B 147 10.022 19.032 23.524 1.00 0.00 H ATOM 836 H SER B 147 10.459 16.837 21.199 1.00 0.00 H ATOM 837 N LYS B 148 12.592 20.689 21.916 1.00 62.16 N ATOM 838 CA LYS B 148 13.386 21.488 22.835 1.00 52.23 C ATOM 839 C LYS B 148 12.494 22.503 23.536 1.00 45.61 C ATOM 840 O LYS B 148 11.477 22.939 22.993 1.00 45.63 O ATOM 841 CB LYS B 148 14.509 22.213 22.097 1.00 52.52 C ATOM 842 CG LYS B 148 14.838 23.580 22.673 1.00 48.82 C ATOM 843 H LYS B 148 12.329 21.108 21.001 1.00 0.00 H ATOM 844 N ASP B 149 12.891 22.885 24.751 1.00 41.28 N ATOM 845 CA ASP B 149 12.125 23.821 25.552 1.00 41.02 C ATOM 846 C ASP B 149 13.106 24.801 26.187 1.00 39.34 C ATOM 847 O ASP B 149 14.322 24.715 25.982 1.00 39.82 O ATOM 848 CB ASP B 149 11.294 23.068 26.601 1.00 43.90 C ATOM 849 CG ASP B 149 10.172 23.910 27.187 1.00 46.41 C ATOM 850 OD1 ASP B 149 9.852 24.981 26.624 1.00 46.85 O ATOM 851 OD2 ASP B 149 9.609 23.490 28.222 1.00 46.21 O ATOM 852 H ASP B 149 13.777 22.500 25.136 1.00 0.00 H ATOM 853 N GLU B 150 12.583 25.739 26.969 1.00 36.05 N ATOM 854 CA GLU B 150 13.433 26.723 27.619 1.00 32.88 C ATOM 855 C GLU B 150 12.787 27.170 28.920 1.00 32.02 C ATOM 856 O GLU B 150 11.563 27.254 29.024 1.00 34.42 O ATOM 857 CB GLU B 150 13.682 27.937 26.712 1.00 36.38 C ATOM 858 CG GLU B 150 12.426 28.570 26.131 1.00 41.05 C ATOM 859 CD GLU B 150 11.684 29.465 27.114 1.00 42.80 C ATOM 860 OE1 GLU B 150 12.321 30.016 28.036 1.00 41.69 O ATOM 861 OE2 GLU B 150 10.458 29.621 26.949 1.00 45.89 O ATOM 862 H GLU B 150 11.554 25.770 27.118 1.00 0.00 H ATOM 863 N TRP B 151 13.627 27.457 29.907 1.00 30.09 N ATOM 864 CA TRP B 151 13.203 28.125 31.127 1.00 28.82 C ATOM 865 C TRP B 151 13.964 29.435 31.249 1.00 28.02 C ATOM 866 O TRP B 151 15.156 29.504 30.939 1.00 29.50 O ATOM 867 CB TRP B 151 13.462 27.271 32.370 1.00 29.16 C ATOM 868 CG TRP B 151 12.460 26.182 32.627 1.00 30.25 C ATOM 869 CD1 TRP B 151 11.444 25.780 31.813 1.00 32.70 C ATOM 870 CD2 TRP B 151 12.382 25.362 33.798 1.00 31.79 C ATOM 871 NE1 TRP B 151 10.743 24.753 32.398 1.00 32.93 N ATOM 872 CE2 TRP B 151 11.301 24.477 33.618 1.00 33.21 C ATOM 873 CE3 TRP B 151 13.127 25.289 34.979 1.00 31.71 C ATOM 874 CZ2 TRP B 151 10.946 23.531 34.573 1.00 34.48 C ATOM 875 CZ3 TRP B 151 12.776 24.345 35.924 1.00 33.78 C ATOM 876 CH2 TRP B 151 11.693 23.480 35.716 1.00 35.92 C ATOM 877 HE1 TRP B 151 9.924 24.266 31.983 1.00 0.00 H ATOM 878 H TRP B 151 14.628 27.194 29.804 1.00 0.00 H ATOM 879 N ARG B 152 13.280 30.472 31.698 1.00 29.57 N ATOM 880 CA ARG B 152 13.936 31.736 31.982 1.00 30.71 C ATOM 881 C ARG B 152 14.233 31.833 33.468 1.00 32.08 C ATOM 882 O ARG B 152 13.427 31.409 34.305 1.00 31.96 O ATOM 883 CB ARG B 152 13.077 32.902 31.525 1.00 31.66 C ATOM 884 CG ARG B 152 13.013 32.964 30.025 1.00 33.07 C ATOM 885 CD ARG B 152 12.241 34.150 29.544 1.00 35.69 C ATOM 886 NE ARG B 152 12.260 34.223 28.084 1.00 37.82 N ATOM 887 CZ ARG B 152 11.958 35.313 27.391 1.00 41.32 C ATOM 888 NH1 ARG B 152 12.001 35.292 26.062 1.00 42.78 N ATOM 889 NH2 ARG B 152 11.617 36.426 28.019 1.00 41.62 N ATOM 890 HE ARG B 152 12.527 33.368 27.556 1.00 0.00 H ATOM 891 HH12 ARG B 152 11.764 36.148 25.520 1.00 0.00 H ATOM 892 HH11 ARG B 152 12.272 34.420 25.564 1.00 0.00 H ATOM 893 HH22 ARG B 152 11.381 37.279 27.474 1.00 0.00 H ATOM 894 HH21 ARG B 152 11.585 36.448 29.058 1.00 0.00 H ATOM 895 H ARG B 152 12.255 30.382 31.851 1.00 0.00 H ATOM 896 N GLY B 153 15.406 32.360 33.780 1.00 31.99 N ATOM 897 CA GLY B 153 15.858 32.450 35.145 1.00 30.38 C ATOM 898 C GLY B 153 16.926 33.499 35.311 1.00 30.55 C ATOM 899 O GLY B 153 17.046 34.428 34.510 1.00 31.45 O ATOM 900 H GLY B 153 16.018 32.719 33.020 1.00 0.00 H ATOM 901 N MET B 154 17.697 33.347 36.382 1.00 30.75 N ATOM 902 CA MET B 154 18.721 34.313 36.744 1.00 32.66 C ATOM 903 C MET B 154 19.946 33.562 37.237 1.00 28.29 C ATOM 904 O MET B 154 19.829 32.658 38.070 1.00 27.13 O ATOM 905 CB MET B 154 18.204 35.265 37.828 1.00 40.71 C ATOM 906 CG MET B 154 19.141 36.405 38.193 1.00 47.97 C ATOM 907 SD MET B 154 18.859 36.991 39.885 1.00 54.26 S ATOM 908 CE MET B 154 17.066 37.021 39.964 1.00 56.00 C ATOM 909 H MET B 154 17.563 32.508 36.982 1.00 0.00 H ATOM 910 N VAL B 155 21.112 33.929 36.723 1.00 27.62 N ATOM 911 CA VAL B 155 22.361 33.377 37.227 1.00 26.77 C ATOM 912 C VAL B 155 22.666 34.055 38.553 1.00 26.86 C ATOM 913 O VAL B 155 22.714 35.285 38.639 1.00 29.38 O ATOM 914 CB VAL B 155 23.506 33.581 36.223 1.00 28.48 C ATOM 915 CG1 VAL B 155 24.802 33.000 36.781 1.00 27.24 C ATOM 916 CG2 VAL B 155 23.164 32.943 34.872 1.00 28.05 C ATOM 917 H VAL B 155 21.134 34.622 35.948 1.00 0.00 H ATOM 918 N LEU B 156 22.867 33.255 39.591 1.00 27.76 N ATOM 919 CA LEU B 156 22.950 33.788 40.946 1.00 27.80 C ATOM 920 C LEU B 156 24.378 33.997 41.415 1.00 28.91 C ATOM 921 O LEU B 156 24.675 35.016 42.044 1.00 32.64 O ATOM 922 CB LEU B 156 22.232 32.847 41.912 1.00 27.38 C ATOM 923 CG LEU B 156 20.734 32.683 41.664 1.00 28.88 C ATOM 924 CD1 LEU B 156 20.187 31.512 42.454 1.00 29.60 C ATOM 925 CD2 LEU B 156 19.984 33.965 42.018 1.00 30.88 C ATOM 926 H LEU B 156 22.967 32.231 39.437 1.00 0.00 H ATOM 927 N ALA B 157 25.268 33.057 41.122 1.00 29.92 N ATOM 928 CA ALA B 157 26.627 33.113 41.634 1.00 31.20 C ATOM 929 C ALA B 157 27.406 31.951 41.041 1.00 29.12 C ATOM 930 O ALA B 157 26.827 30.999 40.513 1.00 28.23 O ATOM 931 CB ALA B 157 26.655 33.037 43.168 1.00 31.09 C ATOM 932 H ALA B 157 24.987 32.263 40.512 1.00 0.00 H ATOM 933 N ARG B 158 28.728 32.034 41.151 1.00 32.13 N ATOM 934 CA ARG B 158 29.561 30.877 40.866 1.00 34.51 C ATOM 935 C ARG B 158 29.453 29.867 42.002 1.00 32.26 C ATOM 936 O ARG B 158 29.358 30.238 43.178 1.00 30.18 O ATOM 937 CB ARG B 158 31.015 31.298 40.673 1.00 41.39 C ATOM 938 CG ARG B 158 31.908 30.162 40.195 1.00 46.53 C ATOM 939 CD ARG B 158 33.347 30.606 40.017 1.00 52.15 C ATOM 940 NE ARG B 158 33.518 31.476 38.855 1.00 55.30 N ATOM 941 CZ ARG B 158 33.737 31.044 37.617 1.00 57.59 C ATOM 942 NH1 ARG B 158 33.880 31.916 36.626 1.00 59.93 N ATOM 943 NH2 ARG B 158 33.812 29.743 37.362 1.00 56.84 N ATOM 944 HE ARG B 158 33.465 32.503 39.007 1.00 0.00 H ATOM 945 HH12 ARG B 158 34.051 31.579 35.657 1.00 0.00 H ATOM 946 HH11 ARG B 158 33.821 32.936 36.819 1.00 0.00 H ATOM 947 HH22 ARG B 158 33.984 29.412 36.391 1.00 0.00 H ATOM 948 HH21 ARG B 158 33.699 29.055 38.133 1.00 0.00 H ATOM 949 H ARG B 158 29.168 32.930 41.442 1.00 0.00 H ATOM 950 N ALA B 159 29.472 28.572 41.644 1.00 30.29 N ATOM 951 CA ALA B 159 29.299 27.531 42.641 1.00 30.10 C ATOM 952 C ALA B 159 30.572 27.363 43.474 1.00 34.08 C ATOM 953 O ALA B 159 31.682 27.496 42.951 1.00 36.66 O ATOM 954 CB ALA B 159 28.942 26.203 41.984 1.00 29.24 C ATOM 955 H ALA B 159 29.612 28.314 40.646 1.00 0.00 H ATOM 956 N PRO B 160 30.430 27.037 44.774 1.00 34.29 N ATOM 957 CA PRO B 160 31.576 27.060 45.697 1.00 39.55 C ATOM 958 C PRO B 160 32.777 26.194 45.338 1.00 44.49 C ATOM 959 O PRO B 160 33.898 26.700 45.229 1.00 53.14 O ATOM 960 CB PRO B 160 30.960 26.573 47.016 1.00 36.92 C ATOM 961 CG PRO B 160 29.548 26.927 46.934 1.00 36.27 C ATOM 962 CD PRO B 160 29.150 26.926 45.495 1.00 34.40 C ATOM 963 N VAL B 161 32.571 24.888 45.203 1.00 38.98 N ATOM 964 CA VAL B 161 33.655 23.914 45.218 1.00 34.87 C ATOM 965 C VAL B 161 33.944 23.369 43.825 1.00 35.85 C ATOM 966 O VAL B 161 35.104 23.153 43.461 1.00 35.25 O ATOM 967 CB VAL B 161 33.319 22.767 46.196 1.00 30.87 C ATOM 968 CG1 VAL B 161 34.000 21.478 45.769 1.00 30.62 C ATOM 969 CG2 VAL B 161 33.705 23.151 47.629 1.00 32.33 C ATOM 970 H VAL B 161 31.596 24.547 45.082 1.00 0.00 H ATOM 971 N MET B 162 32.905 23.122 43.046 1.00 36.75 N ATOM 972 CA MET B 162 33.068 22.674 41.669 1.00 43.90 C ATOM 973 C MET B 162 33.254 23.931 40.829 1.00 50.35 C ATOM 974 O MET B 162 32.288 24.618 40.491 1.00 50.15 O ATOM 975 CB MET B 162 31.869 21.834 41.251 1.00 42.21 C ATOM 976 CG MET B 162 31.659 20.645 42.199 1.00 41.42 C ATOM 977 SD MET B 162 30.096 19.770 42.048 1.00 40.02 S ATOM 978 CE MET B 162 30.292 19.017 40.427 1.00 40.58 C ATOM 979 H MET B 162 31.946 23.251 43.426 1.00 0.00 H ATOM 980 N ASN B 163 34.515 24.241 40.518 1.00 59.76 N ATOM 981 CA ASN B 163 34.889 25.589 40.093 1.00 66.71 C ATOM 982 C ASN B 163 34.066 26.078 38.906 1.00 65.54 C ATOM 983 O ASN B 163 33.601 27.224 38.894 1.00 69.21 O ATOM 984 CB ASN B 163 36.380 25.625 39.748 1.00 73.32 C ATOM 985 H ASN B 163 35.248 23.506 40.580 1.00 0.00 H ATOM 986 N THR B 164 33.869 25.224 37.902 1.00 59.54 N ATOM 987 CA THR B 164 33.342 25.642 36.611 1.00 53.26 C ATOM 988 C THR B 164 31.813 25.646 36.557 1.00 41.40 C ATOM 989 O THR B 164 31.239 25.579 35.465 1.00 37.74 O ATOM 990 CB THR B 164 33.899 24.731 35.510 1.00 57.95 C ATOM 991 OG1 THR B 164 33.212 23.472 35.534 1.00 57.64 O ATOM 992 CG2 THR B 164 35.398 24.482 35.717 1.00 60.84 C ATOM 993 HG1 THR B 164 