Browse entries in the PDBbind-CN Database
HEADER 4P0B_COMPLEX COMPND 4P0B_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 123 GLU GLU GLU ARG ALA PHE LEU VAL ALA ARG GLU GLU LEU SEQRES 2 A 123 ALA SER ALA LEU ARG ARG ASP SER GLY GLN ALA PHE SER SEQRES 3 A 123 LEU GLU GLN LEU ARG PRO LEU LEU ALA SER SER LEU PRO SEQRES 4 A 123 LEU ALA ALA ARG TYR LEU GLN LEU ASP ALA ALA ARG LEU SEQRES 5 A 123 VAL ARG CYS ASN ALA HIS GLY GLU PRO ARG ASN TYR LEU SEQRES 6 A 123 ASN THR LEU SER THR ALA LEU ASN ILE LEU GLU LYS TYR SEQRES 7 A 123 GLY ARG ASN LEU LEU SER PRO GLN ARG PRO ARG TYR TRP SEQRES 8 A 123 ARG GLY VAL LYS PHE ASN ASN PRO VAL PHE ARG SER THR SEQRES 9 A 123 VAL ASP ALA VAL GLN GLY GLY ARG ASP VAL LEU ARG LEU SEQRES 10 A 123 TYR GLY TYR THR GLU GLU SEQRES 1 A 46 LEU SER PHE PRO GLU GLY GLN GLU GLU PRO ASP GLU HIS SEQRES 2 A 46 GLN VAL ALA THR VAL THR LEU GLU VAL LEU LEU LEU ARG SEQRES 3 A 46 THR GLU LEU SER LEU LEU LEU GLN ASN THR HIS PRO ARG SEQRES 4 A 46 GLN GLN ALA LEU GLU GLN LEU HET ASP A 203 63 ATOM 1 N GLU A 5 6.268 31.288 -3.280 1.00151.73 N ATOM 2 CA GLU A 5 7.512 32.015 -3.047 1.00172.90 C ATOM 3 C GLU A 5 8.637 31.103 -2.560 1.00176.70 C ATOM 4 O GLU A 5 9.584 30.832 -3.297 1.00179.63 O ATOM 5 CB GLU A 5 7.293 33.185 -2.081 1.00187.29 C ATOM 6 CG GLU A 5 6.323 32.915 -0.944 1.00195.38 C ATOM 7 CD GLU A 5 6.262 34.064 0.043 1.00205.55 C ATOM 8 OE1 GLU A 5 5.402 34.029 0.949 1.00212.27 O ATOM 9 OE2 GLU A 5 7.072 35.006 -0.088 1.00205.04 O ATOM 10 HN3 GLU A 5 5.958 30.840 -2.394 1.00 0.00 H ATOM 11 HN2 GLU A 5 6.425 30.557 -4.003 1.00 0.00 H ATOM 12 HN1 GLU A 5 5.537 31.951 -3.609 1.00 0.00 H ATOM 13 N GLU A 6 8.533 30.632 -1.323 1.00177.29 N ATOM 14 CA GLU A 6 9.574 29.792 -0.747 1.00172.78 C ATOM 15 C GLU A 6 9.241 28.312 -0.897 1.00162.12 C ATOM 16 O GLU A 6 10.118 27.457 -0.773 1.00138.81 O ATOM 17 CB GLU A 6 9.760 30.141 0.729 1.00174.00 C ATOM 18 CG GLU A 6 8.456 30.427 1.456 1.00186.21 C ATOM 19 CD GLU A 6 8.430 31.810 2.079 1.00200.92 C ATOM 20 OE1 GLU A 6 9.502 32.444 2.168 1.00200.70 O ATOM 21 OE2 GLU A 6 7.336 32.267 2.472 1.00207.96 O ATOM 22 H GLU A 6 7.694 30.867 -0.756 1.00 0.00 H ATOM 23 N GLU A 7 7.974 28.013 -1.158 1.00167.55 N ATOM 24 CA GLU A 7 7.555 26.637 -1.395 1.00142.46 C ATOM 25 C GLU A 7 8.116 26.165 -2.736 1.00133.00 C ATOM 26 O GLU A 7 8.376 24.977 -2.931 1.00123.39 O ATOM 27 CB GLU A 7 6.031 26.508 -1.359 1.00146.89 C ATOM 28 CG GLU A 7 5.534 25.073 -1.483 1.00160.76 C ATOM 29 CD GLU A 7 4.053 24.985 -1.795 1.00163.92 C ATOM 30 OE1 GLU A 7 3.389 26.042 -1.854 1.00164.07 O ATOM 31 OE2 GLU A 7 3.550 23.856 -1.981 1.00147.29 O ATOM 32 H GLU A 7 7.267 28.775 -1.194 1.00 0.00 H ATOM 33 N ARG A 8 8.298 27.109 -3.657 1.00119.40 N ATOM 34 CA ARG A 8 8.813 26.804 -4.989 1.00123.65 C ATOM 35 C ARG A 8 10.255 26.313 -4.936 1.00130.63 C ATOM 36 O ARG A 8 10.629 25.388 -5.658 1.00125.10 O ATOM 37 CB ARG A 8 8.721 28.022 -5.912 1.00123.60 C ATOM 38 CG ARG A 8 7.310 28.523 -6.167 1.00129.40 C ATOM 39 CD ARG A 8 7.299 29.591 -7.255 1.00134.80 C ATOM 40 NE ARG A 8 8.076 30.775 -6.900 1.00162.38 N ATOM 41 CZ ARG A 8 7.545 31.914 -6.467 1.00176.96 C ATOM 42 NH1 ARG A 8 6.230 32.022 -6.330 1.00174.39 N ATOM 43 NH2 ARG A 8 8.325 32.943 -6.169 1.00184.83 N ATOM 44 HE ARG A 8 9.111 30.724 -6.992 1.00 0.00 H ATOM 45 HH12 ARG A 8 5.814 32.913 -5.991 1.00 0.00 H ATOM 46 HH11 ARG A 8 5.615 31.216 -6.561 1.00 0.00 H ATOM 47 HH22 ARG A 8 7.906 33.832 -5.831 1.00 0.00 H ATOM 48 HH21 ARG A 8 9.356 32.861 -6.274 1.00 0.00 H ATOM 49 H ARG A 8 8.066 28.095 -3.420 1.00 0.00 H ATOM 50 N ALA A 9 11.063 26.946 -4.090 1.00119.18 N ATOM 51 CA ALA A 9 12.459 26.558 -3.924 1.00115.09 C ATOM 52 C ALA A 9 12.579 25.107 -3.459 1.00120.10 C ATOM 53 O ALA A 9 13.508 24.397 -3.842 1.00111.51 O ATOM 54 CB ALA A 9 13.152 27.490 -2.942 1.00116.73 C ATOM 55 H ALA A 9 10.689 27.740 -3.531 1.00 0.00 H ATOM 56 N PHE A 10 11.630 24.678 -2.633 1.00104.83 N ATOM 57 CA PHE A 10 11.567 23.295 -2.173 1.00114.16 C ATOM 58 C PHE A 10 11.227 22.345 -3.316 1.00111.61 C ATOM 59 O PHE A 10 11.899 21.333 -3.521 1.00106.02 O ATOM 60 CB PHE A 10 10.527 23.159 -1.057 1.00118.71 C ATOM 61 CG PHE A 10 10.330 21.749 -0.577 1.00109.10 C ATOM 62 CD1 PHE A 10 11.181 21.199 0.367 1.00110.47 C ATOM 63 CD2 PHE A 10 9.287 20.976 -1.063 1.00124.73 C ATOM 64 CE1 PHE A 10 11.000 19.903 0.811 1.00129.94 C ATOM 65 CE2 PHE A 10 9.103 19.680 -0.625 1.00127.39 C ATOM 66 CZ PHE A 10 9.960 19.143 0.314 1.00134.31 C ATOM 67 H PHE A 10 10.908 25.351 -2.304 1.00 0.00 H ATOM 68 N LEU A 11 10.175 22.683 -4.053 1.00101.94 N ATOM 69 CA LEU A 11 9.692 21.857 -5.155 1.00103.08 C ATOM 70 C LEU A 11 10.727 21.678 -6.266 1.00110.77 C ATOM 71 O LEU A 11 10.811 20.610 -6.874 1.00 85.72 O ATOM 72 CB LEU A 11 8.389 22.436 -5.709 1.00 82.45 C ATOM 73 CG LEU A 11 7.237 22.338 -4.705 1.00105.75 C ATOM 74 CD1 LEU A 11 5.978 23.007 -5.223 1.00 95.24 C ATOM 75 CD2 LEU A 11 6.967 20.883 -4.350 1.00102.22 C ATOM 76 H LEU A 11 9.677 23.570 -3.837 1.00 0.00 H ATOM 77 N VAL A 12 11.503 22.725 -6.532 1.00 91.82 N ATOM 78 CA VAL A 12 12.575 22.658 -7.522 1.00110.38 C ATOM 79 C VAL A 12 13.593 21.582 -7.153 1.00119.87 C ATOM 80 O VAL A 12 13.934 20.728 -7.974 1.00115.06 O ATOM 81 CB VAL A 12 13.293 24.015 -7.677 1.00121.65 C ATOM 82 CG1 VAL A 12 14.631 23.840 -8.388 1.00 95.85 C ATOM 83 CG2 VAL A 12 12.409 24.996 -8.429 1.00131.15 C ATOM 84 H VAL A 12 11.342 23.616 -6.021 1.00 0.00 H ATOM 85 N ALA A 13 14.072 21.629 -5.914 1.00128.59 N ATOM 86 CA ALA A 13 15.019 20.638 -5.419 1.00118.44 C ATOM 87 C ALA A 13 14.371 19.259 -5.385 1.00101.94 C ATOM 88 O ALA A 13 14.991 18.260 -5.744 1.00109.02 O ATOM 89 CB ALA A 13 15.519 21.026 -4.038 1.00123.39 C ATOM 90 H ALA A 13 13.763 22.394 -5.281 1.00 0.00 H ATOM 91 N ARG A 14 13.119 19.222 -4.941 1.00 90.96 N ATOM 92 CA ARG A 14 12.338 17.992 -4.892 1.00106.18 C ATOM 93 C ARG A 14 12.272 17.333 -6.269 1.00105.45 C ATOM 94 O ARG A 14 12.432 16.120 -6.397 1.00103.68 O ATOM 95 CB ARG A 14 10.931 18.296 -4.370 1.00 82.92 C ATOM 96 CG ARG A 14 10.017 17.092 -4.205 1.00 82.06 C ATOM 97 CD ARG A 14 8.678 17.547 -3.642 1.00 88.70 C ATOM 98 NE ARG A 14 7.718 16.462 -3.453 1.00125.55 N ATOM 99 CZ ARG A 14 6.787 16.119 -4.337 1.00143.36 C ATOM 100 NH1 ARG A 14 6.689 16.769 -5.489 1.00136.71 N ATOM 101 NH2 ARG A 14 5.953 15.125 -4.069 1.00142.34 N ATOM 102 HE ARG A 14 7.767 15.921 -2.566 1.00 0.00 H ATOM 103 HH12 ARG A 14 5.959 16.498 -6.179 1.00 0.00 H ATOM 104 HH11 ARG A 14 7.342 17.550 -5.703 1.00 0.00 H ATOM 105 HH22 ARG A 14 5.224 14.857 -4.761 1.00 0.00 H ATOM 106 HH21 ARG A 14 6.027 14.613 -3.167 1.00 0.00 H ATOM 107 H ARG A 14 12.679 20.106 -4.615 1.00 0.00 H ATOM 108 N