32.246 23.622 35.380 1.00 0.00 H ATOM 994 H THR B 164 34.101 24.220 38.046 1.00 0.00 H ATOM 995 N TRP B 165 31.142 25.729 37.698 1.00 35.25 N ATOM 996 CA TRP B 165 29.691 25.635 37.750 1.00 31.98 C ATOM 997 C TRP B 165 29.096 26.920 38.308 1.00 29.72 C ATOM 998 O TRP B 165 29.788 27.734 38.921 1.00 30.07 O ATOM 999 CB TRP B 165 29.245 24.453 38.609 1.00 32.12 C ATOM 1000 CG TRP B 165 29.716 23.110 38.123 1.00 31.66 C ATOM 1001 CD1 TRP B 165 31.006 22.671 38.027 1.00 30.79 C ATOM 1002 CD2 TRP B 165 28.891 22.023 37.703 1.00 29.02 C ATOM 1003 NE1 TRP B 165 31.030 21.378 37.572 1.00 29.89 N ATOM 1004 CE2 TRP B 165 29.742 20.958 37.369 1.00 28.70 C ATOM 1005 CE3 TRP B 165 27.510 21.847 37.583 1.00 26.01 C ATOM 1006 CZ2 TRP B 165 29.264 19.740 36.917 1.00 30.74 C ATOM 1007 CZ3 TRP B 165 27.040 20.640 37.136 1.00 27.60 C ATOM 1008 CH2 TRP B 165 27.911 19.600 36.807 1.00 29.58 C ATOM 1009 HE1 TRP B 165 31.885 20.810 37.408 1.00 0.00 H ATOM 1010 H TRP B 165 31.670 25.866 38.584 1.00 0.00 H ATOM 1011 N PHE B 166 27.796 27.097 38.087 1.00 27.53 N ATOM 1012 CA PHE B 166 27.104 28.308 38.502 1.00 28.75 C ATOM 1013 C PHE B 166 25.801 27.954 39.188 1.00 28.18 C ATOM 1014 O PHE B 166 25.094 27.033 38.761 1.00 26.24 O ATOM 1015 CB PHE B 166 26.801 29.222 37.314 1.00 31.57 C ATOM 1016 CG PHE B 166 28.018 29.834 36.704 1.00 34.76 C ATOM 1017 CD1 PHE B 166 28.831 29.093 35.869 1.00 36.09 C ATOM 1018 CD2 PHE B 166 28.350 31.149 36.963 1.00 38.50 C ATOM 1019 CE1 PHE B 166 29.953 29.650 35.305 1.00 39.53 C ATOM 1020 CE2 PHE B 166 29.476 31.714 36.398 1.00 42.62 C ATOM 1021 CZ PHE B 166 30.279 30.962 35.567 1.00 42.73 C ATOM 1022 H PHE B 166 27.259 26.349 37.604 1.00 0.00 H ATOM 1023 N TYR B 167 25.497 28.695 40.255 1.00 28.63 N ATOM 1024 CA TYR B 167 24.166 28.683 40.838 1.00 27.10 C ATOM 1025 C TYR B 167 23.208 29.453 39.939 1.00 24.15 C ATOM 1026 O TYR B 167 23.528 30.537 39.445 1.00 26.11 O ATOM 1027 CB TYR B 167 24.174 29.325 42.228 1.00 26.30 C ATOM 1028 CG TYR B 167 24.791 28.513 43.361 1.00 27.35 C ATOM 1029 CD1 TYR B 167 24.999 27.143 43.250 1.00 26.92 C ATOM 1030 CD2 TYR B 167 25.140 29.133 44.560 1.00 27.87 C ATOM 1031 CE1 TYR B 167 25.560 26.416 44.317 1.00 28.81 C ATOM 1032 CE2 TYR B 167 25.695 28.425 45.606 1.00 29.07 C ATOM 1033 CZ TYR B 167 25.900 27.071 45.484 1.00 29.90 C ATOM 1034 OH TYR B 167 26.449 26.384 46.540 1.00 29.97 O ATOM 1035 HH TYR B 167 26.533 25.427 46.301 1.00 0.00 H ATOM 1036 H TYR B 167 26.231 29.296 40.680 1.00 0.00 H ATOM 1037 N ILE B 168 22.019 28.894 39.743 1.00 22.31 N ATOM 1038 CA ILE B 168 20.996 29.513 38.916 1.00 22.83 C ATOM 1039 C ILE B 168 19.648 29.064 39.455 1.00 23.99 C ATOM 1040 O ILE B 168 19.535 28.006 40.080 1.00 25.68 O ATOM 1041 CB ILE B 168 21.204 29.140 37.422 1.00 22.15 C ATOM 1042 CG1 ILE B 168 20.129 29.766 36.533 1.00 23.71 C ATOM 1043 CG2 ILE B 168 21.248 27.624 37.249 1.00 23.33 C ATOM 1044 CD1 ILE B 168 20.432 29.681 35.007 1.00 24.52 C ATOM 1045 H ILE B 168 21.813 27.981 40.197 1.00 0.00 H ATOM 1046 N THR B 169 18.632 29.900 39.269 1.00 25.39 N ATOM 1047 CA THR B 169 17.265 29.536 39.620 1.00 26.75 C ATOM 1048 C THR B 169 16.339 30.019 38.512 1.00 26.60 C ATOM 1049 O THR B 169 16.755 30.749 37.613 1.00 25.82 O ATOM 1050 CB THR B 169 16.858 30.108 40.985 1.00 27.19 C ATOM 1051 OG1 THR B 169 15.633 29.502 41.418 1.00 28.02 O ATOM 1052 CG2 THR B 169 16.686 31.631 40.934 1.00 28.87 C ATOM 1053 HG1 THR B 169 15.760 28.523 41.497 1.00 0.00 H ATOM 1054 H THR B 169 18.817 30.839 38.862 1.00 0.00 H ATOM 1055 N TYR B 170 15.070 29.608 38.583 1.00 27.68 N ATOM 1056 CA TYR B 170 14.130 29.800 37.485 1.00 27.85 C ATOM 1057 C TYR B 170 12.751 30.188 37.993 1.00 30.34 C ATOM 1058 O TYR B 170 12.323 29.754 39.062 1.00 29.70 O ATOM 1059 CB TYR B 170 13.994 28.524 36.656 1.00 25.97 C ATOM 1060 CG TYR B 170 15.307 27.975 36.164 1.00 25.56 C ATOM 1061 CD1 TYR B 170 15.875 28.432 34.982 1.00 24.81 C ATOM 1062 CD2 TYR B 170 15.974 26.994 36.878 1.00 25.15 C ATOM 1063 CE1 TYR B 170 17.079 27.923 34.531 1.00 24.98 C ATOM 1064 CE2 TYR B 170 17.171 26.483 36.437 1.00 24.76 C ATOM 1065 CZ TYR B 170 17.717 26.950 35.260 1.00 24.99 C ATOM 1066 OH TYR B 170 18.913 26.437 34.813 1.00 25.48 O ATOM 1067 HH TYR B 170 19.162 26.877 33.962 1.00 0.00 H ATOM 1068 H TYR B 170 14.742 29.136 39.450 1.00 0.00 H ATOM 1069 N GLU B 171 12.023 30.968 37.183 1.00 31.27 N ATOM 1070 CA GLU B 171 10.673 31.350 37.587 1.00 32.89 C ATOM 1071 C GLU B 171 9.766 30.130 37.687 1.00 32.04 C ATOM 1072 O GLU B 171 8.910 30.054 38.577 1.00 32.49 O ATOM 1073 CB GLU B 171 10.088 32.372 36.612 1.00 35.02 C ATOM 1074 CG GLU B 171 10.794 33.713 36.609 1.00 35.36 C ATOM 1075 CD GLU B 171 10.226 34.662 35.558 1.00 38.66 C ATOM 1076 OE1 GLU B 171 9.178 35.295 35.817 1.00 40.32 O ATOM 1077 OE2 GLU B 171 10.824 34.759 34.470 1.00 36.65 O ATOM 1078 H GLU B 171 12.415 31.297 36.278 1.00 0.00 H ATOM 1079 N LYS B 172 9.935 29.164 36.783 1.00 30.67 N ATOM 1080 CA LYS B 172 9.095 27.974 36.793 1.00 35.20 C ATOM 1081 C LYS B 172 9.465 26.992 37.904 1.00 36.40 C ATOM 1082 O LYS B 172 8.672 26.092 38.199 1.00 39.26 O ATOM 1083 CB LYS B 172 9.170 27.273 35.434 1.00 38.25 C ATOM 1084 CG LYS B 172 8.713 28.164 34.284 1.00 42.04 C ATOM 1085 CD LYS B 172 8.176 27.354 33.112 1.00 46.22 C ATOM 1086 CE LYS B 172 7.748 28.259 31.971 1.00 51.49 C ATOM 1087 NZ LYS B 172 8.752 28.281 30.860 1.00 55.51 N ATOM 1088 HZ1 LYS B 172 9.663 28.627 31.224 1.00 0.00 H ATOM 1089 HZ2 LYS B 172 8.871 27.319 30.483 1.00 0.00 H ATOM 1090 HZ3 LYS B 172 8.417 28.912 30.104 1.00 0.00 H ATOM 1091 H LYS B 172 10.677 29.262 36.061 1.00 0.00 H ATOM 1092 N ASP B 173 10.634 27.145 38.522 1.00 34.70 N ATOM 1093 CA ASP B 173 11.033 26.302 39.652 1.00 32.90 C ATOM 1094 C ASP B 173 12.035 27.085 40.490 1.00 29.89 C ATOM 1095 O ASP B 173 13.253 26.967 40.315 1.00 27.60 O ATOM 1096 CB ASP B 173 11.623 24.973 39.183 1.00 34.13 C ATOM 1097 CG ASP B 173 11.637 23.923 40.282 1.00 36.85 C ATOM 1098 OD1 ASP B 173 10.970 24.144 41.312 1.00 38.04 O ATOM 1099 OD2 ASP B 173 12.320 22.888 40.119 1.00 36.80 O ATOM 1100 H ASP B 173 11.285 27.886 38.192 1.00 0.00 H ATOM 1101 N PRO B 174 11.548 27.924 41.408 1.00 29.09 N ATOM 1102 CA PRO B 174 12.418 28.857 42.136 1.00 29.09 C ATOM 1103 C PRO B 174 13.196 28.215 43.284 1.00 28.36 C ATOM 1104 O PRO B 174 13.204 28.716 44.416 1.00 27.62 O ATOM 1105 CB PRO B 174 11.433 29.921 42.629 1.00 31.87 C ATOM 1106 CG PRO B 174 10.140 29.201 42.786 1.00 33.30 C ATOM 1107 CD PRO B 174 10.124 28.115 41.743 1.00 29.43 C ATOM 1108 N VAL B 175 13.855 27.101 42.990 1.00 25.92 N ATOM 1109 CA VAL B 175 14.777 26.474 43.912 1.00 26.80 C ATOM 1110 C VAL B 175 16.172 26.573 43.305 1.00 25.42 C ATOM 1111 O VAL B 175 16.346 26.957 42.145 1.00 24.41 O ATOM 1112 CB VAL B 175 14.388 25.014 44.216 1.00 26.47 C ATOM 1113 CG1 VAL B 175 13.020 24.967 44.869 1.00 28.51 C ATOM 1114 CG2 VAL B 175 14.398 24.163 42.928 1.00 25.10 C ATOM 1115 H VAL B 175 13.703 26.661 42.060 1.00 0.00 H ATOM 1116 N LEU B 176 17.172 26.206 44.099 1.00 22.66 N ATOM 1117 CA LEU B 176 18.565 26.376 43.700 1.00 23.60 C ATOM 1118 C LEU B 176 19.006 25.243 42.780 1.00 23.69 C ATOM 1119 O LEU B 176 18.981 24.069 43.175 1.00 24.11 O ATOM 1120 CB LEU B 176 19.465 26.436 44.930 1.00 23.44 C ATOM 1121 CG LEU B 176 20.940 26.726 44.654 1.00 25.01 C ATOM 1122 CD1 LEU B 176 21.096 28.028 43.880 1.00 26.67 C ATOM 1123 CD2 LEU B 176 21.716 26.782 45.953 1.00 26.78 C ATOM 1124 H LEU B 176 16.957 25.788 45.027 1.00 0.00 H ATOM 1125 N TYR B 177 19.414 25.602 41.558 1.00 23.47 N ATOM 1126 CA TYR B 177 20.006 24.706 40.571 1.00 21.47 C ATOM 1127 C TYR B 177 21.479 25.032 40.368 1.00 21.91 C ATOM 1128 O TYR B 177 21.953 26.126 40.684 1.00 22.12 O ATOM 1129 CB TYR B 177 19.301 24.820 39.206 1.00 19.39 C ATOM 1130 CG TYR B 177 17.983 24.112 39.111 1.00 19.99 C ATOM 1131 CD1 TYR B 177 16.821 24.700 39.591 1.00 23.68 C ATOM 1132 CD2 TYR B 177 17.892 22.863 38.522 1.00 22.94 C ATOM 1133 CE1 TYR B 177 15.611 24.055 39.506 1.00 25.78 C ATOM 1134 CE2 TYR B 177 16.686 22.216 38.421 1.00 27.62 C ATOM 1135 CZ TYR B 177 15.550 22.814 38.915 1.00 28.23 C ATOM 1136 OH TYR B 177 14.344 22.168 38.819 1.00 30.11 O ATOM 1137 HH TYR B 177 13.636 22.732 39.220 1.00 0.00 H ATOM 1138 H TYR B 177 19.300 26.600 41.290 1.00 0.00 H ATOM 1139 N MET B 178 22.177 24.087 39.742 1.00 24.17 N ATOM 1140 CA MET B 178 23.613 24.192 39.507 1.00 25.38 C ATOM 1141 C MET B 178 23.941 23.576 38.150 1.00 25.33 C ATOM 1142 O MET B 178 23.652 22.397 37.938 1.00 24.79 O ATOM 1143 CB MET B 178 24.353 23.473 40.628 1.00 27.81 C ATOM 1144 CG MET B 178 25.839 23.566 40.596 1.00 30.85 C ATOM 1145 SD MET B 178 26.493 23.053 42.207 1.00 32.90 S ATOM 1146 CE MET B 178 28.187 22.724 41.765 1.00 30.35 C ATOM 1147 H MET B 178 21.678 23.239 39.406 1.00 0.00 H ATOM 1148 N TYR B 179 24.550 24.358 37.246 1.00 