GLU A 15 12.037 18.145 -7.295 1.00102.92 N ATOM 109 CA GLU A 15 11.966 17.654 -8.668 1.00114.45 C ATOM 110 C GLU A 15 13.337 17.296 -9.247 1.00108.96 C ATOM 111 O GLU A 15 13.465 16.334 -10.004 1.00107.88 O ATOM 112 CB GLU A 15 11.268 18.682 -9.563 1.00132.22 C ATOM 113 CG GLU A 15 10.996 18.198 -10.976 1.00153.20 C ATOM 114 CD GLU A 15 10.057 17.010 -11.015 1.00171.10 C ATOM 115 OE1 GLU A 15 9.125 16.963 -10.185 1.00163.13 O ATOM 116 OE2 GLU A 15 10.253 16.125 -11.873 1.00186.07 O ATOM 117 H GLU A 15 11.900 19.160 -7.114 1.00 0.00 H ATOM 118 N GLU A 16 14.356 18.074 -8.891 1.00 91.49 N ATOM 119 CA GLU A 16 15.706 17.847 -9.400 1.00100.88 C ATOM 120 C GLU A 16 16.276 16.512 -8.920 1.00113.56 C ATOM 121 O GLU A 16 17.049 15.865 -9.628 1.00122.53 O ATOM 122 CB GLU A 16 16.634 18.996 -8.998 1.00118.73 C ATOM 123 CG GLU A 16 18.038 18.884 -9.572 1.00148.52 C ATOM 124 CD GLU A 16 18.853 20.148 -9.389 1.00169.74 C ATOM 125 OE1 GLU A 16 18.299 21.153 -8.897 1.00177.47 O ATOM 126 OE2 GLU A 16 20.050 20.137 -9.747 1.00174.48 O ATOM 127 H GLU A 16 14.187 18.863 -8.234 1.00 0.00 H ATOM 128 N LEU A 17 15.886 16.099 -7.718 1.00127.49 N ATOM 129 CA LEU A 17 16.350 14.831 -7.163 1.00135.30 C ATOM 130 C LEU A 17 15.475 13.688 -7.661 1.00118.61 C ATOM 131 O LEU A 17 15.933 12.551 -7.782 1.00 97.53 O ATOM 132 CB LEU A 17 16.373 14.863 -5.628 1.00140.38 C ATOM 133 CG LEU A 17 17.496 15.575 -4.858 1.00123.65 C ATOM 134 CD1 LEU A 17 17.814 16.970 -5.381 1.00145.31 C ATOM 135 CD2 LEU A 17 17.159 15.628 -3.372 1.00130.02 C ATOM 136 H LEU A 17 15.237 16.691 -7.162 1.00 0.00 H ATOM 137 N ALA A 18 14.213 13.995 -7.942 1.00124.64 N ATOM 138 CA ALA A 18 13.305 13.017 -8.523 1.00116.31 C ATOM 139 C ALA A 18 13.785 12.651 -9.924 1.00116.95 C ATOM 140 O ALA A 18 13.713 11.493 -10.334 1.00118.94 O ATOM 141 CB ALA A 18 11.888 13.562 -8.565 1.00101.17 C ATOM 142 H ALA A 18 13.867 14.955 -7.742 1.00 0.00 H ATOM 143 N SER A 19 14.274 13.651 -10.651 1.00111.30 N ATOM 144 CA SER A 19 14.840 13.441 -11.980 1.00134.73 C ATOM 145 C SER A 19 16.097 12.580 -11.891 1.00139.24 C ATOM 146 O SER A 19 16.341 11.728 -12.747 1.00142.32 O ATOM 147 CB SER A 19 15.165 14.780 -12.647 1.00126.96 C ATOM 148 OG SER A 19 14.154 15.741 -12.392 1.00136.13 O ATOM 149 HG SER A 19 14.076 15.885 -11.416 1.00 0.00 H ATOM 150 H SER A 19 14.253 14.614 -10.260 1.00 0.00 H ATOM 151 N ALA A 20 16.895 12.821 -10.855 1.00134.52 N ATOM 152 CA ALA A 20 18.110 12.050 -10.609 1.00128.35 C ATOM 153 C ALA A 20 17.809 10.566 -10.426 1.00125.23 C ATOM 154 O ALA A 20 18.563 9.710 -10.887 1.00123.91 O ATOM 155 CB ALA A 20 18.844 12.594 -9.390 1.00114.14 C ATOM 156 H ALA A 20 16.645 13.586 -10.196 1.00 0.00 H ATOM 157 N LEU A 21 16.707 10.269 -9.745 1.00128.66 N ATOM 158 CA LEU A 21 16.297 8.889 -9.509 1.00133.03 C ATOM 159 C LEU A 21 15.842 8.200 -10.792 1.00128.12 C ATOM 160 O LEU A 21 16.023 6.992 -10.951 1.00112.53 O ATOM 161 CB LEU A 21 15.188 8.828 -8.456 1.00109.90 C ATOM 162 CG LEU A 21 15.660 8.710 -7.005 1.00117.77 C ATOM 163 CD1 LEU A 21 14.474 8.615 -6.057 1.00132.04 C ATOM 164 CD2 LEU A 21 16.588 7.513 -6.833 1.00119.49 C ATOM 165 H LEU A 21 16.121 11.042 -9.370 1.00 0.00 H ATOM 166 N ARG A 22 15.253 8.971 -11.702 1.00133.99 N ATOM 167 CA ARG A 22 14.778 8.423 -12.970 1.00122.20 C ATOM 168 C ARG A 22 15.932 8.080 -13.903 1.00123.48 C ATOM 169 O ARG A 22 15.847 7.131 -14.683 1.00130.42 O ATOM 170 CB ARG A 22 13.814 9.389 -13.660 1.00100.42 C ATOM 171 CG ARG A 22 12.383 9.263 -13.176 1.00105.92 C ATOM 172 CD ARG A 22 11.521 10.420 -13.644 1.00118.65 C ATOM 173 NE ARG A 22 11.622 10.618 -15.087 1.00141.86 N ATOM 174 CZ ARG A 22 11.239 11.722 -15.718 1.00161.36 C ATOM 175 NH1 ARG A 22 10.727 12.737 -15.034 1.00159.61 N ATOM 176 NH2 ARG A 22 11.369 11.812 -17.035 1.00182.39 N ATOM 177 HE ARG A 22 12.020 9.845 -15.658 1.00 0.00 H ATOM 178 HH12 ARG A 22 10.428 13.600 -15.531 1.00 0.00 H ATOM 179 HH11 ARG A 22 10.625 12.669 -14.001 1.00 0.00 H ATOM 180 HH22 ARG A 22 11.069 12.677 -17.529 1.00 0.00 H ATOM 181 HH21 ARG A 22 11.771 11.018 -17.573 1.00 0.00 H ATOM 182 H ARG A 22 15.128 9.985 -11.507 1.00 0.00 H ATOM 183 N ARG A 23 17.010 8.853 -13.814 1.00127.54 N ATOM 184 CA ARG A 23 18.209 8.576 -14.593 1.00134.80 C ATOM 185 C ARG A 23 18.904 7.339 -14.047 1.00160.97 C ATOM 186 O ARG A 23 19.090 6.353 -14.759 1.00177.75 O ATOM 187 CB ARG A 23 19.167 9.767 -14.576 1.00128.36 C ATOM 188 CG ARG A 23 18.573 11.051 -15.119 1.00153.20 C ATOM 189 CD ARG A 23 19.650 12.101 -15.324 1.00173.16 C ATOM 190 NE ARG A 23 20.422 12.340 -14.109 1.00179.18 N ATOM 191 CZ ARG A 23 20.213 13.355 -13.277 1.00173.61 C ATOM 192 NH1 ARG A 23 19.252 14.235 -13.525 1.00165.70 N ATOM 193 NH2 ARG A 23 20.969 13.491 -12.196 1.00165.44 N ATOM 194 HE ARG A 23 21.186 11.672 -13.879 1.00 0.00 H ATOM 195 HH12 ARG A 23 19.092 15.028 -12.871 1.00 0.00 H ATOM 196 HH11 ARG A 23 18.659 14.132 -14.373 1.00 0.00 H ATOM 197 HH22 ARG A 23 20.806 14.285 -11.544 1.00 0.00 H ATOM 198 HH21 ARG A 23 21.725 12.804 -12.000 1.00 0.00 H ATOM 199 H ARG A 23 16.997 9.673 -13.174 1.00 0.00 H ATOM 200 N ASP A 24 19.286 7.399 -12.776 1.00160.10 N ATOM 201 CA ASP A 24 19.896 6.259 -12.107 1.00162.30 C ATOM 202 C ASP A 24 18.994 5.760 -10.981 1.00155.48 C ATOM 203 O ASP A 24 18.736 6.479 -10.016 1.00136.12 O ATOM 204 CB ASP A 24 21.282 6.632 -11.570 1.00163.88 C ATOM 205 CG ASP A 24 22.105 5.420 -11.170 1.00178.64 C ATOM 206 OD1 ASP A 24 21.553 4.301 -11.134 1.00184.49 O ATOM 207 OD2 ASP A 24 23.309 5.590 -10.885 1.00179.63 O ATOM 208 H ASP A 24 19.146 8.283 -12.246 1.00 0.00 H ATOM 209 N SER A 25 18.512 4.529 -11.117 1.00148.61 N ATOM 210 CA SER A 25 17.593 3.948 -10.143 1.00133.52 C ATOM 211 C SER A 25 18.281 3.697 -8.805 1.00145.64 C ATOM 212 O SER A 25 17.704 3.930 -7.742 1.00134.74 O ATOM 213 CB SER A 25 16.998 2.645 -10.678 1.00130.84 C ATOM 214 OG SER A 25 18.010 1.785 -11.173 1.00150.26 O ATOM 215 HG SER A 25 17.597 0.952 -11.512 1.00 0.00 H ATOM 216 H SER A 25 18.798 3.963 -11.941 1.00 0.00 H ATOM 217 N GLY A 26 19.519 3.219 -8.869 1.00144.45 N ATOM 218 CA GLY A 26 20.277 2.896 -7.675 1.00142.98 C ATOM 219 C GLY A 26 21.023 4.079 -7.089 1.00142.13 C ATOM 220 O GLY A 26 21.916 3.902 -6.262 1.00145.79 O ATOM 221 H GLY A 26 19.957 3.072 -9.801 1.00 0.00 H ATOM 222 N GLN A 27 20.666 5.282 -7.529 1.00137.58 N ATOM 223 CA GLN A 27 21.299 6.507 -7.051 1.00146.12 C ATOM 224 C GLN A 27 21.149 6.666 -5.541 1.00156.01 C ATOM 225 O GLN A 27 20.048 6.559 -5.001 1.00145.02 O ATOM 226 CB GLN A 27 20.709 7.721 -7.770 1.00154.68 C ATOM 227 CG GLN A 27 21.101 9.057 -7.171 1.00161.19 C ATOM 228 CD GLN A 27 22.265 9.699 -7.896 1.00170.62 C ATOM 229 OE1 GLN A 27 22.892 9.082 -8.758 1.00189.96 O ATOM 230 NE2 GLN A 27 22.557 10.948 -7.555 1.00171.10 N ATOM 231 HE22 GLN A 27 22.000 11.430 -6.821 1.00 0.00 H ATOM 232 HE21 GLN A 27 23.343 11.444 -8.022 1.00 0.00 H ATOM 233 H GLN A 27 19.909 5.352 -8.239 1.00 0.00 H ATOM 234 N ALA A 28 22.264 6.922 -4.865 1.00163.93 N ATOM 235 CA ALA A 28 22.257 7.082 -3.418 1.00154.36 C ATOM 236 C ALA A 28 22.329 8.554 -3.034 1.00149.22 C ATOM 237 O ALA A 28 23.010 9.344 -3.688 1.00151.01 O ATOM 238 CB ALA A 28 23.413 6.315 -2.801 1.00157.86 C ATOM 239 H ALA A 28 23.162 7.010 -5.382 1.00 0.00 H ATOM 240 N PHE A 29 21.622 8.919 -1.970 1.00140.29 N ATOM 241 CA PHE A 29 21.573 10.308 -1.533 1.00134.21 C ATOM 242 C PHE A 29 22.154 10.506 -0.139 1.00138.52 C ATOM 243 O PHE A 29 21.776 9.821 0.811 1.00150.07 O ATOM 244 CB PHE A 29 20.136 10.829 -1.566 1.00141.05 C ATOM 245 CG PHE A 29 19.558 10.933 -2.947 1.00148.48 C ATOM 246 CD1 PHE A 29 19.875 12.007 -3.763 1.00154.70 C ATOM 247 CD2 PHE A 29 18.693 9.966 -3.427 1.00151.62 C ATOM 248 CE1 PHE A 29 19.343 12.112 -5.034 1.00143.14 C ATOM 249 CE2 PHE A 29 18.157 10.064 -4.698 1.00146.06 C ATOM 250 CZ PHE A 29 18.482 11.139 -5.502 1.00140.46 C ATOM 251 H PHE A 29 21.093 8.199 -1.438 1.00 0.00 H ATOM 252 N SER A 30 23.081 11.451 -0.032 1.00118.30 N ATOM 253 CA SER A 30 23.662 11.831 1.247 1.00125.91 C ATOM 254 C SER A 30 22.737 12.782 1.997 1.00132.34 C ATOM 255 O SER A 30 21.648 13.105 1.525 1.00150.69 O ATOM 256 CB SER A 30 25.027 12.487 1.036 1.00125.54 C ATOM 257 OG SER A 30 24.893 13.747 0.403 1.00138.08 O ATOM 258 HG SER A 30 25.789 14.149 0.278 1.00 0.00 H ATOM 259 H SER A 30 23.403 11.937 -0.893 1.00 0.00 H ATOM 260 N LEU A 31 23.178 13.231 3.167 1.00144.04 N ATOM 261 CA LEU A 31 22.425 14.207 3.940 1.00141.18 C ATOM 262 C LEU A 31 22.780 15.599 3.433 1.00139.45 C ATOM 263 O LEU A 31 22.112 16.584 3.750 1.00139.10 O ATOM 264 CB LEU A 31 22.753 14.088 5.429 1.00140.73 C ATOM 265 CG LEU A 31 22.394 12.776 6.127 1.00126.78 C ATOM 266 CD1 LEU A 31 22.934 12.752 7.550 1.00123.77 C ATOM 267 CD2 LEU A 31 20.893 12.567 6.126 1.00115.42 C ATOM 268 H LEU A 31 24.082 12.877 3.539 1.00 0.00 H ATOM 269 N GLU A 32 23.845 15.659 2.639 1.00145.40 N ATOM 270 CA GLU A 32 24.308 16.900 2.035 1.00140.99 C ATOM 271 C GLU A 32 23.394 17.300 0.885 1.00136.92 C ATOM 272 O GLU A 32 23.071 18.475 0.709 1.00127.63 O ATOM 273 CB GLU A 32 25.730 16.707 1.505 1.00153.74 C ATOM 274 CG GLU A 32 26.390 17.964 0.967 1.00179.95 C ATOM 275 CD GLU A 32 26.897 18.869 2.067 1.00200.87 C ATOM 276 OE1 GLU A 32 27.242 18.351 3.151 1.00209.09 O ATOM 277 OE2 GLU A 32 26.958 20.096 1.845 1.00207.42 O ATOM 278 H GLU A 32 24.369 14.783 2.441 1.00 0.00 H ATOM 279 N GLN A 33 22.981 16.307 0.106 1.00133.81 N ATOM 280 CA GLN A 33 22.104 16.520 -1.039 1.00136.04 C ATOM 281 C GLN A 33 20.656 16.727 -0.607 1.00133.56 C ATOM 282 O GLN A 33 19.908 17.474 -1.237 1.00133.40 O ATOM 283 CB GLN A 33 22.204 15.332 -1.996 1.00145.65 C ATOM 284 CG GLN A 33 23.615 15.086 -2.511 1.00146.81 C ATOM 285 CD GLN A 33 23.749 13.774 -3.258 1.00150.49 C ATOM 286 OE1 GLN A 33 22.885 12.903 -3.168 1.00144.21 O ATOM 287 NE2 GLN A 33 24.842 13.624 -3.996 1.00171.38 N ATOM 288 HE22 GLN A 33 25.547 14.387 -4.043 1.00 0.00 H ATOM 289 HE21 GLN A 33 24.994 12.743 -4.527 1.00 0.00 H ATOM 290 H GLN A 33 23.296 15.339 0.321 1.00 0.00 H ATOM 291 N LEU A 34 20.268 16.055 0.472 1.00120.16 N ATOM 292 CA LEU A 34 18.898 16.105 0.973 1.00 95.12 C ATOM 293 C LEU A 34 18.648 17.358 1.804 1.00113.64 C ATOM 294 O LEU A 34 17.532 17.595 2.265 1.00125.67 O ATOM 295 CB LEU A 34 18.597 14.861 1.811 1.00115.68 C ATOM 296 CG LEU A 34 17.914 13.671 1.136 1.00118.98 C ATOM 297 CD1 LEU A 34 18.206 13.632 -0.356 1.00124.23 C ATOM 298 CD2 LEU A 34 18.352 12.376 1.802 1.00111.83 C ATOM 299 H LEU A 34 20.966 15.473 0.978 1.00 0.00 H ATOM 300 N ARG A 35 19.699 18.152 1.987 1.00126.57 N ATOM 301 CA ARG A 35 19.671 19.318 2.871 1.00138.85 C ATOM 302 C ARG A 35 18.539 20.330 2.614 1.00135.37 C ATOM 303 O ARG A 35 17.857 20.729 3.558 1.00124.88 O ATOM 304 CB ARG A 35 21.038 20.018 2.867 1.00145.26 C ATOM 305 CG ARG A 35 21.437 20.651 4.192 1.00148.65 C ATOM 306 CD ARG A 35 20.827 22.028 4.396 1.00171.01 C ATOM 307 NE ARG A 35 21.411 22.701 5.553 1.00190.19 N ATOM 308 CZ ARG A 35 21.060 23.912 5.973 1.00199.66 C ATOM 309 NH1 ARG A 35 20.118 24.592 5.334 1.00201.31 N ATOM 310 NH2 ARG A 35 21.650 24.443 7.036 1.00202.88 N ATOM 311 HE ARG A 35 22.151 22.199 6.084 1.00 0.00 H ATOM 312 HH12 ARG A 35 19.845 25.539 5.665 1.00 0.00 H ATOM 313 HH11 ARG A 35 19.652 24.178 4.502 1.00 0.00 H ATOM 314 HH22 ARG A 35 21.375 25.391 7.364 1.00 0.00 H ATOM 315 HH21 ARG A 35 22.388 23.912 7.541 1.00 0.00 H ATOM 316 H ARG A 35 20.580 17.935 1.479 1.00 0.00 H ATOM 317 N PRO A 36 18.335 20.757 1.351 1.00142.19 N ATOM 318 CA PRO A 36 17.286 21.764 1.146 1.00146.40 C ATOM 319 C PRO A 36 15.875 21.228 1.393 1.00135.96 C ATOM 320 O PRO A 36 14.944 22.017 1.548 1.00133.77 O ATOM 321 CB PRO A 36 17.453 22.143 -0.328 1.00146.91 C ATOM 322 CG PRO A 36 18.072 20.947 -0.951 1.00137.66 C ATOM 323 CD PRO A 36 19.015 20.424 0.086 1.00146.36 C ATOM 324 N LEU A 37 15.725 19.908 1.429 1.00118.13 N ATOM 325 CA LEU A 37 14.430 19.295 1.697 1.00112.98 C ATOM 326 C LEU A 37 14.225 19.081 3.193 1.00135.64 C ATOM 327 O LEU A 37 13.102 18.869 3.650 1.00143.50 O ATOM 328 CB LEU A 37 14.306 17.962 0.957 1.00111.64 C ATOM 329 CG LEU A 37 14.620 17.972 -0.541 1.00117.21 C ATOM 330 CD1 LEU A 37 14.320 16.615 -1.156 1.00121.61 C ATOM 331 CD2 LEU A 37 13.837 19.067 -1.249 1.00104.96 C ATOM 332 H LEU A 37 16.551 19.298 1.262 1.00 0.00 H ATOM 333 N LEU A 38 15.317 19.135 3.949 1.00139.06 N ATOM 334 CA LEU A 38 15.270 18.902 5.389 1.00137.16 C ATOM 335 C LEU A 38 15.172 20.205 6.180 1.00132.79 C ATOM 336 O LEU A 38 14.496 20.267 7.206 1.00127.26 O ATOM 337 CB LEU A 38 16.498 18.109 5.846 1.00132.20 C ATOM 338 CG LEU A 38 16.677 16.712 5.249 1.00111.23 C ATOM 339 CD1 LEU A 38 17.978 16.085 5.724 1.00110.88 C ATOM 340 CD2 LEU A 38 15.497 15.826 5.599 1.00107.74 C ATOM 341 H LEU A 38 16.231 19.349 3.502 1.00 0.00 H ATOM 342 N ALA A 39 15.853 21.240 5.700 1.00134.95 N ATOM 343 CA ALA A 39 15.905 22.516 6.408 1.00151.66 C ATOM 344 C ALA A 39 14.933 23.556 5.852 1.00174.12 C ATOM 345 O ALA A 39 15.241 24.747 5.823 1.00192.24 O ATOM 346 CB ALA A 39 17.327 23.062 6.403 1.00159.34 C ATOM 347 H ALA A 39 16.361 21.139 4.798 1.00 0.00 H ATOM 348 N SER A 40 13.762 23.103 5.414 1.00168.49 N ATOM 349 CA SER A 40 12.722 24.005 4.924 1.00154.77 C ATOM 350 C SER A 40 11.641 24.219 5.981 1.00157.15 C ATOM 351 O SER A 40 11.162 23.266 6.590 1.00135.96 O ATOM 352 CB SER A 40 12.099 23.460 3.640 1.00130.43 C