24.80 N ATOM 1149 CA TYR B 179 24.846 23.913 35.881 1.00 26.60 C ATOM 1150 C TYR B 179 26.195 24.450 35.411 1.00 26.27 C ATOM 1151 O TYR B 179 26.687 25.479 35.879 1.00 23.96 O ATOM 1152 CB TYR B 179 23.771 24.367 34.874 1.00 25.28 C ATOM 1153 CG TYR B 179 22.447 23.630 34.953 1.00 24.45 C ATOM 1154 CD1 TYR B 179 22.302 22.360 34.414 1.00 27.29 C ATOM 1155 CD2 TYR B 179 21.338 24.216 35.545 1.00 21.62 C ATOM 1156 CE1 TYR B 179 21.090 21.684 34.482 1.00 28.23 C ATOM 1157 CE2 TYR B 179 20.122 23.550 35.614 1.00 22.57 C ATOM 1158 CZ TYR B 179 20.003 22.285 35.080 1.00 25.36 C ATOM 1159 OH TYR B 179 18.801 21.612 35.140 1.00 27.06 O ATOM 1160 HH TYR B 179 18.899 20.725 34.711 1.00 0.00 H ATOM 1161 H TYR B 179 24.824 25.322 37.526 1.00 0.00 H ATOM 1162 N GLN B 180 26.774 23.756 34.431 1.00 30.13 N ATOM 1163 CA GLN B 180 27.970 24.243 33.746 1.00 31.67 C ATOM 1164 C GLN B 180 27.529 25.188 32.630 1.00 30.82 C ATOM 1165 O GLN B 180 27.467 24.831 31.450 1.00 31.71 O ATOM 1166 CB GLN B 180 28.787 23.080 33.203 1.00 34.37 C ATOM 1167 CG GLN B 180 29.314 22.148 34.279 1.00 36.03 C ATOM 1168 CD GLN B 180 30.188 21.059 33.716 1.00 37.93 C ATOM 1169 OE1 GLN B 180 31.410 21.096 33.855 1.00 41.44 O ATOM 1170 NE2 GLN B 180 29.567 20.075 33.078 1.00 36.73 N ATOM 1171 HE22 GLN B 180 28.531 20.087 32.986 1.00 0.00 H ATOM 1172 HE21 GLN B 180 30.116 19.292 32.670 1.00 0.00 H ATOM 1173 H GLN B 180 26.364 22.844 34.146 1.00 0.00 H ATOM 1174 N LEU B 181 27.229 26.432 33.020 1.00 27.98 N ATOM 1175 CA LEU B 181 26.555 27.355 32.107 1.00 27.61 C ATOM 1176 C LEU B 181 27.461 27.841 30.991 1.00 29.04 C ATOM 1177 O LEU B 181 26.964 28.221 29.927 1.00 31.88 O ATOM 1178 CB LEU B 181 26.004 28.556 32.873 1.00 25.32 C ATOM 1179 CG LEU B 181 24.877 28.262 33.856 1.00 23.20 C ATOM 1180 CD1 LEU B 181 24.406 29.565 34.505 1.00 22.36 C ATOM 1181 CD2 LEU B 181 23.717 27.559 33.177 1.00 22.96 C ATOM 1182 H LEU B 181 27.477 26.745 33.980 1.00 0.00 H ATOM 1183 N LEU B 182 28.775 27.872 31.201 1.00 30.44 N ATOM 1184 CA LEU B 182 29.643 28.310 30.120 1.00 35.01 C ATOM 1185 C LEU B 182 29.632 27.297 28.979 1.00 33.85 C ATOM 1186 O LEU B 182 29.554 27.680 27.806 1.00 35.71 O ATOM 1187 CB LEU B 182 31.064 28.545 30.633 1.00 39.89 C ATOM 1188 CG LEU B 182 32.033 29.149 29.605 1.00 43.94 C ATOM 1189 CD1 LEU B 182 31.438 30.371 28.911 1.00 44.41 C ATOM 1190 CD2 LEU B 182 33.350 29.522 30.261 1.00 47.49 C ATOM 1191 H LEU B 182 29.173 27.589 32.119 1.00 0.00 H ATOM 1192 N ASP B 183 29.684 26.001 29.305 1.00 34.77 N ATOM 1193 CA ASP B 183 29.501 24.970 28.288 1.00 36.23 C ATOM 1194 C ASP B 183 28.169 25.153 27.575 1.00 34.64 C ATOM 1195 O ASP B 183 28.116 25.220 26.343 1.00 33.59 O ATOM 1196 CB ASP B 183 29.577 23.578 28.916 1.00 40.52 C ATOM 1197 CG ASP B 183 30.945 23.266 29.487 1.00 47.50 C ATOM 1198 OD1 ASP B 183 31.878 24.072 29.279 1.00 50.39 O ATOM 1199 OD2 ASP B 183 31.085 22.213 30.150 1.00 49.84 O ATOM 1200 H ASP B 183 29.857 25.725 30.293 1.00 0.00 H ATOM 1201 N ASP B 184 27.076 25.252 28.339 1.00 32.88 N ATOM 1202 CA ASP B 184 25.769 25.445 27.717 1.00 33.40 C ATOM 1203 C ASP B 184 25.760 26.683 26.830 1.00 34.44 C ATOM 1204 O ASP B 184 25.147 26.682 25.755 1.00 36.62 O ATOM 1205 CB ASP B 184 24.683 25.539 28.786 1.00 31.28 C ATOM 1206 CG ASP B 184 24.412 24.205 29.453 1.00 34.05 C ATOM 1207 OD1 ASP B 184 25.169 23.245 29.187 1.00 35.14 O ATOM 1208 OD2 ASP B 184 23.441 24.109 30.231 1.00 32.21 O ATOM 1209 H ASP B 184 27.157 25.192 29.374 1.00 0.00 H ATOM 1210 N TYR B 185 26.440 27.748 27.253 1.00 32.81 N ATOM 1211 CA TYR B 185 26.510 28.943 26.418 1.00 33.06 C ATOM 1212 C TYR B 185 27.216 28.644 25.102 1.00 33.50 C ATOM 1213 O TYR B 185 26.746 29.041 24.030 1.00 32.64 O ATOM 1214 CB TYR B 185 27.225 30.069 27.162 1.00 33.57 C ATOM 1215 CG TYR B 185 27.314 31.334 26.349 1.00 34.87 C ATOM 1216 CD1 TYR B 185 26.217 32.174 26.226 1.00 35.23 C ATOM 1217 CD2 TYR B 185 28.483 31.681 25.688 1.00 37.17 C ATOM 1218 CE1 TYR B 185 26.282 33.325 25.477 1.00 37.03 C ATOM 1219 CE2 TYR B 185 28.558 32.841 24.927 1.00 39.36 C ATOM 1220 CZ TYR B 185 27.451 33.655 24.830 1.00 39.05 C ATOM 1221 OH TYR B 185 27.503 34.809 24.088 1.00 41.82 O ATOM 1222 HH TYR B 185 26.626 35.266 24.129 1.00 0.00 H ATOM 1223 H TYR B 185 26.920 27.728 28.176 1.00 0.00 H ATOM 1224 N LYS B 186 28.350 27.942 25.167 1.00 34.63 N ATOM 1225 CA LYS B 186 29.110 27.643 23.957 1.00 36.78 C ATOM 1226 C LYS B 186 28.326 26.753 23.004 1.00 36.63 C ATOM 1227 O LYS B 186 28.546 26.803 21.789 1.00 37.67 O ATOM 1228 CB LYS B 186 30.439 26.982 24.320 1.00 38.82 C ATOM 1229 CG LYS B 186 31.437 27.923 24.976 1.00 40.94 C ATOM 1230 CD LYS B 186 32.692 27.185 25.433 1.00 43.68 C ATOM 1231 H LYS B 186 28.695 27.605 26.088 1.00 0.00 H ATOM 1232 N GLU B 187 27.423 25.933 23.528 1.00 36.49 N ATOM 1233 CA GLU B 187 26.608 25.050 22.706 1.00 39.36 C ATOM 1234 C GLU B 187 25.360 25.738 22.171 1.00 40.53 C ATOM 1235 O GLU B 187 24.583 25.109 21.443 1.00 43.34 O ATOM 1236 CB GLU B 187 26.216 23.806 23.508 1.00 41.41 C ATOM 1237 CG GLU B 187 27.406 22.975 23.969 1.00 44.33 C ATOM 1238 CD GLU B 187 28.198 22.402 22.802 1.00 48.22 C ATOM 1239 H GLU B 187 27.293 25.921 24.560 1.00 0.00 H ATOM 1240 N GLY B 188 25.161 27.013 22.489 1.00 37.48 N ATOM 1241 CA GLY B 188 24.011 27.733 21.992 1.00 35.91 C ATOM 1242 C GLY B 188 22.745 27.494 22.772 1.00 34.07 C ATOM 1243 O GLY B 188 21.654 27.749 22.254 1.00 34.52 O ATOM 1244 H GLY B 188 25.843 27.500 23.105 1.00 0.00 H ATOM 1245 N ASP B 189 22.853 27.019 24.011 1.00 32.85 N ATOM 1246 CA ASP B 189 21.689 26.744 24.839 1.00 33.09 C ATOM 1247 C ASP B 189 21.527 27.740 25.980 1.00 29.73 C ATOM 1248 O ASP B 189 20.708 27.504 26.868 1.00 28.42 O ATOM 1249 CB ASP B 189 21.765 25.319 25.388 1.00 35.68 C ATOM 1250 CG ASP B 189 21.679 24.278 24.296 1.00 40.61 C ATOM 1251 OD1 ASP B 189 20.997 24.545 23.290 1.00 41.80 O ATOM 1252 OD2 ASP B 189 22.290 23.200 24.442 1.00 42.76 O ATOM 1253 H ASP B 189 23.801 26.839 24.400 1.00 0.00 H ATOM 1254 N LEU B 190 22.264 28.853 25.973 1.00 30.63 N ATOM 1255 CA LEU B 190 22.120 29.876 27.013 1.00 31.07 C ATOM 1256 C LEU B 190 22.116 31.250 26.357 1.00 32.07 C ATOM 1257 O LEU B 190 23.153 31.720 25.877 1.00 33.52 O ATOM 1258 CB LEU B 190 23.233 29.783 28.057 1.00 31.18 C ATOM 1259 CG LEU B 190 23.012 30.708 29.256 1.00 31.50 C ATOM 1260 CD1 LEU B 190 21.940 30.133 30.180 1.00 30.24 C ATOM 1261 CD2 LEU B 190 24.305 30.954 30.012 1.00 32.30 C ATOM 1262 H LEU B 190 22.957 28.998 25.211 1.00 0.00 H ATOM 1263 N ARG B 191 20.956 31.898 26.357 1.00 32.37 N ATOM 1264 CA ARG B 191 20.813 33.264 25.878 1.00 35.99 C ATOM 1265 C ARG B 191 20.878 34.215 27.068 1.00 36.35 C ATOM 1266 O ARG B 191 20.150 34.038 28.050 1.00 33.28 O ATOM 1267 CB ARG B 191 19.491 33.422 25.126 1.00 41.42 C ATOM 1268 CG ARG B 191 19.242 34.805 24.544 1.00 46.32 C ATOM 1269 CD ARG B 191 17.978 34.825 23.701 1.00 50.22 C ATOM 1270 H ARG B 191 20.113 31.407 26.716 1.00 0.00 H ATOM 1271 N ILE B 192 21.767 35.203 26.992 1.00 38.67 N ATOM 1272 CA ILE B 192 21.878 36.234 28.021 1.00 40.97 C ATOM 1273 C ILE B 192 21.010 37.416 27.614 1.00 41.09 C ATOM 1274 O ILE B 192 21.127 37.926 26.494 1.00 41.31 O ATOM 1275 CB ILE B 192 23.342 36.670 28.211 1.00 44.55 C ATOM 1276 CG1 ILE B 192 24.257 35.460 28.447 1.00 44.24 C ATOM 1277 CG2 ILE B 192 23.455 37.674 29.346 1.00 44.96 C ATOM 1278 CD1 ILE B 192 23.719 34.427 29.399 1.00 42.23 C ATOM 1279 H ILE B 192 22.405 35.242 26.171 1.00 0.00 H ATOM 1280 N MET B 193 20.144 37.856 28.520 1.00 42.61 N ATOM 1281 CA MET B 193 19.237 38.953 28.218 1.00 47.04 C ATOM 1282 C MET B 193 19.929 40.297 28.433 1.00 52.14 C ATOM 1283 O MET B 193 20.769 40.436 29.327 1.00 51.04 O ATOM 1284 CB MET B 193 17.999 38.888 29.104 1.00 47.71 C ATOM 1285 CG MET B 193 17.265 37.560 29.090 1.00 48.47 C ATOM 1286 SD MET B 193 16.377 37.259 27.556 1.00 52.45 S ATOM 1287 CE MET B 193 15.356 35.878 28.060 1.00 53.01 C ATOM 1288 H MET B 193 20.114 37.410 29.459 1.00 0.00 H ATOM 1289 N PRO B 194 19.577 41.311 27.645 1.00 61.56 N ATOM 1290 CA PRO B 194 20.172 42.633 27.857 1.00 66.81 C ATOM 1291 C PRO B 194 19.833 43.157 29.243 1.00 68.60 C ATOM 1292 O PRO B 194 18.771 42.867 29.799 1.00 68.33 O ATOM 1293 CB PRO B 194 19.535 43.491 26.759 1.00 70.11 C ATOM 1294 CG PRO B 194 18.242 42.808 26.459 1.00 69.17 C ATOM 1295 CD PRO B 194 18.524 41.339 26.616 1.00 64.77 C ATOM 1296 N ASP B 195 20.759 43.926 29.807 1.00 70.90 N ATOM 1297 CA ASP B 195 20.574 44.484 31.143 1.00 71.54 C ATOM 1298 C ASP B 195 20.064 45.921 31.076 1.00 73.07 C ATOM 1299 O ASP B 195 20.571 46.734 30.303 1.00 74.83 O ATOM 1300 CB ASP B 195 21.882 44.425 31.936 1.00 72.22 C ATOM 1301 H ASP B 195 21.634 44.135 29.285 1.00 0.00 H TER 1302 ASP B 195 ATOM 1303 N SER B 212 22.459 41.063 58.180 1.00 61.22 N ATOM 1304 CA SER B 212 21.278 41.152 57.327 1.00 