ATOM 353 OG SER A 40 11.744 22.097 3.792 1.00137.93 O ATOM 354 HG SER A 40 11.088 22.008 4.528 1.00 0.00 H ATOM 355 H SER A 40 13.581 22.079 5.420 1.00 0.00 H ATOM 356 N SER A 41 11.242 25.472 6.174 1.00171.22 N ATOM 357 CA SER A 41 10.301 25.834 7.233 1.00184.19 C ATOM 358 C SER A 41 8.863 25.383 6.969 1.00173.91 C ATOM 359 O SER A 41 7.968 25.657 7.766 1.00182.02 O ATOM 360 CB SER A 41 10.335 27.346 7.471 1.00205.99 C ATOM 361 OG SER A 41 9.779 28.047 6.374 1.00219.02 O ATOM 362 HG SER A 41 9.814 29.020 6.554 1.00 0.00 H ATOM 363 H SER A 41 11.611 26.219 5.552 1.00 0.00 H ATOM 364 N LEU A 42 8.649 24.698 5.850 1.00150.87 N ATOM 365 CA LEU A 42 7.320 24.233 5.460 1.00139.36 C ATOM 366 C LEU A 42 6.752 23.187 6.418 1.00135.94 C ATOM 367 O LEU A 42 7.504 22.453 7.058 1.00128.98 O ATOM 368 CB LEU A 42 7.370 23.641 4.051 1.00144.20 C ATOM 369 CG LEU A 42 7.578 24.593 2.875 1.00137.19 C ATOM 370 CD1 LEU A 42 7.719 23.802 1.587 1.00123.52 C ATOM 371 CD2 LEU A 42 6.426 25.580 2.777 1.00142.16 C ATOM 372 H LEU A 42 9.456 24.486 5.230 1.00 0.00 H ATOM 373 N PRO A 43 5.412 23.124 6.522 1.00138.89 N ATOM 374 CA PRO A 43 4.734 22.071 7.287 1.00133.73 C ATOM 375 C PRO A 43 4.777 20.746 6.532 1.00123.75 C ATOM 376 O PRO A 43 5.267 20.705 5.404 1.00141.32 O ATOM 377 CB PRO A 43 3.295 22.581 7.383 1.00133.26 C ATOM 378 CG PRO A 43 3.130 23.463 6.202 1.00126.86 C ATOM 379 CD PRO A 43 4.463 24.126 6.007 1.00133.82 C ATOM 380 N LEU A 44 4.270 19.680 7.143 1.00121.99 N ATOM 381 CA LEU A 44 4.367 18.344 6.558 1.00119.07 C ATOM 382 C LEU A 44 3.572 18.183 5.264 1.00124.37 C ATOM 383 O LEU A 44 4.057 17.585 4.303 1.00126.63 O ATOM 384 CB LEU A 44 3.936 17.278 7.568 1.00123.01 C ATOM 385 CG LEU A 44 5.064 16.513 8.262 1.00131.83 C ATOM 386 CD1 LEU A 44 5.919 17.452 9.100 1.00147.89 C ATOM 387 CD2 LEU A 44 4.507 15.381 9.109 1.00132.68 C ATOM 388 H LEU A 44 3.793 19.799 8.059 1.00 0.00 H ATOM 389 N ALA A 45 2.353 18.714 5.244 1.00139.13 N ATOM 390 CA ALA A 45 1.484 18.601 4.076 1.00142.77 C ATOM 391 C ALA A 45 2.040 19.344 2.862 1.00150.43 C ATOM 392 O ALA A 45 1.658 19.065 1.725 1.00153.87 O ATOM 393 CB ALA A 45 0.082 19.099 4.408 1.00150.45 C ATOM 394 H ALA A 45 2.009 19.224 6.083 1.00 0.00 H ATOM 395 N ALA A 46 2.945 20.286 3.110 1.00148.77 N ATOM 396 CA ALA A 46 3.553 21.069 2.039 1.00139.98 C ATOM 397 C ALA A 46 4.910 20.509 1.620 1.00142.99 C ATOM 398 O ALA A 46 5.543 21.023 0.698 1.00146.76 O ATOM 399 CB ALA A 46 3.687 22.525 2.457 1.00115.21 C ATOM 400 H ALA A 46 3.227 20.470 4.094 1.00 0.00 H ATOM 401 N ARG A 47 5.351 19.454 2.299 1.00127.26 N ATOM 402 CA ARG A 47 6.631 18.825 1.988 1.00118.45 C ATOM 403 C ARG A 47 6.435 17.406 1.463 1.00116.07 C ATOM 404 O ARG A 47 7.258 16.895 0.702 1.00114.61 O ATOM 405 CB ARG A 47 7.546 18.826 3.215 1.00114.84 C ATOM 406 CG ARG A 47 7.988 20.219 3.634 1.00129.79 C ATOM 407 CD ARG A 47 9.155 20.193 4.609 1.00139.75 C ATOM 408 NE ARG A 47 8.804 19.573 5.883 1.00123.20 N ATOM 409 CZ ARG A 47 9.194 18.359 6.257 1.00130.34 C ATOM 410 NH1 ARG A 47 9.957 17.627 5.457 1.00121.59 N ATOM 411 NH2 ARG A 47 8.825 17.878 7.436 1.00141.13 N ATOM 412 HE ARG A 47 8.210 20.117 6.541 1.00 0.00 H ATOM 413 HH12 ARG A 47 10.260 16.677 5.753 1.00 0.00 H ATOM 414 HH11 ARG A 47 10.252 18.003 4.533 1.00 0.00 H ATOM 415 HH22 ARG A 47 9.130 16.928 7.729 1.00 0.00 H ATOM 416 HH21 ARG A 47 8.230 18.451 8.068 1.00 0.00 H ATOM 417 H ARG A 47 4.770 19.068 3.070 1.00 0.00 H ATOM 418 N TYR A 48 5.340 16.776 1.872 1.00110.86 N ATOM 419 CA TYR A 48 4.972 15.467 1.350 1.00115.20 C ATOM 420 C TYR A 48 3.645 15.552 0.605 1.00111.93 C ATOM 421 O TYR A 48 2.575 15.548 1.214 1.00114.03 O ATOM 422 CB TYR A 48 4.906 14.432 2.473 1.00113.01 C ATOM 423 CG TYR A 48 6.241 14.162 3.127 1.00125.71 C ATOM 424 CD1 TYR A 48 6.682 14.928 4.199 1.00119.50 C ATOM 425 CD2 TYR A 48 7.067 13.144 2.666 1.00116.77 C ATOM 426 CE1 TYR A 48 7.905 14.685 4.796 1.00 96.28 C ATOM 427 CE2 TYR A 48 8.290 12.893 3.256 1.00109.98 C ATOM 428 CZ TYR A 48 8.704 13.666 4.320 1.00108.38 C ATOM 429 OH TYR A 48 9.922 13.420 4.911 1.00110.62 O ATOM 430 HH TYR A 48 10.063 14.060 5.653 1.00 0.00 H ATOM 431 H TYR A 48 4.730 17.228 2.583 1.00 0.00 H ATOM 432 N LEU A 49 3.728 15.626 -0.719 1.00111.50 N ATOM 433 CA LEU A 49 2.561 15.873 -1.557 1.00119.29 C ATOM 434 C LEU A 49 1.843 14.584 -1.936 1.00105.02 C ATOM 435 O LEU A 49 0.630 14.577 -2.147 1.00109.06 O ATOM 436 CB LEU A 49 2.972 16.633 -2.819 1.00111.02 C ATOM 437 CG LEU A 49 3.758 17.922 -2.575 1.00107.62 C ATOM 438 CD1 LEU A 49 4.194 18.540 -3.891 1.00112.90 C ATOM 439 CD2 LEU A 49 2.934 18.910 -1.762 1.00112.50 C ATOM 440 H LEU A 49 4.656 15.504 -1.172 1.00 0.00 H ATOM 441 N GLN A 50 2.596 13.494 -2.024 1.00105.80 N ATOM 442 CA GLN A 50 2.021 12.207 -2.380 1.00118.19 C ATOM 443 C GLN A 50 1.910 11.337 -1.137 1.00118.33 C ATOM 444 O GLN A 50 0.886 10.697 -0.902 1.00108.26 O ATOM 445 CB GLN A 50 2.887 11.510 -3.429 1.00120.62 C ATOM 446 CG GLN A 50 2.095 10.749 -4.474 1.00136.17 C ATOM 447 CD GLN A 50 1.329 11.672 -5.400 1.00134.84 C ATOM 448 OE1 GLN A 50 1.909 12.556 -6.031 1.00145.38 O ATOM 449 NE2 GLN A 50 0.019 11.477 -5.479 1.00127.48 N ATOM 450 HE22 GLN A 50 -0.428 10.717 -4.927 1.00 0.00 H ATOM 451 HE21 GLN A 50 -0.561 12.084 -6.093 1.00 0.00 H ATOM 452 H GLN A 50 3.616 13.562 -1.835 1.00 0.00 H ATOM 453 N LEU A 51 2.969 11.338 -0.335 1.00128.69 N ATOM 454 CA LEU A 51 3.029 10.515 0.864 1.00107.45 C ATOM 455 C LEU A 51 2.292 11.189 2.014 1.00104.30 C ATOM 456 O LEU A 51 2.470 12.382 2.260 1.00104.15 O ATOM 457 CB LEU A 51 4.488 10.276 1.258 1.00106.77 C ATOM 458 CG LEU A 51 4.806 9.086 2.162 1.00117.75 C ATOM 459 CD1 LEU A 51 4.462 7.778 1.473 1.00112.29 C ATOM 460 CD2 LEU A 51 6.272 9.109 2.567 1.00112.33 C ATOM 461 H LEU A 51 3.780 11.945 -0.571 1.00 0.00 H ATOM 462 N ASP A 52 1.458 10.428 2.713 1.00 96.41 N ATOM 463 CA ASP A 52 0.805 10.933 3.913 1.00113.10 C ATOM 464 C ASP A 52 1.682 10.628 5.121 1.00116.70 C ATOM 465 O ASP A 52 1.390 9.721 5.900 1.00104.89 O ATOM 466 CB ASP A 52 -0.579 10.309 4.084 1.00118.93 C ATOM 467 CG ASP A 52 -1.502 11.163 4.934 1.00135.53 C ATOM 468 OD1 ASP A 52 -0.996 11.968 5.745 1.00136.16 O ATOM 469 OD2 ASP A 52 -2.736 11.039 4.781 1.00160.77 O ATOM 470 H ASP A 52 1.268 9.455 2.398 1.00 0.00 H ATOM 471 N ALA A 53 2.760 11.393 5.261 1.00103.39 N ATOM 472 CA ALA A 53 3.757 11.157 6.299 1.00109.17 C ATOM 473 C ALA A 53 3.170 11.311 7.697 1.00110.75 C ATOM 474 O ALA A 53 3.517 10.562 8.610 1.00116.24 O ATOM 475 CB ALA A 53 4.946 12.088 6.114 1.00 88.89 C ATOM 476 H ALA A 53 2.898 12.189 4.606 1.00 0.00 H ATOM 477 N ALA A 54 2.283 12.289 7.855 1.00120.86 N ATOM 478 CA ALA A 54 1.648 12.556 9.141 