57.85 C ATOM 1305 C SER B 212 20.196 40.189 57.821 1.00 50.40 C ATOM 1306 O SER B 212 20.117 39.904 59.019 1.00 49.51 O ATOM 1307 CB SER B 212 21.651 40.853 55.870 1.00 59.29 C ATOM 1308 OG SER B 212 22.250 39.575 55.757 1.00 60.02 O ATOM 1309 HG SER B 212 22.482 39.403 54.810 1.00 0.00 H ATOM 1310 HN3 SER B 212 22.830 40.092 58.156 1.00 0.00 H ATOM 1311 HN2 SER B 212 22.200 41.312 59.156 1.00 0.00 H ATOM 1312 HN1 SER B 212 23.186 41.722 57.834 1.00 0.00 H ATOM 1313 N LEU B 213 19.354 39.701 56.904 1.00 42.53 N ATOM 1314 CA LEU B 213 18.366 38.691 57.256 1.00 36.23 C ATOM 1315 C LEU B 213 18.961 37.294 57.354 1.00 32.94 C ATOM 1316 O LEU B 213 18.263 36.377 57.795 1.00 32.79 O ATOM 1317 CB LEU B 213 17.228 38.670 56.234 1.00 33.20 C ATOM 1318 CG LEU B 213 16.394 39.939 56.066 1.00 35.80 C ATOM 1319 CD1 LEU B 213 15.223 39.651 55.136 1.00 34.61 C ATOM 1320 CD2 LEU B 213 15.895 40.469 57.391 1.00 38.73 C ATOM 1321 H LEU B 213 19.406 40.048 55.925 1.00 0.00 H ATOM 1322 N VAL B 214 20.218 37.105 56.948 1.00 31.86 N ATOM 1323 CA VAL B 214 20.819 35.779 57.008 1.00 29.52 C ATOM 1324 C VAL B 214 20.874 35.325 58.457 1.00 29.87 C ATOM 1325 O VAL B 214 21.264 36.083 59.353 1.00 32.31 O ATOM 1326 CB VAL B 214 22.213 35.786 56.362 1.00 31.71 C ATOM 1327 CG1 VAL B 214 22.822 34.396 56.401 1.00 32.48 C ATOM 1328 CG2 VAL B 214 22.133 36.279 54.919 1.00 33.69 C ATOM 1329 H VAL B 214 20.771 37.908 56.587 1.00 0.00 H ATOM 1330 N GLY B 215 20.479 34.078 58.694 1.00 28.36 N ATOM 1331 CA GLY B 215 20.410 33.542 60.033 1.00 29.66 C ATOM 1332 C GLY B 215 19.076 33.733 60.715 1.00 30.24 C ATOM 1333 O GLY B 215 18.842 33.115 61.759 1.00 31.90 O ATOM 1334 H GLY B 215 20.212 33.471 57.892 1.00 0.00 H ATOM 1335 N LYS B 216 18.195 34.568 60.167 1.00 30.48 N ATOM 1336 CA LYS B 216 16.900 34.802 60.785 1.00 32.99 C ATOM 1337 C LYS B 216 15.947 33.653 60.485 1.00 31.50 C ATOM 1338 O LYS B 216 16.025 33.010 59.434 1.00 29.98 O ATOM 1339 CB LYS B 216 16.293 36.114 60.290 1.00 36.04 C ATOM 1340 CG LYS B 216 17.182 37.331 60.512 1.00 42.14 C ATOM 1341 CD LYS B 216 17.435 37.589 61.990 1.00 46.93 C ATOM 1342 H LYS B 216 18.437 35.060 59.283 1.00 0.00 H ATOM 1343 N GLN B 217 15.054 33.388 61.435 1.00 30.17 N ATOM 1344 CA GLN B 217 13.998 32.417 61.219 1.00 29.85 C ATOM 1345 C GLN B 217 12.956 33.004 60.282 1.00 28.06 C ATOM 1346 O GLN B 217 12.701 34.211 60.275 1.00 28.05 O ATOM 1347 CB GLN B 217 13.335 32.018 62.539 1.00 33.54 C ATOM 1348 CG GLN B 217 14.219 31.215 63.490 1.00 40.44 C ATOM 1349 CD GLN B 217 14.447 29.790 63.019 1.00 44.58 C ATOM 1350 OE1 GLN B 217 13.617 29.217 62.310 1.00 43.93 O ATOM 1351 NE2 GLN B 217 15.578 29.209 63.413 1.00 48.24 N ATOM 1352 HE22 GLN B 217 16.250 29.731 64.011 1.00 0.00 H ATOM 1353 HE21 GLN B 217 15.790 28.233 63.123 1.00 0.00 H ATOM 1354 H GLN B 217 15.114 33.885 62.347 1.00 0.00 H ATOM 1355 N VAL B 218 12.353 32.138 59.486 1.00 26.65 N ATOM 1356 CA VAL B 218 11.331 32.552 58.541 1.00 27.15 C ATOM 1357 C VAL B 218 10.159 31.596 58.675 1.00 28.33 C ATOM 1358 O VAL B 218 10.327 30.417 59.007 1.00 30.32 O ATOM 1359 CB VAL B 218 11.874 32.574 57.092 1.00 30.03 C ATOM 1360 CG1 VAL B 218 12.400 31.216 56.711 1.00 30.80 C ATOM 1361 CG2 VAL B 218 10.799 33.038 56.113 1.00 30.20 C ATOM 1362 H VAL B 218 12.617 31.134 59.538 1.00 0.00 H ATOM 1363 N GLU B 219 8.961 32.118 58.449 1.00 27.64 N ATOM 1364 CA GLU B 219 7.780 31.283 58.334 1.00 31.05 C ATOM 1365 C GLU B 219 6.905 31.829 57.217 1.00 31.98 C ATOM 1366 O GLU B 219 6.921 33.029 56.927 1.00 31.09 O ATOM 1367 CB GLU B 219 6.993 31.225 59.651 1.00 34.96 C ATOM 1368 CG GLU B 219 6.204 32.469 59.980 1.00 40.56 C ATOM 1369 CD GLU B 219 4.826 32.483 59.345 1.00 45.50 C ATOM 1370 OE1 GLU B 219 4.380 33.569 58.922 1.00 48.30 O ATOM 1371 OE2 GLU B 219 4.187 31.413 59.272 1.00 47.60 O ATOM 1372 H GLU B 219 8.866 33.149 58.352 1.00 0.00 H ATOM 1373 N TYR B 220 6.128 30.949 56.593 1.00 34.94 N ATOM 1374 CA TYR B 220 5.006 31.442 55.813 1.00 38.45 C ATOM 1375 C TYR B 220 3.789 30.566 56.051 1.00 39.81 C ATOM 1376 O TYR B 220 3.905 29.381 56.365 1.00 36.92 O ATOM 1377 CB TYR B 220 5.335 31.551 54.316 1.00 41.50 C ATOM 1378 CG TYR B 220 5.403 30.269 53.522 1.00 44.67 C ATOM 1379 CD1 TYR B 220 4.248 29.627 53.101 1.00 48.16 C ATOM 1380 CD2 TYR B 220 6.624 29.740 53.138 1.00 46.19 C ATOM 1381 CE1 TYR B 220 4.308 28.471 52.353 1.00 50.91 C ATOM 1382 CE2 TYR B 220 6.696 28.587 52.391 1.00 49.11 C ATOM 1383 CZ TYR B 220 5.536 27.954 52.000 1.00 52.47 C ATOM 1384 OH TYR B 220 5.608 26.800 51.252 1.00 55.89 O ATOM 1385 HH TYR B 220 4.693 26.477 51.057 1.00 0.00 H ATOM 1386 H TYR B 220 6.319 29.929 56.662 1.00 0.00 H ATOM 1387 N ALA B 221 2.620 31.184 55.925 1.00 46.46 N ATOM 1388 CA ALA B 221 1.342 30.490 56.005 1.00 53.13 C ATOM 1389 C ALA B 221 0.264 31.377 55.399 1.00 54.66 C ATOM 1390 O ALA B 221 0.451 32.588 55.282 1.00 54.10 O ATOM 1391 CB ALA B 221 1.001 30.134 57.444 1.00 57.09 C ATOM 1392 H ALA B 221 2.617 32.211 55.762 1.00 0.00 H TER 1393 ALA B 221 ATOM 1394 N GLY B 225 -1.407 26.331 53.076 1.00 62.62 N ATOM 1395 CA GLY B 225 -0.137 26.916 53.462 1.00 61.94 C ATOM 1396 C GLY B 225 0.088 26.866 54.958 1.00 64.03 C ATOM 1397 O GLY B 225 0.280 27.898 55.599 1.00 63.71 O ATOM 1398 HN3 GLY B 225 -2.181 26.851 53.536 1.00 0.00 H ATOM 1399 HN2 GLY B 225 -1.433 25.335 53.373 1.00 0.00 H ATOM 1400 HN1 GLY B 225 -1.514 26.389 52.043 1.00 0.00 H ATOM 1401 N SER B 226 0.061 25.653 55.516 1.00 66.66 N ATOM 1402 CA SER B 226 0.263 25.444 56.946 1.00 66.84 C ATOM 1403 C SER B 226 1.544 26.128 57.404 1.00 62.92 C ATOM 1404 O SER B 226 2.372 26.518 56.576 1.00 62.56 O ATOM 1405 CB SER B 226 0.304 23.946 57.262 1.00 69.18 C ATOM 1406 OG SER B 226 0.044 23.706 58.632 1.00 70.69 O ATOM 1407 HG SER B 226 0.077 22.732 58.807 1.00 0.00 H ATOM 1408 H SER B 226 -0.110 24.826 54.909 1.00 0.00 H ATOM 1409 N LYS B 227 1.725 26.291 58.717 1.00 58.34 N ATOM 1410 CA LYS B 227 2.878 27.052 59.205 1.00 51.88 C ATOM 1411 C LYS B 227 4.154 26.306 58.852 1.00 48.65 C ATOM 1412 O LYS B 227 4.574 25.382 59.554 1.00 47.97 O ATOM 1413 CB LYS B 227 2.804 27.309 60.704 1.00 50.71 C ATOM 1414 CG LYS B 227 3.901 28.287 61.130 1.00 47.98 C ATOM 1415 CD LYS B 227 4.066 28.434 62.634 1.00 49.49 C ATOM 1416 CE LYS B 227 5.202 29.412 62.934 1.00 47.71 C ATOM 1417 NZ LYS B 227 5.448 29.560 64.394 1.00 48.68 N ATOM 1418 HZ1 LYS B 227 4.586 29.915 64.855 1.00 0.00 H ATOM 1419 HZ2 LYS B 227 5.703 28.636 64.797 1.00 0.00 H ATOM 1420 HZ3 LYS B 227 6.226 30.233 64.547 1.00 0.00 H ATOM 1421 H LYS B 227 1.049 25.879 59.392 1.00 0.00 H ATOM 1422 N ARG B 228 4.782 26.727 57.757 1.00 45.57 N ATOM 1423 CA ARG B 228 6.045 26.173 57.295 1.00 41.76 C ATOM 1424 C ARG B 228 7.181 27.050 57.812 1.00 38.20 C ATOM 1425 O ARG B 228 7.149 28.269 57.630 1.00 38.40 O ATOM 1426 CB ARG B 228 6.046 26.107 55.768 1.00 42.41 C ATOM 1427 CG ARG B 228 7.174 25.310 55.155 1.00 41.58 C ATOM 1428 CD ARG B 228 7.020 25.215 53.633 1.00 41.45 C ATOM 1429 NE ARG B 228 7.902 24.197 53.072 1.00 40.63 N ATOM 1430 CZ ARG B 228 8.339 24.178 51.818 1.00 41.03 C ATOM 1431 NH1 ARG B 228 7.990 25.129 50.956 1.00 38.93 N ATOM 1432 NH2 ARG B 228 9.138 23.196 51.426 1.00 41.79 N ATOM 1433 HE ARG B 228 8.212 23.429 53.701 1.00 0.00 H ATOM 1434 HH12 ARG B 228 8.341 25.099 49.978 1.00 0.00 H ATOM 1435 HH11 ARG B 228 7.366 25.903 51.260 1.00 0.00 H ATOM 1436 HH22 ARG B 228 9.487 23.169 50.447 1.00 0.00 H ATOM 1437 HH21 ARG B 228 9.416 22.452 52.098 1.00 0.00 H ATOM 1438 H ARG B 228 4.347 27.492 57.203 1.00 0.00 H ATOM 1439 N THR B 229 8.170 26.439 58.470 1.00 36.28 N ATOM 1440 CA THR B 229 9.239 27.172 59.142 1.00 32.78 C ATOM 1441 C THR B 229 10.601 26.805 58.567 1.00 29.33 C ATOM 1442 O THR B 229 10.839 25.663 58.171 1.00 29.16 O ATOM 1443 CB THR B 229 9.252 26.886 60.648 1.00 34.40 C ATOM 1444 OG1 THR B 229 9.398 25.476 60.856 1.00 36.30 O ATOM 1445 CG2 THR B 229 7.977 27.360 61.300 1.00 36.49 C ATOM 1446 HG1 THR B 229 10.248 25.170 60.451 1.00 0.00 H ATOM 1447 H THR B 229 8.179 25.400 58.505 1.00 0.00 H ATOM 1448 N GLY B 230 11.500 27.780 58.539 1.00 26.11 N ATOM 1449 CA GLY B 230 12.852 27.537 58.093 1.00 24.08 C ATOM 1450 C GLY B 230 13.792 28.645 58.518 1.00 26.13 C ATOM 1451 O GLY B 230 13.536 29.372 59.480 1.00 26.03 O ATOM 1452 H GLY B 230 11.226 28.736 58.844 1.00 0.00 H ATOM 1453 N MET B 231 14.878 28.792 57.762 1.00 27.16 N ATOM 1454 CA MET B 231 15.925 29.753 58.084 1.00 29.13 C ATOM 1455 C MET B 231 16.473 30.366 56.801 1.00 26.71 C ATOM 1456 O MET B 231 16.556 29.696 55.764 1.00 26.13 O ATOM 1457 CB MET B 231 17.054 29.076 58.877 1.00 31.21 C ATOM 1458 CG MET B 231 18.229 29.963 59.246 1.00 33.22 C ATOM 1459 SD MET B 231 19.463 29.063 60.225 1.00 38.49 S ATOM 1460 CE MET B 231 18.568 28.849 61.763 1.00 39.87 C ATOM 1461 H MET B 231 14.983 28.201 56.913 1.00 0.00 H ATOM 1462 N VAL B 232 16.824 31.646 56.871 1.00 27.27 N ATOM 1463 CA VAL B 232 17.532 32.314 55.778 1.00 25.99 C ATOM 1464 C VAL B 232 19.003 31.931 55.878 1.00 25.33 C ATOM 1465 O VAL B 232 19.650 32.200 56.892 1.00 27.09 O ATOM 1466 CB VAL B 232 17.354 33.837 55.853 1.00 26.20 C ATOM 1467 CG1 VAL B 232 17.968 34.508 54.623 1.00 26.68 C ATOM 1468 CG2 VAL B 232 15.881 34.196 55.977 1.00 26.79 C ATOM 1469 H VAL B 232 16.589 32.188 57.727 1.00 0.00 H ATOM 1470 N ILE B 233 19.541 31.293 54.838 1.00 24.82 N ATOM 1471 CA ILE B 233 20.913 30.794 54.910 1.00 23.60 C ATOM 1472 C ILE B 233 21.890 31.579 54.047 1.00 24.40 C ATOM 1473 O ILE B 233 23.108 31.411 54.215 1.00 23.32 O ATOM 1474 CB ILE B 233 20.990 29.292 54.570 1.00 24.92 C ATOM 1475 CG1 ILE B 233 20.606 29.017 53.104 1.00 24.19 C ATOM 1476 CG2 ILE B 233 20.097 28.490 55.532 1.00 26.40 C ATOM 1477 CD1 ILE B 233 20.941 27.617 52.665 1.00 24.52 C ATOM 1478 H ILE B 233 18.982 31.150 53.972 1.00 0.00 H ATOM 1479 N HIS B 234 21.420 32.434 53.147 1.00 27.90 N ATOM 1480 CA HIS B 234 22.361 33.156 52.307 1.00 30.18 C ATOM 1481 C HIS B 234 21.662 34.338 51.663 1.00 27.10 C ATOM 1482 O HIS B 234 20.460 34.297 51.393 1.00 27.28 O ATOM 1483 CB HIS B 234 22.959 32.242 51.228 1.00 36.65 C ATOM 1484 CG HIS B 234 23.926 32.934 50.319 1.00 43.99 C ATOM 1485 ND1 HIS B 234 25.119 33.463 50.765 1.00 46.95 N ATOM 1486 CD2 HIS B 234 23.876 33.190 48.989 1.00 46.48 C ATOM 1487 CE1 HIS B 234 25.763 34.010 49.748 1.00 48.33 C ATOM 1488 NE2 HIS B 234 25.029 33.860 48.660 1.00 47.08 N ATOM 1489 H HIS B 234 20.396 32.585 53.045 1.00 0.00 H ATOM 1490 N GLN B 235 22.436 35.388 51.424 1.00 28.31 N ATOM 1491 CA GLN B 235 22.005 36.532 50.635 1.00 30.22 C ATOM 1492 C GLN B 235 22.811 36.561 49.343 1.00 30.71 C ATOM 1493 O GLN B 235 24.028 36.351 49.365 1.00 31.73 O ATOM 1494 CB GLN B 235 22.206 37.835 51.401 1.00 32.99 C ATOM 1495 CG GLN B 235 21.706 39.089 50.686 1.00 34.33 C ATOM 1496 CD GLN B 235 22.146 40.350 51.392 1.00 37.64 C ATOM 1497 OE1 GLN B 235 23.300 40.470 51.797 1.00 40.53 O ATOM 1498 NE2 GLN B 235 21.228 41.295 51.552 1.00 37.76 N ATOM 1499 HE22 GLN B 235 20.263 41.149 51.192 1.00 0.00 H ATOM 1500 HE21 GLN B 235 21.473 42.182 52.037 1.00 0.00 H ATOM 1501 H GLN B 235 23.398 35.394 51.820 1.00 0.00 H ATOM 1502 N VAL B 236 22.138 36.817 48.226 1.00 29.62 N ATOM 1503 CA VAL B 236 22.797 36.822 46.921 1.00 30.61 C ATOM 1504 C VAL B 236 23.559 38.139 46.779 1.00 30.95 C ATOM 1505 O VAL B 236 22.963 39.219 46.746 1.00 31.56 O ATOM 1506 CB VAL B 236 21.795 36.625 45.776 1.00 29.88 C ATOM 1507 CG1 VAL B 236 22.483 36.764 44.410 1.00 30.92 C ATOM 1508 CG2 VAL B 236 21.144 35.253 45.892 1.00 28.06 C ATOM 1509 H VAL B 236 21.119 37.018 48.281 1.00 0.00 H ATOM 1510 N GLU B 237 24.886 38.043 46.698 1.00 32.13 N ATOM 1511 CA GLU B 237 25.728 39.233 46.619 1.00 35.14 C ATOM 1512 C GLU B 237 25.392 40.075 45.390 1.00 36.66 C ATOM 1513 O GLU B 237 25.396 41.311 45.452 1.00 36.10 O ATOM 1514 CB GLU B 237 27.195 38.801 46.604 1.00 40.37 C ATOM 1515 CG GLU B 237 28.208 39.933 46.573 1.00 44.79 C ATOM 1516 H GLU B 237 25.330 37.103 46.691 1.00 0.00 H ATOM 1517 N ALA B 238 25.106 39.423 44.259 1.00 36.39 N ATOM 1518 CA ALA B 238 24.837 40.145 43.020 1.00 38.73 C ATOM 1519 C ALA B 238 23.467 40.809 43.014 1.00 39.98 C ATOM 1520 O ALA B 238 23.237 41.711 42.204 1.00 38.78 O ATOM 1521 CB ALA B 238 24.955 39.194 41.827 1.00 38.36 C ATOM 1522 H ALA B 238 25.075 38.383 44.262 1.00 0.00 H ATOM 1523 N LYS B 239 22.566 40.395 43.904 1.00 40.85 N ATOM 1524 CA LYS B 239 21.201 40.924 43.945 1.00 42.36 C ATOM 1525 C LYS B 239 20.730 40.878 45.394 1.00 40.36 C ATOM 1526 O LYS B 239 20.079 39.916 45.820 1.00 38.71 O ATOM 1527 CB LYS B 239 20.262 40.124 43.042 1.00 44.50 C ATOM 1528 CG LYS B 239 19.578 40.937 41.949 1.00 48.10 C ATOM 1529 H LYS B 239 22.842 39.669 44.595 1.00 0.00 H ATOM 1530 N PRO B 240 21.033 41.914 46.184 1.00 41.71 N ATOM 1531 CA PRO B 240 20.890 41.802 47.650 1.00 41.09 C ATOM 1532 C PRO B 240 19.474 41.565 48.156 1.00 38.76 C ATOM 1533 O PRO B 240 19.324 41.213 49.331 1.00 38.03 O ATOM 1534 CB PRO B 240 21.428 43.148 48.159 1.00 42.79 C ATOM 1535 CG PRO B 240 22.310 43.641 47.076 1.00 44.74 C ATOM 1536 CD PRO B 240 21.684 43.175 45.794 1.00 43.63 C ATOM 1537 N SER B 241 18.438 41.760 47.344 1.00 39.04 N ATOM 1538 CA SER B 241 17.087 41.454 47.799 1.00 35.91 C ATOM 1539 C SER B 241 16.745 39.977 47.647 1.00 30.00 C ATOM 1540 O SER B 241 15.669 39.551 48.087 1.00 26.48 O ATOM 1541 CB SER B 241 16.066 42.310 47.042 1.00 38.73 C ATOM 1542 OG SER B 241 15.965 41.930 45.679 1.00 39.62 O ATOM 1543 HG SER B 241 15.680 40.984 45.622 1.00 0.00 H ATOM 1544 H SER B 241 18.592 42.131 46.385 1.00 0.00 H ATOM 1545 N VAL B 242 17.643 39.186 47.065 1.00 27.87 N ATOM 1546 CA VAL B 242 17.410 37.770 46.812 1.00 26.54 C ATOM 1547 C VAL B 242 18.120 36.961 47.893 1.00 26.67 C ATOM 1548 O VAL B 242 19.299 37.199 48.183 1.00 27.69 O ATOM 1549 CB VAL B 242 17.900 37.373 45.410 1.00 26.11 C ATOM 1550 CG1 VAL B 242 17.628 35.910 45.148 1.00 25.82 C ATOM 1551 CG2 VAL B 242 17.231 38.254 44.336 1.00 28.07 C ATOM 1552 H VAL B 242 18.554 39.598 46.777 1.00 0.00 H ATOM 1553 N TYR B 243 17.410 35.995 48.471 1.00 25.06 N ATOM 1554 CA TYR B 243 17.920 35.185 49.570 1.00 26.51 C ATOM 1555 C TYR B 243 17.659 33.709 49.305 1.00 25.59 C ATOM 1556 O TYR B 243 16.761 33.343 48.539 1.00 24.04 O ATOM 1557 CB TYR B 243 17.270 35.566 50.901 1.00 26.39 C ATOM 1558 CG TYR B 243 17.613 36.944 51.396 1.00 28.34 C ATOM 1559 CD1 TYR B 243 16.950 38.056 50.909 1.00 30.17 C ATOM 1560 CD2 TYR B 243 18.586 37.132 52.374 1.00 30.01 C ATOM 1561 CE1 TYR B 243 17.252 39.320 51.363 1.00 33.48 C ATOM 1562 CE2 TYR B 243 18.896 38.394 52.831 1.00 32.52 C ATOM 1563 CZ TYR B 243 18.223 39.483 52.324 1.00 33.29 C ATOM 1564 OH TYR B 243 18.522 40.745 52.774 1.00 37.01 O ATOM 1565 HH TYR B 243 17.949 41.405 52.308 1.00 0.00 H ATOM 1566 H TYR B 243 16.448 35.810 48.123 1.00 0.00 H ATOM 1567 N PHE B 244 18.454 32.864 49.964 1.00 25.37 N ATOM 1568 CA PHE B 244 18.231 31.426 49.999 1.00 25.51 C ATOM 1569 C PHE B 244 17.596 31.040 51.327 1.00 26.09 C ATOM 1570 O PHE B 244 18.029 31.506 52.385 1.00 27.20 O ATOM 1571 CB PHE B 244 19.537 30.647 49.837 1.00 25.08 C ATOM 1572 CG PHE B 244 20.247 30.876 48.523 1.00 24.88 C ATOM 1573 CD1 PHE B 244 19.700 31.677 47.532 1.00 25.53 C ATOM 1574 CD2 PHE B 244 21.473 30.279 48.293 1.00 26.50 C ATOM 1575 CE1 PHE B 244 20.363 31.877 46.337 1.00 27.65 C ATOM 1576 CE2 PHE B 244 22.143 30.472 47.095 1.00 29.32 C ATOM 1577 CZ PHE B 244 21.584 31.274 46.115 1.00 28.38 C ATOM 1578 H PHE B 244 19.272 33.251 50.477 1.00 0.00 H ATOM 1579 N ILE B 245 16.597 30.160 51.277 1.00 24.70 N ATOM 1580 CA ILE B 245 15.891 29.715 52.475 1.00 28.22 C ATOM 1581 C ILE B 245 15.858 28.193 52.518 1.00 27.21 C ATOM 1582 O ILE B 245 15.495 27.543 51.532 1.00 25.14 O ATOM 1583 CB ILE B 245 14.465 30.290 52.532 1.00 31.06 C ATOM 1584 CG1 ILE B 245 14.542 31.792 52.813 1.00 32.25 C ATOM 1585 CG2 ILE B 245 13.621 29.555 53.584 1.00 32.85 C ATOM 1586 CD1 ILE B 245 13.211 32.517 52.759 1.00 33.78 C ATOM 1587 H ILE B 245 16.310 29.777 50.353 1.00 0.00 H ATOM 1588 N LYS B 246 16.221 27.628 53.668 1.00 23.47 N ATOM 1589 CA LYS B 246 16.069 26.201 53.926 1.00 23.44 C ATOM 1590 C LYS B 246 14.889 26.011 54.867 1.00 24.80 C ATOM 1591 O LYS B 246 14.930 26.457 56.026 1.00 24.33 O ATOM 1592 CB LYS B 246 17.346 25.606 54.514 1.00 27.98 C ATOM 1593 CG LYS B 246 17.223 24.153 55.042 1.00 29.55 C ATOM 1594 CD LYS B 246 17.204 23.127 53.922 1.00 26.21 C ATOM 1595 CE LYS B 246 17.305 21.697 54.438 1.00 27.06 C ATOM 1596 NZ LYS B 246 16.265 21.345 55.434 1.00 26.97 N ATOM 1597 HZ1 LYS B 246 16.346 21.977 56.256 1.00 0.00 H ATOM 1598 HZ2 LYS B 246 15.324 21.453 55.004 1.00 0.00 H ATOM 1599 HZ3 LYS B 246 16.398 20.359 55.738 1.00 0.00 H ATOM 1600 H LYS B 246 16.629 28.229 54.412 1.00 0.00 H ATOM 1601 N PHE B 247 13.839 25.362 54.368 1.00 23.53 N ATOM 1602 CA PHE B 247 12.689 25.016 55.188 1.00 27.50 C ATOM 1603 C PHE B 247 12.951 23.687 55.879 1.00 30.57 C ATOM 1604 O PHE B 247 13.600 22.798 55.314 1.00 29.80 O ATOM 1605 CB PHE B 247 11.412 24.935 54.348 1.00 28.44 C ATOM 1606 CG PHE B 247 10.912 26.277 53.863 1.00 28.39 C ATOM 1607 CD1 PHE B 247 10.407 27.204 54.743 1.00 26.72 C ATOM 1608 CD2 PHE B 247 10.937 26.596 52.513 1.00 28.42 C ATOM 1609 CE1 PHE B 247 9.945 28.428 54.306 1.00 26.48 C ATOM 1610 CE2 PHE B 247 10.473 27.827 52.064 1.00 28.14 C ATOM 1611 CZ PHE B 247 9.976 28.745 52.965 1.00 28.48 C ATOM 1612 H PHE B 247 13.841 25.095 53.363 1.00 0.00 H ATOM 1613 N ASP B 248 12.451 23.571 57.114 1.00 30.83 N ATOM 1614 CA ASP B 248 12.711 22.394 57.938 1.00 34.18 C ATOM 1615 C ASP B 248 12.184 21.115 57.301 1.00 33.59 C ATOM 1616 O ASP B 248 12.722 20.034 57.556 1.00 35.45 O ATOM 1617 CB ASP B 248 12.073 22.565 