1.00114.13 C ATOM 479 C ALA A 54 0.879 11.340 9.648 1.00113.99 C ATOM 480 O ALA A 54 1.024 10.941 10.803 1.00113.26 O ATOM 481 CB ALA A 54 0.732 13.765 9.039 1.00104.34 C ATOM 482 H ALA A 54 2.034 12.881 7.037 1.00 0.00 H ATOM 483 N ARG A 55 0.060 10.756 8.778 1.00 91.73 N ATOM 484 CA ARG A 55 -0.710 9.568 9.134 1.00102.72 C ATOM 485 C ARG A 55 0.186 8.351 9.356 1.00111.66 C ATOM 486 O ARG A 55 -0.063 7.548 10.251 1.00121.44 O ATOM 487 CB ARG A 55 -1.776 9.269 8.076 1.00 87.34 C ATOM 488 CG ARG A 55 -3.030 10.120 8.217 1.00105.35 C ATOM 489 CD ARG A 55 -4.147 9.636 7.305 1.00118.57 C ATOM 490 NE ARG A 55 -5.379 10.400 7.489 1.00130.45 N ATOM 491 CZ ARG A 55 -5.637 11.561 6.895 1.00148.30 C ATOM 492 NH1 ARG A 55 -4.748 12.103 6.075 1.00151.76 N ATOM 493 NH2 ARG A 55 -6.785 12.184 7.126 1.00156.96 N ATOM 494 HE ARG A 55 -6.102 10.010 8.127 1.00 0.00 H ATOM 495 HH12 ARG A 55 -4.953 13.011 5.612 1.00 0.00 H ATOM 496 HH11 ARG A 55 -3.845 11.620 5.894 1.00 0.00 H ATOM 497 HH22 ARG A 55 -6.986 13.092 6.661 1.00 0.00 H ATOM 498 HH21 ARG A 55 -7.484 11.764 7.772 1.00 0.00 H ATOM 499 H ARG A 55 -0.034 11.155 7.822 1.00 0.00 H ATOM 500 N LEU A 56 1.225 8.219 8.536 1.00104.39 N ATOM 501 CA LEU A 56 2.170 7.113 8.663 1.00110.81 C ATOM 502 C LEU A 56 2.889 7.118 10.009 1.00121.02 C ATOM 503 O LEU A 56 3.162 6.062 10.581 1.00104.89 O ATOM 504 CB LEU A 56 3.198 7.147 7.529 1.00101.45 C ATOM 505 CG LEU A 56 2.838 6.391 6.250 1.00105.70 C ATOM 506 CD1 LEU A 56 3.946 6.537 5.220 1.00 94.68 C ATOM 507 CD2 LEU A 56 2.573 4.923 6.553 1.00 98.17 C ATOM 508 H LEU A 56 1.368 8.923 7.784 1.00 0.00 H ATOM 509 N VAL A 57 3.186 8.311 10.514 1.00102.27 N ATOM 510 CA VAL A 57 3.910 8.455 11.772 1.00115.85 C ATOM 511 C VAL A 57 3.000 8.341 12.995 1.00121.26 C ATOM 512 O VAL A 57 3.257 7.538 13.892 1.00119.56 O ATOM 513 CB VAL A 57 4.681 9.790 11.830 1.00117.94 C ATOM 514 CG1 VAL A 57 5.268 10.006 13.215 1.00120.43 C ATOM 515 CG2 VAL A 57 5.776 9.813 10.776 1.00100.35 C ATOM 516 H VAL A 57 2.894 9.165 9.998 1.00 0.00 H ATOM 517 N ARG A 58 1.935 9.137 13.028 1.00111.77 N ATOM 518 CA ARG A 58 1.072 9.206 14.208 1.00102.69 C ATOM 519 C ARG A 58 0.169 7.990 14.417 1.00106.66 C ATOM 520 O ARG A 58 -0.282 7.739 15.534 1.00127.51 O ATOM 521 CB ARG A 58 0.230 10.485 14.202 1.00 93.52 C ATOM 522 CG ARG A 58 0.997 11.738 14.582 1.00130.23 C ATOM 523 CD ARG A 58 0.101 12.961 14.518 1.00164.31 C ATOM 524 NE ARG A 58 -1.133 12.751 15.269 1.00185.16 N ATOM 525 CZ ARG A 58 -1.289 13.044 16.556 1.00181.44 C ATOM 526 NH1 ARG A 58 -0.283 13.560 17.250 1.00171.69 N ATOM 527 NH2 ARG A 58 -2.452 12.815 17.151 1.00181.59 N ATOM 528 HE ARG A 58 -1.945 12.344 14.763 1.00 0.00 H ATOM 529 HH12 ARG A 58 -0.409 13.788 18.257 1.00 0.00 H ATOM 530 HH11 ARG A 58 0.631 13.737 16.787 1.00 0.00 H ATOM 531 HH22 ARG A 58 -2.575 13.044 18.158 1.00 0.00 H ATOM 532 HH21 ARG A 58 -3.241 12.406 16.611 1.00 0.00 H ATOM 533 H ARG A 58 1.711 9.722 12.198 1.00 0.00 H ATOM 534 N CYS A 59 -0.097 7.237 13.356 1.00106.34 N ATOM 535 CA CYS A 59 -0.967 6.070 13.478 1.00100.10 C ATOM 536 C CYS A 59 -0.167 4.808 13.778 1.00104.91 C ATOM 537 O CYS A 59 -0.726 3.716 13.896 1.00122.94 O ATOM 538 CB CYS A 59 -1.819 5.880 12.220 1.00 92.52 C ATOM 539 SG CYS A 59 -2.947 7.249 11.857 1.00120.76 S ATOM 540 H CYS A 59 0.316 7.480 12.433 1.00 0.00 H ATOM 541 N ASN A 60 1.147 4.971 13.900 1.00 98.83 N ATOM 542 CA ASN A 60 2.028 3.885 14.303 1.00104.82 C ATOM 543 C ASN A 60 2.831 4.288 15.531 1.00121.39 C ATOM 544 O ASN A 60 3.684 3.539 16.009 1.00122.55 O ATOM 545 CB ASN A 60 2.966 3.514 13.158 1.00108.06 C ATOM 546 CG ASN A 60 2.235 2.880 11.995 1.00118.17 C ATOM 547 OD1 ASN A 60 1.880 1.703 12.039 1.00121.44 O ATOM 548 ND2 ASN A 60 1.991 3.664 10.950 1.00100.11 N ATOM 549 HD22 ASN A 60 2.310 4.654 10.957 1.00 0.00 H ATOM 550 HD21 ASN A 60 1.481 3.288 10.126 1.00 0.00 H ATOM 551 H ASN A 60 1.559 5.905 13.701 1.00 0.00 H ATOM 552 N ALA A 61 2.539 5.481 16.041 1.00119.18 N ATOM 553 CA ALA A 61 3.250 6.034 17.188 1.00132.50 C ATOM 554 C ALA A 61 2.698 5.520 18.513 1.00142.01 C ATOM 555 O ALA A 61 2.184 6.295 19.320 1.00147.62 O ATOM 556 CB ALA A 61 3.211 7.555 17.152 1.00121.97 C ATOM 557 H ALA A 61 1.777 6.039 15.607 1.00 0.00 H ATOM 558 N HIS A 62 2.808 4.216 18.737 1.00134.64 N ATOM 559 CA HIS A 62 2.384 3.643 20.008 1.00156.02 C ATOM 560 C HIS A 62 3.520 2.858 20.657 1.00146.38 C ATOM 561 O HIS A 62 4.100 1.959 20.048 1.00145.73 O ATOM 562 CB HIS A 62 1.132 2.776 19.843 1.00170.58 C ATOM 563 CG HIS A 62 1.309 1.617 18.911 1.00181.14 C ATOM 564 ND1 HIS A 62 1.035 1.695 17.564 1.00183.24 N ATOM 565 CD2 HIS A 62 1.718 0.347 19.140 1.00185.82 C ATOM 566 CE1 HIS A 62 1.275 0.525 16.999 1.00187.14 C ATOM 567 NE2 HIS A 62 1.691 -0.311 17.934 1.00188.71 N ATOM 568 H HIS A 62 3.200 3.598 17.999 1.00 0.00 H ATOM 569 N GLY A 63 3.838 3.218 21.896 1.00 95.95 N ATOM 570 CA GLY A 63 4.965 2.633 22.596 1.00115.33 C ATOM 571 C GLY A 63 6.131 3.600 22.671 1.00118.29 C ATOM 572 O GLY A 63 5.939 4.812 22.771 1.00114.98 O ATOM 573 H GLY A 63 3.263 3.939 22.377 1.00 0.00 H ATOM 574 N GLU A 64 7.347 3.064 22.618 1.00124.96 N ATOM 575 CA GLU A 64 8.547 3.890 22.682 1.00133.78 C ATOM 576 C GLU A 64 9.022 4.270 21.283 1.00114.82 C ATOM 577 O GLU A 64 9.081 3.418 20.396 1.00111.99 O ATOM 578 CB GLU A 64 9.662 3.158 23.434 1.00138.49 C ATOM 579 CG GLU A 64 9.218 2.511 24.739 1.00161.01 C ATOM 580 CD GLU A 64 8.761 3.521 25.776 1.00161.55 C ATOM 581 OE1 GLU A 64 9.238 4.675 25.740 1.00149.26 O ATOM 582 OE2 GLU A 64 7.922 3.158 26.627 1.00151.53 O ATOM 583 H GLU A 64 7.444 2.032 22.529 1.00 0.00 H ATOM 584 N PRO A 65 9.356 5.556 21.082 1.00120.28 N ATOM 585 CA PRO A 65 9.863 6.079 19.808 1.00104.90 C ATOM 586 C PRO A 65 11.049 5.282 19.284 1.00 88.14 C ATOM 587 O PRO A 65 11.180 5.098 18.076 1.00150.65 O ATOM 588 CB PRO A 65 10.298 7.500 20.168 1.00112.84 C ATOM 589 CG PRO A 65 9.393 7.882 21.281 1.00 96.37 C ATOM 590 CD PRO A 65 9.189 6.625 22.083 1.00113.61 C ATOM 591 N ARG A 66 11.892 4.803 20.190 1.00126.38 N ATOM 592 CA ARG A 66 13.037 3.987 19.811 1.00143.31 C ATOM 593 C ARG A 66 12.596 2.671 19.174 1.00148.13 C ATOM 594 O ARG A 66 13.385 2.005 18.504 1.00162.30 O ATOM 595 CB ARG A 66 13.923 3.712 21.027 1.00158.04 C ATOM 596 CG ARG A 66 13.224 2.952 22.141 1.00179.49 C ATOM 597 CD ARG A 66 14.122 2.805 23.357 1.00191.08 C ATOM 598 NE ARG A 66 13.491 2.017 24.412 1.00194.17 N ATOM 599 CZ ARG A 66 12.702 2.523 25.353 1.00203.13 C ATOM 600 NH1 ARG A 66 12.440 3.823 25.375 1.00208.28 N ATOM 601 NH2 ARG A 66 12.172 1.729 26.274 1.00210.24 N ATOM 602 HE ARG A 66 13.671 0.993 24.428 1.00 0.00 H ATOM 603 HH12 ARG A 66 11.822 4.216 26.113 1.00 0.00 H