59.324 1.00 37.88 C ATOM 1618 CG ASP B 248 12.553 23.810 60.060 1.00 41.68 C ATOM 1619 OD1 ASP B 248 13.697 24.253 59.838 1.00 42.14 O ATOM 1620 OD2 ASP B 248 11.779 24.343 60.887 1.00 44.38 O ATOM 1621 H ASP B 248 11.862 24.338 57.497 1.00 0.00 H ATOM 1622 N ASP B 249 11.129 21.206 56.492 1.00 32.27 N ATOM 1623 CA ASP B 249 10.408 20.033 56.012 1.00 35.15 C ATOM 1624 C ASP B 249 10.835 19.575 54.619 1.00 33.34 C ATOM 1625 O ASP B 249 10.136 18.756 54.014 1.00 34.61 O ATOM 1626 CB ASP B 249 8.907 20.319 55.998 1.00 39.55 C ATOM 1627 CG ASP B 249 8.532 21.391 54.988 1.00 43.00 C ATOM 1628 OD1 ASP B 249 9.445 22.063 54.466 1.00 42.84 O ATOM 1629 OD2 ASP B 249 7.326 21.560 54.713 1.00 45.95 O ATOM 1630 H ASP B 249 10.808 22.149 56.192 1.00 0.00 H ATOM 1631 N ASP B 250 11.944 20.082 54.086 1.00 30.35 N ATOM 1632 CA ASP B 250 12.306 19.742 52.712 1.00 28.16 C ATOM 1633 C ASP B 250 13.790 19.977 52.486 1.00 26.59 C ATOM 1634 O ASP B 250 14.412 20.815 53.145 1.00 25.01 O ATOM 1635 CB ASP B 250 11.495 20.556 51.702 1.00 27.86 C ATOM 1636 CG ASP B 250 11.735 20.095 50.269 1.00 32.35 C ATOM 1637 OD1 ASP B 250 11.583 18.883 50.019 1.00 34.17 O ATOM 1638 OD2 ASP B 250 12.089 20.926 49.408 1.00 32.06 O ATOM 1639 H ASP B 250 12.550 20.717 54.644 1.00 0.00 H ATOM 1640 N PHE B 251 14.344 19.256 51.506 1.00 27.12 N ATOM 1641 CA PHE B 251 15.778 19.303 51.244 1.00 26.62 C ATOM 1642 C PHE B 251 16.162 20.186 50.057 1.00 24.90 C ATOM 1643 O PHE B 251 17.352 20.294 49.757 1.00 24.74 O ATOM 1644 CB PHE B 251 16.342 17.882 51.046 1.00 28.25 C ATOM 1645 CG PHE B 251 15.446 16.956 50.271 1.00 29.77 C ATOM 1646 CD1 PHE B 251 15.044 17.263 48.983 1.00 29.22 C ATOM 1647 CD2 PHE B 251 15.024 15.763 50.828 1.00 31.24 C ATOM 1648 CE1 PHE B 251 14.224 16.394 48.271 1.00 28.55 C ATOM 1649 CE2 PHE B 251 14.207 14.899 50.126 1.00 32.37 C ATOM 1650 CZ PHE B 251 13.807 15.218 48.840 1.00 30.12 C ATOM 1651 H PHE B 251 13.739 18.648 50.917 1.00 0.00 H ATOM 1652 N HIS B 252 15.212 20.846 49.397 1.00 24.14 N ATOM 1653 CA HIS B 252 15.575 21.845 48.402 1.00 25.97 C ATOM 1654 C HIS B 252 15.991 23.146 49.082 1.00 26.48 C ATOM 1655 O HIS B 252 15.701 23.387 50.255 1.00 26.81 O ATOM 1656 CB HIS B 252 14.411 22.130 47.442 1.00 26.02 C ATOM 1657 CG HIS B 252 14.053 20.977 46.561 1.00 27.42 C ATOM 1658 ND1 HIS B 252 13.115 20.034 46.918 1.00 30.22 N ATOM 1659 CD2 HIS B 252 14.495 20.620 45.330 1.00 29.73 C ATOM 1660 CE1 HIS B 252 13.001 19.140 45.951 1.00 31.50 C ATOM 1661 NE2 HIS B 252 13.828 19.474 44.976 1.00 29.73 N ATOM 1662 H HIS B 252 14.210 20.648 49.593 1.00 0.00 H ATOM 1663 N ILE B 253 16.676 23.993 48.321 1.00 24.37 N ATOM 1664 CA ILE B 253 17.046 25.335 48.753 1.00 23.38 C ATOM 1665 C ILE B 253 16.183 26.310 47.969 1.00 23.63 C ATOM 1666 O ILE B 253 16.286 26.385 46.738 1.00 20.83 O ATOM 1667 CB ILE B 253 18.538 25.620 48.525 1.00 21.22 C ATOM 1668 CG1 ILE B 253 19.395 24.565 49.211 1.00 23.37 C ATOM 1669 CG2 ILE B 253 18.897 27.019 49.006 1.00 20.75 C ATOM 1670 CD1 ILE B 253 19.130 24.411 50.714 1.00 25.22 C ATOM 1671 H ILE B 253 16.962 23.683 47.370 1.00 0.00 H ATOM 1672 N TYR B 254 15.344 27.061 48.678 1.00 22.55 N ATOM 1673 CA TYR B 254 14.388 27.948 48.041 1.00 23.21 C ATOM 1674 C TYR B 254 14.986 29.337 47.857 1.00 23.26 C ATOM 1675 O TYR B 254 15.666 29.865 48.741 1.00 23.24 O ATOM 1676 CB TYR B 254 13.102 28.004 48.860 1.00 23.98 C ATOM 1677 CG TYR B 254 12.342 26.690 48.823 1.00 27.10 C ATOM 1678 CD1 TYR B 254 12.703 25.628 49.643 1.00 27.12 C ATOM 1679 CD2 TYR B 254 11.278 26.510 47.949 1.00 28.70 C ATOM 1680 CE1 TYR B 254 12.017 24.432 49.602 1.00 29.51 C ATOM 1681 CE2 TYR B 254 10.587 25.323 47.902 1.00 30.29 C ATOM 1682 CZ TYR B 254 10.957 24.287 48.721 1.00 31.26 C ATOM 1683 OH TYR B 254 10.255 23.108 48.659 1.00 34.12 O ATOM 1684 HH TYR B 254 10.638 22.463 49.305 1.00 0.00 H ATOM 1685 H TYR B 254 15.374 27.011 49.716 1.00 0.00 H ATOM 1686 N VAL B 255 14.758 29.911 46.682 1.00 26.02 N ATOM 1687 CA VAL B 255 15.275 31.229 46.338 1.00 26.95 C ATOM 1688 C VAL B 255 14.094 32.175 46.209 1.00 26.17 C ATOM 1689 O VAL B 255 13.078 31.828 45.593 1.00 26.27 O ATOM 1690 CB VAL B 255 16.101 31.190 45.038 1.00 27.59 C ATOM 1691 CG1 VAL B 255 16.798 32.529 44.820 1.00 28.13 C ATOM 1692 CG2 VAL B 255 17.108 30.071 45.089 1.00 27.54 C ATOM 1693 H VAL B 255 14.188 29.399 45.979 1.00 0.00 H ATOM 1694 N TYR B 256 14.223 33.361 46.802 1.00 26.35 N ATOM 1695 CA TYR B 256 13.162 34.355 46.823 1.00 26.35 C ATOM 1696 C TYR B 256 13.744 35.741 46.627 1.00 27.09 C ATOM 1697 O TYR B 256 14.773 36.079 47.216 1.00 27.66 O ATOM 1698 CB TYR B 256 12.410 34.376 48.151 1.00 27.05 C ATOM 1699 CG TYR B 256 11.626 33.142 48.484 1.00 26.38 C ATOM 1700 CD1 TYR B 256 10.308 33.008 48.083 1.00 27.57 C ATOM 1701 CD2 TYR B 256 12.190 32.130 49.244 1.00 23.70 C ATOM 1702 CE1 TYR B 256 9.578 31.888 48.418 1.00 28.79 C ATOM 1703 CE2 TYR B 256 11.467 31.008 49.585 1.00 23.84 C ATOM 1704 CZ TYR B 256 10.163 30.894 49.172 1.00 27.04 C ATOM 1705 OH TYR B 256 9.439 29.780 49.511 1.00 29.81 O ATOM 1706 HH TYR B 256 8.525 29.855 49.138 1.00 0.00 H ATOM 1707 H TYR B 256 15.123 33.586 47.271 1.00 0.00 H ATOM 1708 N ASP B 257 13.055 36.548 45.832 1.00 28.05 N ATOM 1709 CA ASP B 257 13.292 37.984 45.757 1.00 28.36 C ATOM 1710 C ASP B 257 12.231 38.633 46.634 1.00 27.68 C ATOM 1711 O ASP B 257 11.050 38.645 46.278 1.00 29.48 O ATOM 1712 CB ASP B 257 13.212 38.476 44.312 1.00 33.07 C ATOM 1713 CG ASP B 257 13.552 39.950 44.170 1.00 36.50 C ATOM 1714 OD1 ASP B 257 13.689 40.646 45.200 1.00 36.90 O ATOM 1715 OD2 ASP B 257 13.683 40.413 43.014 1.00 38.78 O ATOM 1716 H ASP B 257 12.310 36.137 45.234 1.00 0.00 H ATOM 1717 N LEU B 258 12.650 39.162 47.786 1.00 27.76 N ATOM 1718 CA LEU B 258 11.704 39.577 48.820 1.00 28.57 C ATOM 1719 C LEU B 258 10.774 40.703 48.396 1.00 29.61 C ATOM 1720 O LEU B 258 9.797 40.966 49.106 1.00 30.75 O ATOM 1721 CB LEU B 258 12.465 40.002 50.078 1.00 28.62 C ATOM 1722 CG LEU B 258 13.329 38.913 50.707 1.00 30.07 C ATOM 1723 CD1 LEU B 258 13.804 39.362 52.090 1.00 34.13 C ATOM 1724 CD2 LEU B 258 12.585 37.584 50.802 1.00 29.76 C ATOM 1725 H LEU B 258 13.670 39.281 47.951 1.00 0.00 H ATOM 1726 N VAL B 259 11.034 41.381 47.276 1.00 31.74 N ATOM 1727 CA VAL B 259 10.120 42.427 46.828 1.00 34.57 C ATOM 1728 C VAL B 259 9.038 41.894 45.900 1.00 36.26 C ATOM 1729 O VAL B 259 8.111 42.642 45.554 1.00 39.23 O ATOM 1730 CB VAL B 259 10.867 43.575 46.114 1.00 37.82 C ATOM 1731 CG1 VAL B 259 12.014 44.087 46.974 1.00 39.31 C ATOM 1732 CG2 VAL B 259 11.373 43.138 44.750 1.00 37.60 C ATOM 1733 H VAL B 259 11.888 41.164 46.723 1.00 0.00 H ATOM 1734 N LYS B 260 9.117 40.634 45.484 1.00 33.58 N ATOM 1735 CA LYS B 260 8.187 40.101 44.501 1.00 33.49 C ATOM 1736 C LYS B 260 7.050 39.341 45.176 1.00 32.24 C ATOM 1737 O LYS B 260 7.085 39.035 46.370 1.00 31.83 O ATOM 1738 CB LYS B 260 8.921 39.194 43.510 1.00 34.99 C ATOM 1739 CG LYS B 260 10.087 39.869 42.812 1.00 38.85 C ATOM 1740 CD LYS B 260 9.618 40.949 41.855 1.00 43.53 C ATOM 1741 CE LYS B 260 10.708 41.270 40.848 1.00 45.69 C ATOM 1742 NZ LYS B 260 11.280 40.008 40.311 1.00 45.89 N ATOM 1743 HZ1 LYS B 260 11.684 39.452 41.092 1.00 0.00 H ATOM 1744 HZ2 LYS B 260 10.529 39.459 39.845 1.00 0.00 H ATOM 1745 HZ3 LYS B 260 12.026 40.233 39.622 1.00 0.00 H ATOM 1746 H LYS B 260 9.860 40.016 45.870 1.00 0.00 H ATOM 1747 N THR B 261 6.019 39.051 44.382 1.00 32.53 N ATOM 1748 CA THR B 261 4.839 38.369 44.901 1.00 32.48 C ATOM 1749 C THR B 261 5.186 37.015 45.506 1.00 31.27 C ATOM 1750 O THR B 261 4.592 36.616 46.517 1.00 30.09 O ATOM 1751 CB THR B 261 3.802 38.220 43.781 1.00 33.20 C ATOM 1752 OG1 THR B 261 3.236 39.505 43.480 1.00 33.87 O ATOM 1753 CG2 THR B 261 2.694 37.261 44.186 1.00 33.68 C ATOM 1754 HG1 THR B 261 2.798 39.869 44.290 1.00 0.00 H ATOM 1755 H THR B 261 6.057 39.315 43.377 1.00 0.00 H ATOM 1756 N SER B 262 6.155 36.302 44.926 1.00 31.64 N ATOM 1757 CA SER B 262 6.505 34.984 45.444 1.00 33.11 C ATOM 1758 C SER B 262 6.913 35.027 46.913 1.00 30.32 C ATOM 1759 O SER B 262 6.801 34.009 47.605 1.00 27.84 O ATOM 1760 CB SER B 262 7.630 34.368 44.607 1.00 36.38 C ATOM 1761 OG SER B 262 8.872 35.001 44.865 1.00 37.47 O ATOM 1762 HG SER B 262 9.576 34.581 44.310 1.00 0.00 H ATOM 1763 H SER B 262 6.661 36.687 44.103 1.00 0.00 H ATOM 1764 N ALA B 263 7.360 36.179 47.410 1.00 28.79 N ATOM 1765 CA ALA B 263 7.822 36.307 48.788 1.00 28.77 C ATOM 1766 C ALA B 263 6.804 36.955 49.715 1.00 29.36 C ATOM 1767 O ALA B 263 7.096 37.124 50.903 1.00 30.55 O ATOM 1768 CB ALA B 263 9.122 37.114 48.832 1.00 26.90 C ATOM 1769 H ALA B 263 7.380 37.017 46.794 1.00 0.00 H ATOM 1770 N GLU B 264 5.622 37.320 49.215 1.00 29.39 N ATOM 1771 CA GLU B 264 4.739 38.186 49.987 1.00 31.33 C ATOM 1772 C GLU B 264 4.164 37.512 51.228 1.00 33.12 C ATOM 1773 O GLU B 264 3.598 38.208 