ATOM 604 HH11 ARG A 66 12.853 4.449 24.654 1.00 0.00 H ATOM 605 HH22 ARG A 66 11.554 2.127 27.010 1.00 0.00 H ATOM 606 HH21 ARG A 66 12.374 0.709 26.260 1.00 0.00 H ATOM 607 H ARG A 66 11.731 5.016 21.195 1.00 0.00 H ATOM 608 N ASN A 67 11.337 2.298 19.382 1.00134.39 N ATOM 609 CA ASN A 67 10.824 1.058 18.814 1.00132.47 C ATOM 610 C ASN A 67 9.892 1.230 17.613 1.00138.58 C ATOM 611 O ASN A 67 9.992 0.470 16.650 1.00156.06 O ATOM 612 CB ASN A 67 10.111 0.243 19.897 1.00144.20 C ATOM 613 CG ASN A 67 11.005 -0.058 21.084 1.00153.11 C ATOM 614 OD1 ASN A 67 12.219 -0.198 20.943 1.00159.36 O ATOM 615 ND2 ASN A 67 10.405 -0.158 22.265 1.00148.23 N ATOM 616 HD22 ASN A 67 9.375 -0.032 22.337 1.00 0.00 H ATOM 617 HD21 ASN A 67 10.965 -0.362 23.117 1.00 0.00 H ATOM 618 H ASN A 67 10.711 2.898 19.957 1.00 0.00 H ATOM 619 N TYR A 68 8.992 2.211 17.650 1.00111.67 N ATOM 620 CA TYR A 68 8.073 2.379 16.523 1.00122.32 C ATOM 621 C TYR A 68 8.692 3.112 15.332 1.00125.92 C ATOM 622 O TYR A 68 8.279 2.906 14.193 1.00111.67 O ATOM 623 CB TYR A 68 6.736 3.022 16.942 1.00129.36 C ATOM 624 CG TYR A 68 6.776 4.451 17.448 1.00144.76 C ATOM 625 CD1 TYR A 68 6.986 5.516 16.577 1.00149.32 C ATOM 626 CD2 TYR A 68 6.530 4.742 18.783 1.00153.32 C ATOM 627 CE1 TYR A 68 6.999 6.821 17.032 1.00151.89 C ATOM 628 CE2 TYR A 68 6.532 6.045 19.245 1.00156.28 C ATOM 629 CZ TYR A 68 6.772 7.080 18.366 1.00153.33 C ATOM 630 OH TYR A 68 6.780 8.377 18.825 1.00147.32 O ATOM 631 HH TYR A 68 6.966 8.991 18.071 1.00 0.00 H ATOM 632 H TYR A 68 8.943 2.850 18.469 1.00 0.00 H ATOM 633 N LEU A 69 9.679 3.963 15.593 1.00123.11 N ATOM 634 CA LEU A 69 10.377 4.653 14.513 1.00120.48 C ATOM 635 C LEU A 69 11.278 3.692 13.744 1.00125.65 C ATOM 636 O LEU A 69 11.548 3.898 12.563 1.00129.74 O ATOM 637 CB LEU A 69 11.197 5.825 15.053 1.00104.51 C ATOM 638 CG LEU A 69 10.419 7.043 15.559 1.00110.42 C ATOM 639 CD1 LEU A 69 11.376 8.139 16.001 1.00110.05 C ATOM 640 CD2 LEU A 69 9.473 7.556 14.488 1.00129.26 C ATOM 641 H LEU A 69 9.957 4.139 16.579 1.00 0.00 H ATOM 642 N ASN A 70 11.742 2.645 14.419 1.00125.59 N ATOM 643 CA ASN A 70 12.577 1.638 13.774 1.00132.69 C ATOM 644 C ASN A 70 11.729 0.659 12.968 1.00128.72 C ATOM 645 O ASN A 70 12.146 0.179 11.915 1.00138.76 O ATOM 646 CB ASN A 70 13.424 0.892 14.808 1.00136.26 C ATOM 647 CG ASN A 70 14.283 -0.193 14.185 1.00151.49 C ATOM 648 OD1 ASN A 70 13.935 -1.373 14.221 1.00157.79 O ATOM 649 ND2 ASN A 70 15.411 0.204 13.607 1.00149.98 N ATOM 650 HD22 ASN A 70 15.665 1.212 13.601 1.00 0.00 H ATOM 651 HD21 ASN A 70 16.040 -0.494 13.161 1.00 0.00 H ATOM 652 H ASN A 70 11.505 2.542 15.426 1.00 0.00 H ATOM 653 N THR A 71 10.534 0.374 13.474 1.00125.49 N ATOM 654 CA THR A 71 9.568 -0.439 12.751 1.00125.65 C ATOM 655 C THR A 71 9.086 0.321 11.519 1.00128.66 C ATOM 656 O THR A 71 8.864 -0.261 10.454 1.00119.64 O ATOM 657 CB THR A 71 8.367 -0.797 13.655 1.00115.47 C ATOM 658 OG1 THR A 71 8.753 -1.822 14.579 1.00137.58 O ATOM 659 CG2 THR A 71 7.185 -1.288 12.833 1.00122.62 C ATOM 660 HG1 THR A 71 9.502 -1.496 15.138 1.00 0.00 H ATOM 661 H THR A 71 10.282 0.742 14.413 1.00 0.00 H ATOM 662 N LEU A 72 8.962 1.635 11.668 1.00115.44 N ATOM 663 CA LEU A 72 8.501 2.494 10.586 1.00 92.86 C ATOM 664 C LEU A 72 9.580 2.668 9.521 1.00113.16 C ATOM 665 O LEU A 72 9.298 2.594 8.326 1.00101.42 O ATOM 666 CB LEU A 72 8.066 3.854 11.142 1.00 91.79 C ATOM 667 CG LEU A 72 7.309 4.796 10.205 1.00120.19 C ATOM 668 CD1 LEU A 72 6.191 4.056 9.492 1.00113.98 C ATOM 669 CD2 LEU A 72 6.752 5.974 10.990 1.00121.80 C ATOM 670 H LEU A 72 9.201 2.063 12.585 1.00 0.00 H ATOM 671 N SER A 73 10.814 2.897 9.960 1.00117.75 N ATOM 672 CA SER A 73 11.944 3.049 9.046 1.00121.85 C ATOM 673 C SER A 73 12.213 1.775 8.257 1.00118.76 C ATOM 674 O SER A 73 12.635 1.825 7.101 1.00122.68 O ATOM 675 CB SER A 73 13.205 3.444 9.813 1.00115.03 C ATOM 676 OG SER A 73 13.123 4.778 10.279 1.00121.78 O ATOM 677 HG SER A 73 12.344 4.868 10.883 1.00 0.00 H ATOM 678 H SER A 73 10.980 2.970 10.984 1.00 0.00 H ATOM 679 N THR A 74 11.969 0.634 8.893 1.00113.12 N ATOM 680 CA THR A 74 12.176 -0.660 8.255 1.00122.73 C ATOM 681 C THR A 74 11.202 -0.839 7.097 1.00108.79 C ATOM 682 O THR A 74 11.560 -1.370 6.045 1.00124.45 O ATOM 683 CB THR A 74 12.021 -1.816 9.267 1.00113.06 C ATOM 684 OG1 THR A 74 12.975 -1.650 10.325 1.00131.04 O ATOM 685 CG2 THR A 74 12.263 -3.159 8.599 1.00117.05 C ATOM 686 HG1 THR A 74 12.814 -0.786 10.780 1.00 0.00 H ATOM 687 H THR A 74 11.621 0.665 9.873 1.00 0.00 H ATOM 688 N ALA A 75 9.976 -0.369 7.294 1.00 94.62 N ATOM 689 CA ALA A 75 8.952 -0.430 6.260 1.00104.53 C ATOM 690 C ALA A 75 9.282 0.526 5.119 1.00114.85 C ATOM 691 O ALA A 75 9.136 0.180 3.947 1.00115.08 O ATOM 692 CB ALA A 75 7.587 -0.112 6.846 1.00 93.86 C ATOM 693 H ALA A 75 9.740 0.055 8.214 1.00 0.00 H ATOM 694 N LEU A 76 9.724 1.729 5.471 1.00111.17 N ATOM 695 CA LEU A 76 10.085 2.736 4.482 1.00103.92 C ATOM 696 C LEU A 76 11.310 2.319 3.670 1.00112.89 C ATOM 697 O LEU A 76 11.511 2.791 2.554 1.00104.33 O ATOM 698 CB LEU A 76 10.334 4.085 5.158 1.00 79.66 C ATOM 699 CG LEU A 76 9.128 4.703 5.869 1.00 97.44 C ATOM 700 CD1 LEU A 76 9.530 5.957 6.630 1.00 86.35 C ATOM 701 CD2 LEU A 76 8.029 5.009 4.867 1.00 86.01 C ATOM 702 H LEU A 76 9.815 1.958 6.481 1.00 0.00 H ATOM 703 N ASN A 77 12.132 1.437 4.229 1.00122.63 N ATOM 704 CA ASN A 77 13.310 0.964 3.513 1.00128.75 C ATOM 705 C ASN A 77 12.919 -0.016 2.412 1.00128.00 C ATOM 706 O ASN A 77 13.561 -0.080 1.363 1.00126.04 O ATOM 707 CB ASN A 77 14.310 0.319 4.476 1.00129.94 C ATOM 708 CG ASN A 77 15.512 -0.271 3.761 1.00154.70 C ATOM 709 OD1 ASN A 77 15.522 -1.450 3.409 1.00174.35 O ATOM 710 ND2 ASN A 77 16.535 0.548 3.547 1.00152.47 N ATOM 711 HD22 ASN A 77 16.483 1.538 3.862 1.00 0.00 H ATOM 712 HD21 ASN A 77 17.388 0.200 3.065 1.00 0.00 H ATOM 713 H ASN A 77 11.933 1.081 5.186 1.00 0.00 H ATOM 714 N ILE A 78 11.853 -0.768 2.657 1.00105.37 N ATOM 715 CA ILE A 78 11.339 -1.717 1.679 1.00107.86 C ATOM 716 C ILE A 78 10.513 -1.001 0.611 1.00114.48 C ATOM 717 O ILE A 78 10.609 -1.315 -0.577 1.00107.77 O ATOM 718 CB ILE A 78 10.490 -2.806 2.361 1.00105.29 C ATOM 719 CG1 ILE A 78 11.360 -3.640 3.303 1.00122.53 C ATOM 720 CG2 ILE A 78 9.831 -3.702 1.327 1.00113.28 C ATOM 721 CD1 ILE A 78 12.465 -4.400 2.604 1.00129.28 C ATOM 722 H ILE A 78 11.371 -0.677 3.574 1.00 0.00 H ATOM 723 N LEU A 79 9.709 -0.033 1.042 1.00107.93 N ATOM 724 CA LEU A 79 8.887 0.753 0.127 1.00111.56 C ATOM 725 C LEU A 79 9.742 1.527 -0.873 1.00124.64 C ATOM 726 O LEU A 79 9.362 1.692 -2.033 1.00103.99 O ATOM 727 CB LEU A 79 7.988 1.714 0.908 1.00 94.77 C ATOM 728 CG LEU A 79 6.889 1.064 1.751 1.00109.74 C ATOM 729 CD1 LEU A 79 6.151 2.107 2.578 1.00115.75 C ATOM 730 CD2 LEU A 79 5.921 0.292 0.869 1.00 94.94 C ATOM 731 H LEU A 79 9.665 0.170 2.061 1.00 0.00 H ATOM 732 N GLU A 80 10.895 2.003 -0.413 1.00118.24 N ATOM 733 CA GLU A 80 11.837 2.700 -1.280 1.00108.16 C ATOM 734 C GLU A 80 12.394 1.755 -2.340 1.00117.20 C ATOM 735 O GLU A 80 12.647 2.156 -3.477 1.00119.98 O ATOM 736 CB GLU A 80 12.979 3.288 -0.448 1.00 99.95 C ATOM 737 CG GLU A 80 14.133 3.840 -1.267 1.00127.13 C ATOM 738 CD GLU A 80 15.220 4.450 -0.405 1.00138.06 C ATOM 739 OE1 GLU A 80 14.914 4.878 0.728 1.00142.00 O ATOM 740 OE2 GLU A 80 16.383 4.495 -0.858 1.00147.19 O ATOM 741 H GLU A 80 11.131 1.875 0.592 1.00 0.00 H ATOM 742 N LYS A 81 12.565 0.493 -1.964 1.00108.64 N ATOM 743 CA LYS A 81 13.085 -0.517 -2.878 1.00117.95 C ATOM 744 C LYS A 81 12.009 -0.989 -3.850 1.00129.80 C ATOM 745 O LYS A 81 12.309 -1.396 -4.973 1.00142.49 O ATOM 746 CB LYS A 81 13.691 -1.686 -2.100 1.00113.86 C ATOM 747 CG LYS A 81 14.935 -1.293 -1.315 1.00141.36 C ATOM 748 CD LYS A 81 15.524 -2.460 -0.542 1.00155.07 C ATOM 749 CE LYS A 81 16.816 -2.050 0.149 1.00144.12 C ATOM 750 NZ LYS A 81 17.530 -3.208 0.754 1.00144.37 N ATOM 751 HZ1 LYS A 81 16.917 -3.660 1.462 1.00 0.00 H ATOM 752 HZ2 LYS A 81 17.768 -3.894 0.010 1.00 0.00 H ATOM 753 HZ3 LYS A 81 18.403 -2.875 1.212 1.00 0.00 H ATOM 754 H LYS A 81 12.321 0.218 -0.991 1.00 0.00 H ATOM 755 N TYR A 82 10.756 -0.941 -3.411 1.00120.04 N ATOM 756 CA TYR A 82 9.632 -1.212 -4.298 1.00115.98 C ATOM 757 C TYR A 82 9.608 -0.179 -5.421 1.00112.58 C ATOM 758 O TYR A 82 9.246 -0.486 -6.555 1.00106.23 O ATOM 759 CB TYR A 82 8.309 -1.174 -3.531 1.00118.68 C ATOM 760 CG TYR A 82 7.837 -2.522 -3.033 1.00131.17 C ATOM 761 CD1 TYR A 82 7.387 -3.490 -3.920 1.00127.20 C ATOM 762 CD2 TYR A 82 7.821 -2.817 -1.676 1.00136.95 C ATOM 763 CE1 TYR A 82 6.948 -4.721 -3.472 1.00127.18 C ATOM 764 CE2 TYR A 82 7.381 -4.045 -1.218 1.00127.55 C ATOM 765 CZ TYR A 82 6.947 -4.993 -2.120 1.00123.87 C ATOM 766 OH TYR A 82 6.509 -6.216 -1.667 1.00129.25 O ATOM 767 HH TYR A 82 6.236 -6.774 -2.438 1.00 0.00 H ATOM 768 H TYR A 82 10.574 -0.705 -2.415 1.00 0.00 H ATOM 769 N GLY A 83 9.995 1.048 -5.087 1.00114.46 N ATOM 770 CA GLY A 83 10.060 2.130 -6.051 1.00108.25 C ATOM 771 C GLY A 83 11.251 2.016 -6.984 1.00127.10 C ATOM 772 O GLY A 83 11.112 2.144 -8.200 1.00129.77 O ATOM 773 H GLY A 83 10.261 1.239 -4.100 1.00 0.00 H ATOM 774 N ARG A 84 12.426 1.786 -6.406 1.00113.86 N ATOM 775 CA ARG A 84 13.662 1.670 -7.175 1.00109.13 C ATOM 776 C ARG A 84 13.615 0.520 -8.180 1.00129.72 C ATOM 777 O ARG A 84 14.295 0.555 -9.206 1.00135.02 O ATOM 778 CB ARG A 84 14.862 1.499 -6.239 1.00116.14 C ATOM 779 CG ARG A 84 15.234 2.759 -5.472 1.00116.46 C ATOM 780 CD ARG A 84 16.500 2.556 -4.655 1.00118.88 C ATOM 781 NE ARG A 84 16.865 3.754 -3.905 1.00126.87 N ATOM 782 CZ ARG A 84 17.662 4.713 -4.365 1.00121.59 C ATOM 783 NH1 ARG A 84 18.183 4.621 -5.581 1.00143.19 N ATOM 784 NH2 ARG A 84 17.939 5.767 -3.610 1.00115.27 N ATOM 785 HE ARG A 84 16.476 3.864 -2.947 1.00 0.00 H ATOM 786 HH12 ARG A 84 18.806 5.373 -5.938 1.00 0.00 H ATOM 787 HH11 ARG A 84 17.968 3.797 -6.178 1.00 0.00 H ATOM 788 HH22 ARG A 84 18.563 6.516 -3.972 1.00 0.00 H ATOM 789 HH21 ARG A 84 17.532 5.845 -2.656 1.00 0.00 H ATOM 790 H ARG A 84 12.466 1.685 -5.372 1.00 0.00 H ATOM 791 N ASN A 85 12.814 -0.497 -7.879 1.00138.10 N ATOM 792 CA ASN A 85 12.632 -1.630 -8.780 1.00139.16 C ATOM 793 C ASN A 85 11.916 -1.232 -10.067 1.00137.69 C ATOM 794 O ASN A 85 12.312 -1.635 -11.162 1.00139.57 O ATOM 795 CB ASN A 85 11.862 -2.751 -8.079 1.00105.61 C ATOM 796 CG ASN A 85 12.750 -3.605 -7.197 1.00116.63 C ATOM 797 OD1 ASN A 85 13.912 -3.276 -6.963 1.00137.18 O ATOM 798 ND2 ASN A 85 12.205 -4.712 -6.703 1.00118.66 N ATOM 799 HD22 ASN A 85 11.218 -4.951 -6.928 1.00 0.00 H ATOM 800 HD21 ASN A 85 12.766 -5.340 -6.092 1.00 0.00 H ATOM 801 H ASN A 85 12.302 -0.485 -6.974 1.00 0.00 H ATOM 802 N LEU A 86 10.859 -0.441 -9.924 1.00131.20 N ATOM 803 CA LEU A 86 10.069 0.012 -11.064 1.00133.91 C ATOM 804 C LEU A 86 10.843 1.014 -11.918 1.00125.41 C ATOM 805 O LEU A 86 10.498 1.257 -13.074 1.00152.97 O ATOM 806 CB LEU A 86 8.758 0.640 -10.582 1.00135.17 C ATOM 807 CG LEU A 86 7.844 -0.234 -9.720 1.00110.29 C ATOM 808 CD1 LEU A 86 6.566 0.512 -9.373 1.00104.20 C ATOM 809 CD2 LEU A 86 7.530 -1.547 -10.420 1.00115.16 C ATOM 810 H LEU A 86 10.585 -0.134 -8.969 1.00 0.00 H ATOM 811 N LEU A 87 11.892 1.590 -11.338 1.00122.06 N ATOM 812 CA LEU A 87 12.713 2.583 -12.025 1.00131.67 C ATOM 813 C LEU A 87 13.960 1.991 -12.678 1.00134.17 C ATOM 814 O LEU A 87 14.685 2.692 -13.383 1.00130.80 O ATOM 815 CB LEU A 87 13.120 3.692 -11.055 1.00127.05 C ATOM 816 CG LEU A 87 11.991 4.606 -10.579 1.00133.79 C ATOM 817 CD1 LEU A 87 12.526 5.648 -9.611 1.00150.52 C ATOM 818 CD2 LEU A 87 11.309 5.269 -11.765 1.00110.27 C ATOM 819 H LEU A 87 12.136 1.324 -10.363 1.00 0.00 H ATOM 820 N SER A 88 14.209 0.707 -12.443 1.00153.49 N ATOM 821 CA SER A 88 15.393 0.056 -12.991 1.00175.74 C ATOM 822 C SER A 88 15.241 -0.104 -14.500 1.00183.99 C ATOM 823 O SER A 88 14.141 -0.377 -14.984 1.00167.94 O ATOM 824 CB SER A 88 15.626 -1.306 -12.329 1.00178.47 C ATOM 825 OG SER A 88 16.044 -1.161 -10.981 1.00174.80 O ATOM 826 HG SER A 88 15.347 -0.678 -10.471 1.00 0.00 H ATOM 827 H SER A 88 13.548 0.157 -11.858 1.00 0.00 H ATOM 828 N PRO A 89 16.343 0.093 -15.247 1.00206.39 N ATOM 829 CA PRO A 89 16.388 -0.046 -16.708 1.00211.79 C ATOM 830 C PRO A 89 15.687 -1.320 -17.155 1.00195.78 C ATOM 831 O PRO A 89 14.917 -1.307 -18.115 1.00185.10 O ATOM 832 CB PRO A 89 17.885 -0.140 -16.991 1.00222.57 C ATOM 833 CG PRO A 89 18.498 0.703 -15.927 1.00222.17 C ATOM 834 CD PRO A 89 17.657 0.472 -14.695 1.00213.77 C ATOM 835 N GLN A 90 15.968 -2.413 -16.456 1.00187.93 N ATOM 836 CA GLN A 90 15.206 -3.640 -16.614 1.00188.76 C ATOM 837 C GLN A 90 14.465 -3.893 -15.311 1.00182.46 C ATOM 838 O GLN A 90 15.076 -3.966 -14.245 1.00168.32 O ATOM 839 CB GLN A 90 16.106 -4.825 -16.948 1.00199.84 C ATOM 840 CG GLN A 90 15.316 -6.071 -17.316 1.00195.86 C ATOM 841 CD GLN A 90 16.196 -7.270 -17.573 1.00195.96 C ATOM 842 OE1 GLN A 90 17.398 -7.138 -17.800 1.00201.32 O ATOM 843 NE2 GLN A 90 15.600 -8.456 -17.538 1.00196.84 N ATOM 844 HE22 GLN A 90 14.581 -8.520 -17.342 1.00 0.00 H ATOM 845 HE21 GLN A 90 16.153 -9.321 -17.706 1.00 0.00 H ATOM 846 H GLN A 90 16.755 -2.390 -15.777 1.00 0.00 H ATOM 847 N ARG A 91 13.149 -4.032 -15.396 1.00179.35 N ATOM 848 CA ARG A 91 12.339 -4.200 -14.200 1.00153.32 C ATOM 849 C ARG A 91 12.220 -5.679 -13.857 1.00166.33 C ATOM 850 O ARG A 91 12.270 -6.532 -14.745 1.00178.73 O ATOM 851 CB ARG A 91 