52.079 1.00 34.38 O ATOM 1774 CB GLU B 264 3.600 38.706 49.108 1.00 33.51 C ATOM 1775 CG GLU B 264 2.557 37.670 48.748 1.00 36.66 C ATOM 1776 CD GLU B 264 1.508 38.205 47.790 1.00 41.94 C ATOM 1777 OE1 GLU B 264 1.673 39.343 47.291 1.00 42.13 O ATOM 1778 OE2 GLU B 264 0.518 37.485 47.533 1.00 44.37 O ATOM 1779 H GLU B 264 5.330 36.987 48.274 1.00 0.00 H ATOM 1780 N ASN B 265 4.291 36.193 51.365 1.00 33.02 N ATOM 1781 CA ASN B 265 3.796 35.498 52.548 1.00 34.06 C ATOM 1782 C ASN B 265 4.924 35.029 53.456 1.00 31.37 C ATOM 1783 O ASN B 265 4.700 34.200 54.342 1.00 33.52 O ATOM 1784 CB ASN B 265 2.905 34.324 52.147 1.00 36.73 C ATOM 1785 CG ASN B 265 1.597 34.775 51.515 1.00 40.92 C ATOM 1786 OD1 ASN B 265 1.261 34.371 50.405 1.00 41.54 O ATOM 1787 ND2 ASN B 265 0.855 35.620 52.224 1.00 42.88 N ATOM 1788 HD22 ASN B 265 1.178 35.936 53.160 1.00 0.00 H ATOM 1789 HD21 ASN B 265 -0.049 35.965 51.842 1.00 0.00 H ATOM 1790 H ASN B 265 4.754 35.646 50.611 1.00 0.00 H ATOM 1791 N LEU B 266 6.130 35.548 53.266 1.00 27.16 N ATOM 1792 CA LEU B 266 7.245 35.208 54.132 1.00 26.63 C ATOM 1793 C LEU B 266 7.377 36.250 55.238 1.00 27.52 C ATOM 1794 O LEU B 266 7.324 37.455 54.970 1.00 27.78 O ATOM 1795 CB LEU B 266 8.534 35.117 53.322 1.00 25.82 C ATOM 1796 CG LEU B 266 8.580 34.048 52.227 1.00 26.30 C ATOM 1797 CD1 LEU B 266 9.963 34.051 51.631 1.00 26.90 C ATOM 1798 CD2 LEU B 266 8.235 32.667 52.782 1.00 27.29 C ATOM 1799 H LEU B 266 6.280 36.212 52.480 1.00 0.00 H ATOM 1800 N TYR B 267 7.535 35.781 56.480 1.00 27.36 N ATOM 1801 CA TYR B 267 7.722 36.643 57.640 1.00 30.27 C ATOM 1802 C TYR B 267 8.944 36.179 58.421 1.00 28.39 C ATOM 1803 O TYR B 267 9.227 34.984 58.488 1.00 29.18 O ATOM 1804 CB TYR B 267 6.485 36.634 58.550 1.00 32.63 C ATOM 1805 CG TYR B 267 5.231 37.175 57.897 1.00 35.56 C ATOM 1806 CD1 TYR B 267 4.790 38.464 58.162 1.00 38.36 C ATOM 1807 CD2 TYR B 267 4.486 36.396 57.018 1.00 36.29 C ATOM 1808 CE1 TYR B 267 3.644 38.962 57.575 1.00 40.74 C ATOM 1809 CE2 TYR B 267 3.338 36.888 56.426 1.00 36.68 C ATOM 1810 CZ TYR B 267 2.925 38.169 56.703 1.00 39.88 C ATOM 1811 OH TYR B 267 1.782 38.662 56.121 1.00 42.45 O ATOM 1812 HH TYR B 267 1.632 39.592 56.427 1.00 0.00 H ATOM 1813 H TYR B 267 7.524 34.751 56.625 1.00 0.00 H ATOM 1814 N PHE B 268 9.660 37.128 59.025 1.00 28.77 N ATOM 1815 CA PHE B 268 10.983 36.870 59.580 1.00 28.36 C ATOM 1816 C PHE B 268 11.039 37.204 61.065 1.00 29.44 C ATOM 1817 O PHE B 268 10.258 38.011 61.572 1.00 30.67 O ATOM 1818 CB PHE B 268 12.051 37.681 58.845 1.00 27.84 C ATOM 1819 CG PHE B 268 12.093 37.407 57.368 1.00 28.12 C ATOM 1820 CD1 PHE B 268 12.873 36.382 56.873 1.00 27.26 C ATOM 1821 CD2 PHE B 268 11.327 38.158 56.488 1.00 27.02 C ATOM 1822 CE1 PHE B 268 12.908 36.112 55.517 1.00 25.86 C ATOM 1823 CE2 PHE B 268 11.354 37.896 55.127 1.00 26.83 C ATOM 1824 CZ PHE B 268 12.142 36.876 54.644 1.00 27.85 C ATOM 1825 H PHE B 268 9.261 38.085 59.103 1.00 0.00 H ATOM 1826 N GLN B 269 12.001 36.591 61.751 1.00 29.36 N ATOM 1827 CA GLN B 269 12.191 36.848 63.177 1.00 32.14 C ATOM 1828 C GLN B 269 13.653 36.688 63.586 1.00 33.85 C ATOM 1829 O GLN B 269 14.335 35.753 63.163 1.00 33.68 O ATOM 1830 CB GLN B 269 11.309 35.916 64.002 1.00 31.98 C ATOM 1831 CG GLN B 269 11.592 35.981 65.478 1.00 34.60 C ATOM 1832 CD GLN B 269 10.886 34.882 66.248 1.00 37.39 C ATOM 1833 OE1 GLN B 269 9.664 34.897 66.396 1.00 39.32 O ATOM 1834 NE2 GLN B 269 11.656 33.914 66.728 1.00 35.46 N ATOM 1835 OXT GLN B 269 14.187 37.490 64.353 1.00 36.52 O ATOM 1836 HE22 GLN B 269 12.685 33.945 66.577 1.00 0.00 H ATOM 1837 HE21 GLN B 269 11.231 33.124 67.255 1.00 0.00 H ATOM 1838 H GLN B 269 12.627 35.918 61.264 1.00 0.00 H TER 1839 GLN B 269 HETATM 1840 O HOH 1 36.588 13.159 48.059 1.00 32.10 O HETATM 1841 O HOH 2 25.604 15.921 37.453 1.00 39.00 O HETATM 1842 O HOH 3 8.244 31.573 40.503 1.00 29.61 O HETATM 1843 O HOH 4 24.419 30.183 23.871 1.00 29.19 O HETATM 1844 O HOH 5 15.534 5.755 49.246 1.00 41.35 O HETATM 1845 O HOH 6 22.053 17.258 42.972 1.00 23.03 O HETATM 1846 O HOH 7 16.888 22.100 57.858 1.00 32.44 O HETATM 1847 O HOH 8 25.753 21.602 33.357 1.00 46.80 O HETATM 1848 O HOH 9 17.409 23.176 45.523 1.00 23.64 O HETATM 1849 O HOH 10 28.445 15.836 42.168 1.00 24.48 O HETATM 1850 O HOH 11 13.774 38.725 40.986 1.00 36.96 O HETATM 1851 O HOH 12 1.177 40.557 44.768 1.00 24.25 O HETATM 1852 O HOH 13 31.144 27.439 54.840 1.00 39.31 O HETATM 1853 O HOH 14 8.522 38.519 52.654 1.00 31.09 O HETATM 1854 O HOH 15 20.116 6.857 43.728 1.00 34.63 O HETATM 1855 O HOH 16 26.012 36.597 43.719 1.00 32.96 O HETATM 1856 O HOH 17 13.863 23.430 52.226 1.00 20.70 O HETATM 1857 O HOH 18 27.938 4.173 51.453 1.00 31.82 O HETATM 1858 O HOH 19 8.623 40.892 51.549 1.00 36.97 O HETATM 1859 O HOH 20 18.234 16.997 56.712 1.00 22.58 O HETATM 1860 O HOH 21 28.399 19.307 61.105 1.00 46.09 O HETATM 1861 O HOH 22 35.169 5.152 50.454 1.00 36.43 O HETATM 1862 O HOH 23 25.496 17.731 60.059 1.00 29.23 O HETATM 1863 O HOH 24 36.747 13.396 56.457 1.00 40.08 O HETATM 1864 O HOH 25 11.545 37.723 24.864 1.00 33.10 O HETATM 1865 O HOH 26 7.080 36.410 34.422 1.00 26.56 O HETATM 1866 O HOH 27 28.402 8.875 39.717 1.00 36.07 O HETATM 1867 O HOH 28 16.975 18.563 54.720 1.00 23.87 O HETATM 1868 O HOH 29 5.880 31.482 46.923 1.00 38.56 O HETATM 1869 O HOH 30 32.156 26.117 50.338 1.00 36.29 O HETATM 1870 O HOH 31 33.037 16.330 42.287 1.00 33.64 O HETATM 1871 O HOH 32 12.082 15.831 53.253 1.00 38.10 O HETATM 1872 O HOH 33 5.388 33.992 50.034 1.00 28.22 O HETATM 1873 O HOH 34 20.095 16.552 34.139 1.00 38.84 O HETATM 1874 O HOH 35 16.977 18.051 58.777 1.00 32.16 O HETATM 1875 O HOH 36 25.167 3.907 58.876 1.00 35.06 O HETATM 1876 O HOH 37 11.127 29.623 46.147 1.00 21.93 O HETATM 1877 O HOH 38 36.717 12.379 41.657 1.00 50.35 O HETATM 1878 O HOH 39 25.089 31.232 56.322 1.00 30.51 O HETATM 1879 O HOH 40 16.422 25.454 58.300 1.00 31.84 O HETATM 1880 O HOH 41 23.696 10.440 42.917 1.00 47.94 O HETATM 1881 O HOH 42 27.528 16.637 39.745 1.00 29.49 O HETATM 1882 O HOH 43 14.663 17.596 54.595 1.00 27.77 O HETATM 1883 O HOH 44 29.995 34.268 42.678 1.00 30.20 O HETATM 1884 O HOH 45 26.408 35.380 46.421 1.00 42.55 O HETATM 1885 O HOH 46 15.459 12.380 61.402 1.00 37.82 O HETATM 1886 O HOH 47 38.661 12.837 50.009 1.00 37.71 O HETATM 1887 O HOH 48 22.798 1.344 54.360 1.00 50.05 O HETATM 1888 O HOH 49 25.736 30.520 52.476 1.00 52.92 O HETATM 1889 O HOH 50 9.947 33.270 41.805 1.00 33.06 O HETATM 1890 O HOH 51 28.700 36.613 43.259 1.00 33.11 O HETATM 1891 O HOH 52 6.811 31.017 42.613 1.00 31.50 O HETATM 1892 N1 H A 7 22.273 21.680 30.554 1.00 -0.26 N HETATM 1893 C4 H A 7 20.985 21.358 30.978 1.00 0.14 C HETATM 1894 C5 H A 7 19.943 22.244 31.215 1.00 0.09 C HETATM 1895 C6 H A 7 18.733 21.736 31.651 1.00 0.24 C HETATM 1896 O H A 7 17.639 22.516 31.898 1.00 -0.27 O HETATM 1897 C7 H A 7 17.875 23.901 32.192 1.00 0.09 C HETATM 1898 C8 H A 7 16.629 24.467 32.814 1.00 0.02 C HETATM 1899 C9 H A 7 16.271 23.783 34.123 1.00 -0.03 C HETATM 1900 N2 H A 7 15.825 22.393 33.975 1.00 0.26 N HETATM 1901 C10 H A 7 14.745 22.251 32.958 1.00 -0.00 C HETATM 1902 C11 H A 7 13.838 21.197 33.522 1.00 -0.00 C HETATM 1903 C12 H A 7 12.682 20.650 32.980 1.00 -0.07 C HETATM 1904 C13 H A 7 11.959 19.698 33.676 1.00 -0.05 C HETATM 1905 C14 H A 7 12.396 19.286 34.927 1.00 0.08 C HETATM 1906 C32 H A 7 13.546 19.829 35.481 1.00 -0.03 C HETATM 1907 C33 H A 7 14.269 20.783 34.776 1.00 0.00 C HETATM 1908 C34 H A 7 15.539 21.482 35.162 1.00 -0.00 C HETATM 1909 H48 H A 7 16.356 20.760 35.308 1.00 0.10 H HETATM 1910 H49 H A 7 15.400 22.069 36.082 1.00 0.10 H HETATM 1911 H47 H A 7 13.880 19.510 36.462 1.00 0.05 H HETATM 1912 O1 H A 7 11.620 18.319 35.514 1.00 -0.32 O HETATM 1913 C15 H A 7 11.999 17.832 36.806 1.00 0.08 C HETATM 1914 C16 H A 7 10.946 16.828 37.214 1.00 0.01 C HETATM 1915 C17 H A 7 11.371 15.988 38.372 1.00 0.04 C HETATM 1916 C18 H A 7 12.598 15.497 38.708 1.00 0.07 C HETATM 1917 N3 H A 7 12.399 14.802 39.836 1.00 -0.16 N HETATM 1918 C19 H A 7 13.364 14.059 40.630 1.00 0.16 C HETATM 1919 C20 H A 7 13.237 14.395 42.114 1.00 0.21 C HETATM 1920 N4 H A 7 14.081 13.772 42.961 1.00 -0.27 N HETATM 1921 C21 H A 7 14.018 14.010 44.405 1.00 0.03 C HETATM 1922 C22 H A 7 15.349 14.509 44.934 1.00 -0.03 C HETATM 1923 C23 H A 7 16.478 13.542 44.607 1.00 -0.03 C HETATM 1924 C24 H A 7 17.830 14.040 45.121 1.00 -0.01 C HETATM 1925 C25 H A 7 17.863 14.379 46.605 1.00 -0.03 C HETATM 1926 N5 H A 7 17.633 13.284 47.550 1.00 0.24 N HETATM 1927 C26 H A 7 18.620 12.217 47.347 1.00 -0.03 C HETATM 1928 C27 H A 7 18.927 11.728 48.735 1.00 -0.01 C HETATM 1929 C28 H A 7 19.004 12.929 49.444 1.00 -0.01 C HETATM 1930 C29 H A 7 17.780 13.681 48.961 1.00 -0.03 C HETATM 1931 H41 H A 7 17.933 14.767 49.045 1.00 0.08 H HETATM 1932 H42 H A 7 16.892 13.390 49.541 1.00 0.08 H HETATM 1933 H20 H A 7 19.927 13.475 49.200 1.00 0.03 H HETATM 1934 H21 H A 7 18.959 12.753 50.529 1.00 0.03 H HETATM 1935 H39 H A 7 19.881 11.181 48.766 1.00 0.03 H HETATM 1936 H40 H A 7 18.123 11.085 49.121 1.00 0.03 H HETATM 1937 H18 H A 7 18.198 11.408 46.733 1.00 0.08 H HETATM 1938 H19 H A 7 19.526 12.611 46.863 1.00 0.08 H HETATM 1939 H61 H A 7 16.703 12.926 47.400 1.00 0.20 H HETATM 1940 H37 H A 7 17.090 15.140 46.787 1.00 0.08 H HETATM 1941 H38 H A 7 18.854 14.803 46.825 1.00 0.08 H HETATM 1942 H16 H A 7 18.098 14.946 44.557 1.00 0.03 H HETATM 1943 H17 H A 7 18.578 13.256 44.932 1.00 0.03 H HETATM 1944 C30 H A 7 16.500 13.292 43.104 1.00 -0.03 C HETATM 1945 C31 H A 7 15.142 12.829 42.586 1.00 0.03 C HETATM 1946 H45 H A 7 14.912 11.842 43.014 1.00 0.05 H HETATM 1947 H46 H A 7 15.183 12.753 41.489 1.00 0.05 H HETATM 1948 H43 H A 7 17.248 12.517 42.883 1.00 0.03 H HETATM 1949 H44 H A 7 16.777 14.225 42.592 1.00 0.03 H HETATM 1950 H36 H A 7 16.265 12.587 45.109 1.00 0.03 H HETATM 1951 H14 H A 7 15.280 14.621 46.026 1.00 0.03 H HETATM 1952 H15 H A 7 15.571 15.485 44.478 1.00 0.03 H HETATM 1953 H12 H A 7 13.244 14.764 44.611 1.00 0.05 H HETATM 1954 H13 H A 7 13.759 13.069 44.913 1.00 0.05 H HETATM 1955 O2 H A 7 12.409 15.205 42.500 1.00 -0.39 O HETATM 1956 H31 H A 7 14.379 14.313 40.291 1.00 0.09 H HETATM 1957 H32 H A 7 13.190 12.982 40.490 1.00 0.09 H HETATM 1958 N6 H A 7 11.109 14.850 40.208 1.00 -0.10 N HETATM 1959 N7 H A 7 10.483 15.575 39.312 1.00 -0.23 N HETATM 1960 H30 H A 7 13.537 15.639 38.175 1.00 0.09 H HETATM 1961 H28 H A 7 10.738 16.169 36.358 1.00 0.04 H HETATM 1962 H29 H A 7 10.030 17.371 37.490 1.00 0.04 H HETATM 1963 H10 H A 7 12.986 17.348 36.755 1.00 0.06 H HETATM 1964 H11 H A 7 12.034 18.660 37.529 1.00 0.06 H HETATM 1965 H9 H A 7 11.057 19.277 33.247 1.00 0.05 H HETATM 1966 H27 H A 7 12.343 20.972 32.002 1.00 0.05 H HETATM 1967 H7 H A 7 14.205 23.201 32.828 1.00 0.09 H HETATM 1968 H8 H A 7 15.160 21.930 31.991 1.00 0.09 H HETATM 1969 H60 H A 7 16.631 21.957 33.554 1.00 0.21 H HETATM 1970 H58 H A 7 15.462 24.355 34.601 1.00 0.08 H HETATM 1971 H59 H A 7 17.160 23.793 34.771 1.00 0.08 H HETATM 1972 H5 H A 7 15.794 24.340 32.109 1.00 0.03 H HETATM 1973 H6 H A 7 16.786 25.538 33.007 1.00 0.03 H HETATM 1974 H3 H A 7 18.717 23.995 32.893 1.00 0.06 H HETATM 1975 H4 H A 7 18.108 24.444 31.264 1.00 0.06 H HETATM 1976 C35 H A 7 18.566 20.347 31.856 1.00 0.27 C HETATM 1977 C40 H A 7 19.609 19.473 31.593 1.00 0.08 C HETATM 1978 C41 H A 7 20.821 19.989 31.163 1.00 0.04 C HETATM 1979 C1 H A 7 22.147 19.320 30.882 1.00 -0.00 C HETATM 1980 C H A 7 22.009 18.295 29.742 1.00 -0.09 C HETATM 1981 H24 H A 7 22.984 17.821 29.555 1.00 0.01 H HETATM 1982 H25 H A 7 21.668 18.805 28.829 1.00 0.01 H HETATM 1983 H26 H A 7 21.276 17.526 30.027 1.00 0.01 H HETATM 1984 C2 H A 7 22.699 18.656 32.157 1.00 -0.09 C HETATM 1985 H33 H A 7 22.787 19.409 32.954 1.00 0.01 H HETATM 1986 H34 H A 7 23.690 18.226 31.947 1.00 0.01 H HETATM 1987 H35 H A 7 22.014 17.858 32.481 1.00 0.01 H HETATM 1988 C3 H A 7 22.936 20.547 30.475 1.00 0.05 C HETATM 1989 N H A 7 24.182 20.467 30.024 1.00 -0.36 N HETATM 1990 H22 H A 7 24.657 19.554 29.982 1.00 0.17 H HETATM 1991 H23 H A 7 24.674 21.318 29.716 1.00 0.17 H HETATM 1992 H57 H A 7 19.479 18.404 31.721 1.00 0.12 H HETATM 1993 O3 H A 7 17.351 19.991 32.390 1.00 -0.23 O HETATM 1994 C36 H A 7 17.082 18.630 32.759 1.00 0.11 C HETATM 1995 C37 H A 7 16.371 17.962 31.607 1.00 -0.01 C HETATM 1996 C38 H A 7 15.138 17.175 31.902 1.00 -0.05 C HETATM 1997 C39 H A 7 15.035 18.476 31.180 1.00 -0.05 C HETATM 1998 H55 H A 7 14.768 18.493 30.113 1.00 0.03 H HETATM 1999 H56 H A 7 14.596 19.351 31.682 1.00 0.03 H HETATM 2000 H53 H A 7 14.774 17.090 32.937 1.00 0.03 H HETATM 2001 H54 H A 7 14.946 16.233 31.367 1.00 0.03 H HETATM 2002 H52 H A 7 17.099 17.611 30.861 1.00 0.03 H HETATM 2003 H50 H A 7 18.027 18.107 32.968 1.00 0.07 H HETATM 2004 H51 H A 7 16.444 18.606 33.655 1.00 0.07 H HETATM 2005 H2 H A 7 20.075 23.309 31.062 1.00 0.08 H HETATM 2006 H1 H A 7 22.635 22.621 30.344 1.00 0.24 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 667 668 672 673 674 CONECT 672 667 CONECT 673 667 CONECT 674 667 CONECT 815 816 821 822 823 CONECT 821 815 CONECT 822 815 CONECT 823 815 CONECT 1303 1304 1310 1311 1312 CONECT 1310 1303 CONECT 1311 1303 CONECT 1312 1303 CONECT 1394 1395 1398 1399 1400 CONECT 1398 1394 CONECT 1399 1394 CONECT 1400 1394 CONECT 1892 1893 1988 2006 CONECT 1893 1892 1894 1978 CONECT 1894 1893 1895 2005 CONECT 1895 1894 1896 1976 CONECT 1896 1895 1897 CONECT 1897 1896 1898 1974 1975 CONECT 1898 1897 1899 1972 1973 CONECT 1899 1898 1900 1970 1971 CONECT 1900 1899 1901 1908 1969 CONECT 1901 1900 1902 1967 1968 CONECT 1902 1901 1903 1907 CONECT 1903 1902 1904 1966 CONECT 1904 1903 1905 1965 CONECT 1905 1904 1906 1912 CONECT 1906 1905 1907 1911 CONECT 1907 1902 1906 1908 CONECT 1908 1900 1907 1909 1910 CONECT 1909 1908 CONECT 1910 1908 CONECT 1911 1906 CONECT 1912 1905 1913 CONECT 1913 1912 1914 1963 1964 CONECT 1914 1913 1915 1961 1962 CONECT 1915 1914 1916 1959 CONECT 1916 1915 1917 1960 CONECT 1917 1916 1918 1958 CONECT 1918 1917 1919 1956 1957 CONECT 1919 1918 1920 1955 CONECT 1920 1919 1921 1945 CONECT 1921 1920 1922 1953 1954 CONECT 1922 1921 1923 1951 1952 CONECT 1923 1922 1924 1944 1950 CONECT 1924 1923 1925 1942 1943 CONECT 1925 1924 1926 1940 1941 CONECT 1926 1925 1927 1930 1939 CONECT 1927 1926 1928 1937 1938 CONECT 1928 1927 1929 1935 1936 CONECT 1929 1928 1930 1933 1934 CONECT 1930 1926 1929 1931 1932 CONECT 1931 1930 CONECT 1932 1930 CONECT 1933 1929 CONECT 1934 1929 CONECT 1935 1928 CONECT 1936 1928 CONECT 1937 1927 CONECT 1938 1927 CONECT 1939 1926 CONECT 1940 1925 CONECT 1941 1925 CONECT 1942 1924 CONECT 1943 1924 CONECT 1944 1923 1945 1948 1949 CONECT 1945 1920 1944 1946 1947 CONECT 1946 1945 CONECT 1947 1945 CONECT 1948 1944 CONECT 1949 1944 CONECT 1950 1923 CONECT 1951 1922 CONECT 1952 1922 CONECT 1953 1921 CONECT 1954 1921 CONECT 1955 1919 CONECT 1956 1918 CONECT 1957 1918 CONECT 1958 1917 1959 CONECT 1959 1915 1958 CONECT 1960 1916 CONECT 1961 1914 CONECT 1962 1914 CONECT 1963 1913 CONECT 1964 1913 CONECT 1965 1904 CONECT 1966 1903 CONECT 1967 1901 CONECT 1968 1901 CONECT 1969 1900 CONECT 1970 1899 CONECT 1971 1899 CONECT 1972 1898 CONECT 1973 1898 CONECT 1974 1897 CONECT 1975 1897 CONECT 1976 1895 1977 1993 CONECT 1977 1976 1978 1992 CONECT 1978 1893 1977 1979 CONECT 1979 1978 1980 1984 1988 CONECT 1980 1979 1981 1982 1983 CONECT 1981 1980 CONECT 1982 1980 CONECT 1983 1980 CONECT 1984 1979 1985 1986 1987 CONECT 1985 1984 CONECT 1986 1984 CONECT 1987 1984 CONECT 1988 1892 1979 1989 CONECT 1989 1988 1990 1991 CONECT 1990 1989 CONECT 1991 1989 CONECT 1992 1977 CONECT 1993 1976 1994 CONECT 1994 1993 1995 2003 2004 CONECT 1995 1994 1996 1997 2002 CONECT 1996 1995 1997 2000 2001 CONECT 1997 1995 1996 1998 1999 CONECT 1998 1997 CONECT 1999 1997 CONECT 2000 1996 CONECT 2001 1996 CONECT 2002 1995 CONECT 2003 1994 CONECT 2004 1994 CONECT 2005 1894 CONECT 2006 1892 MASTER 0 0 0 0 0 0 0 0 2001 5 135 17 END
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Related entries of code: 6i8b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4h75
RCSB PDB
PDBbind
238aa, >4H75_1|Chain... *
4mzf
RCSB PDB
PDBbind
224aa, >4MZF_2|Chain... at 95%
4mzh
RCSB PDB
PDBbind
224aa, >4MZH_1|Chain... at 95%
5jsg
RCSB PDB
PDBbind
222aa, >5JSG_1|Chains... at 95%
5jsj
RCSB PDB
PDBbind
222aa, >5JSJ_1|Chains... at 95%
6qpl
RCSB PDB
PDBbind
222aa, >6QPL_1|Chain... at 96%
6i8y
RCSB PDB
PDBbind
222aa, >6I8Y_1|Chain... at 96%
6i8l
RCSB PDB
PDBbind
222aa, >6I8L_1|Chain... at 96%
5y5w
RCSB PDB
PDBbind
235aa, >5Y5W_1|Chains... at 91%
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
6i8b
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SPIN1
Ligand Name
H7T
EC.Number
E.C.-.-.-.-
Resolution
1.76(Å)
Affinity (Kd/Ki/IC50)
Kd=9.9nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 9008-9025
Ligand Properties
Formula
C
4
2
H
6
1
N
8
O
4
Molecular Weight
741.985
Exact Mass
741.482
No. of atoms
115
No. of bonds
122
Polar Surface Area
127.58
LOGP Value
6.03 (
Computed with XLOGP3
)
6.07 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 8
Canonical SMILES
O=C(N1CC[C@H](CC1)CC[NH+]1CCCC1)Cn1nnc(c1)CCOc1ccc2c(c1)C[N@@H+](C2)CCCOc1cc2[NH+]=C(C(c2cc1OCC1CC1)(C)C)N
InChI String
InChI=1S/C42H58N8O4/c1-42(2)36-23-38(54-29-31-6-7-31)39(24-37(36)44-41(42)43)53-20-5-16-48-25-32-8-9-35(22-33(32)26-48)52-21-13-34-27-50(46-45-34)28-40(51)49-18-11-30(12-19-49)10-17-47-14-3-4-15-47/h8-9,22-24,27,30-31H,3-7,10-21,25-26,28-29H2,1-2H3,(H2,43,44)/p+3
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):
Q9Y657
Entrez Gene ID
NCBI Entrez Gene ID:
10927
ASD
Information of known allosteric effects of PDB entries
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