10.950 -3.596 -14.413 1.00116.97 C ATOM 852 CG ARG A 91 10.931 -2.079 -14.520 1.00107.13 C ATOM 853 CD ARG A 91 9.504 -1.550 -14.527 1.00136.29 C ATOM 854 NE ARG A 91 8.723 -2.097 -15.633 1.00161.08 N ATOM 855 CZ ARG A 91 8.620 -1.525 -16.829 1.00171.72 C ATOM 856 NH1 ARG A 91 9.250 -0.384 -17.076 1.00162.05 N ATOM 857 NH2 ARG A 91 7.889 -2.093 -17.778 1.00180.29 N ATOM 858 HE ARG A 91 8.215 -2.991 -15.475 1.00 0.00 H ATOM 859 HH12 ARG A 91 9.169 0.063 -18.012 1.00 0.00 H ATOM 860 HH11 ARG A 91 9.825 0.064 -16.334 1.00 0.00 H ATOM 861 HH22 ARG A 91 7.810 -1.644 -18.713 1.00 0.00 H ATOM 862 HH21 ARG A 91 7.395 -2.988 -17.588 1.00 0.00 H ATOM 863 H ARG A 91 12.691 -4.021 -16.329 1.00 0.00 H ATOM 864 N PRO A 92 12.072 -5.990 -12.559 1.00172.62 N ATOM 865 CA PRO A 92 11.834 -7.370 -12.119 1.00176.54 C ATOM 866 C PRO A 92 10.602 -7.972 -12.791 1.00164.37 C ATOM 867 O PRO A 92 9.722 -7.233 -13.237 1.00162.07 O ATOM 868 CB PRO A 92 11.617 -7.233 -10.606 1.00172.35 C ATOM 869 CG PRO A 92 11.362 -5.776 -10.368 1.00164.68 C ATOM 870 CD PRO A 92 12.118 -5.050 -11.427 1.00169.49 C ATOM 871 N ARG A 93 10.550 -9.299 -12.862 1.00167.95 N ATOM 872 CA ARG A 93 9.500 -9.997 -13.598 1.00177.03 C ATOM 873 C ARG A 93 8.085 -9.703 -13.116 1.00187.19 C ATOM 874 O ARG A 93 7.248 -9.218 -13.877 1.00188.29 O ATOM 875 CB ARG A 93 9.729 -11.509 -13.541 1.00177.22 C ATOM 876 CG ARG A 93 9.008 -12.279 -14.632 1.00183.30 C ATOM 877 CD ARG A 93 9.359 -13.753 -14.604 1.00195.93 C ATOM 878 NE ARG A 93 8.447 -14.533 -15.436 1.00209.28 N ATOM 879 CZ ARG A 93 8.648 -15.800 -15.779 1.00209.61 C ATOM 880 NH1 ARG A 93 9.735 -16.436 -15.365 1.00194.42 N ATOM 881 NH2 ARG A 93 7.762 -16.431 -16.538 1.00217.44 N ATOM 882 HE ARG A 93 7.585 -14.066 -15.782 1.00 0.00 H ATOM 883 HH12 ARG A 93 9.891 -17.428 -15.634 1.00 0.00 H ATOM 884 HH11 ARG A 93 10.432 -15.943 -14.771 1.00 0.00 H ATOM 885 HH22 ARG A 93 7.920 -17.423 -16.806 1.00 0.00 H ATOM 886 HH21 ARG A 93 6.909 -15.933 -16.865 1.00 0.00 H ATOM 887 H ARG A 93 11.281 -9.858 -12.377 1.00 0.00 H ATOM 888 N TYR A 94 7.825 -9.993 -11.847 1.00181.85 N ATOM 889 CA TYR A 94 6.482 -9.850 -11.300 1.00164.56 C ATOM 890 C TYR A 94 6.241 -8.474 -10.684 1.00145.45 C ATOM 891 O TYR A 94 5.625 -8.366 -9.625 1.00141.63 O ATOM 892 CB TYR A 94 6.215 -10.944 -10.264 1.00158.14 C ATOM 893 CG TYR A 94 6.287 -12.343 -10.832 1.00174.41 C ATOM 894 CD1 TYR A 94 5.144 -13.003 -11.266 1.00185.40 C ATOM 895 CD2 TYR A 94 7.505 -12.997 -10.948 1.00185.73 C ATOM 896 CE1 TYR A 94 5.215 -14.282 -11.790 1.00196.75 C ATOM 897 CE2 TYR A 94 7.586 -14.270 -11.468 1.00192.74 C ATOM 898 CZ TYR A 94 6.440 -14.909 -11.889 1.00193.81 C ATOM 899 OH TYR A 94 6.523 -16.180 -12.409 1.00188.41 O ATOM 900 HH TYR A 94 5.618 -16.492 -12.661 1.00 0.00 H ATOM 901 H TYR A 94 8.594 -10.328 -11.232 1.00 0.00 H ATOM 902 N TRP A 95 6.719 -7.430 -11.357 1.00143.56 N ATOM 903 CA TRP A 95 6.624 -6.065 -10.839 1.00120.28 C ATOM 904 C TRP A 95 5.193 -5.559 -10.634 1.00132.35 C ATOM 905 O TRP A 95 4.930 -4.839 -9.672 1.00154.07 O ATOM 906 CB TRP A 95 7.413 -5.079 -11.710 1.00131.21 C ATOM 907 CG TRP A 95 6.860 -4.891 -13.093 1.00147.00 C ATOM 908 CD1 TRP A 95 7.145 -5.641 -14.197 1.00142.59 C ATOM 909 CD2 TRP A 95 5.910 -3.902 -13.515 1.00145.17 C ATOM 910 NE1 TRP A 95 6.445 -5.172 -15.282 1.00143.58 N ATOM 911 CE2 TRP A 95 5.679 -4.108 -14.891 1.00131.48 C ATOM 912 CE3 TRP A 95 5.237 -2.863 -12.866 1.00137.97 C ATOM 913 CZ2 TRP A 95 4.801 -3.314 -15.626 1.00130.30 C ATOM 914 CZ3 TRP A 95 4.369 -2.076 -13.599 1.00141.67 C ATOM 915 CH2 TRP A 95 4.158 -2.307 -14.964 1.00134.89 C ATOM 916 HE1 TRP A 95 6.490 -5.563 -16.245 1.00 0.00 H ATOM 917 H TRP A 95 7.174 -7.589 -12.279 1.00 0.00 H ATOM 918 N ARG A 96 4.278 -5.923 -11.531 1.00140.78 N ATOM 919 CA ARG A 96 2.900 -5.430 -11.457 1.00149.33 C ATOM 920 C ARG A 96 2.068 -6.100 -10.364 1.00141.97 C ATOM 921 O ARG A 96 0.945 -5.684 -10.099 1.00150.81 O ATOM 922 CB ARG A 96 2.176 -5.574 -12.804 1.00164.44 C ATOM 923 CG ARG A 96 3.068 -5.971 -13.964 1.00176.58 C ATOM 924 CD ARG A 96 2.311 -5.956 -15.288 1.00169.43 C ATOM 925 NE ARG A 96 0.864 -6.006 -15.104 1.00161.55 N ATOM 926 CZ ARG A 96 0.011 -5.107 -15.582 1.00147.09 C ATOM 927 NH1 ARG A 96 0.456 -4.073 -16.281 1.00125.52 N ATOM 928 NH2 ARG A 96 -1.291 -5.243 -15.362 1.00150.73 N ATOM 929 HE ARG A 96 0.473 -6.802 -14.560 1.00 0.00 H ATOM 930 HH12 ARG A 96 -0.214 -3.371 -16.654 1.00 0.00 H ATOM 931 HH11 ARG A 96 1.475 -3.964 -16.456 1.00 0.00 H ATOM 932 HH22 ARG A 96 -1.958 -4.539 -15.737 1.00 0.00 H ATOM 933 HH21 ARG A 96 -1.644 -6.054 -14.815 1.00 0.00 H ATOM 934 H ARG A 96 4.547 -6.570 -12.299 1.00 0.00 H ATOM 935 N GLY A 97 2.617 -7.123 -9.721 1.00144.92 N ATOM 936 CA GLY A 97 1.877 -7.859 -8.710 1.00167.56 C ATOM 937 C GLY A 97 2.509 -7.858 -7.329 1.00163.53 C ATOM 938 O GLY A 97 3.677 -8.212 -7.177 1.00164.62 O ATOM 939 H GLY A 97 3.593 -7.403 -9.945 1.00 0.00 H ATOM 940 N VAL A 98 1.736 -7.457 -6.321 1.00161.86 N ATOM 941 CA VAL A 98 2.193 -7.502 -4.932 1.00161.36 C ATOM 942 C VAL A 98 1.217 -8.301 -4.085 1.00147.13 C ATOM 943 O VAL A 98 0.054 -7.928 -3.925 1.00130.28 O ATOM 944 CB VAL A 98 2.347 -6.099 -4.329 1.00140.99 C ATOM 945 CG1 VAL A 98 2.625 -6.192 -2.829 1.00139.14 C ATOM 946 CG2 VAL A 98 3.450 -5.344 -5.043 1.00132.15 C ATOM 947 H VAL A 98 0.781 -7.102 -6.527 1.00 0.00 H ATOM 948 N LYS A 99 1.695 -9.414 -3.550 1.00159.55 N ATOM 949 CA LYS A 99 0.838 -10.283 -2.767 1.00175.67 C ATOM 950 C LYS A 99 0.983 -9.982 -1.279 1.00183.45 C ATOM 951 O LYS A 99 2.093 -9.769 -0.797 1.00189.24 O ATOM 952 CB LYS A 99 1.201 -11.735 -3.054 1.00187.41 C ATOM 953 CG LYS A 99 1.469 -11.992 -4.542 1.00194.27 C ATOM 954 CD LYS A 99 0.280 -12.542 -5.321 1.00194.01 C ATOM 955 CE LYS A 99 -0.146 -13.910 -4.840 1.00189.83 C ATOM 956 NZ LYS A 99 -1.542 -14.182 -5.274 1.00188.76 N ATOM 957 HZ1 LYS A 99 -2.175 -13.462 -4.872 1.00 0.00 H ATOM 958 HZ2 LYS A 99 -1.594 -14.150 -6.312 1.00 0.00 H ATOM 959 HZ3 LYS A 99 -1.830 -15.124 -4.941 1.00 0.00 H ATOM 960 H LYS A 99 2.694 -9.667 -3.693 1.00 0.00 H ATOM 961 N PHE A 100 -0.134 -9.933 -0.559 1.00176.88 N ATOM 962 CA PHE A 100 -0.099 -9.687 0.883 1.00165.13 C ATOM 963 C PHE A 100 0.619 -10.813 1.638 1.00172.32 C ATOM 964 O PHE A 100 1.363 -10.562 2.591 1.00170.75 O ATOM 965 CB PHE A 100 -1.514 -9.478 1.430 1.00158.17 C ATOM 966 CG PHE A 100 -2.175 -8.212 0.939 1.00160.49 C ATOM 967 CD1 PHE A 100 -1.417 -7.157 0.447 1.00150.58 C ATOM 968 CD2 PHE A 100 -3.551 -8.070 0.986 1.00167.91 C ATOM 969 CE1 PHE A 100 -2.025 -5.994 0.002 1.00137.72 C ATOM 970 CE2 PHE A 100 -4.164 -6.911 0.543 1.00161.86 C ATOM 971 CZ PHE A 100 -3.399 -5.871 0.050 1.00146.66 C ATOM 972 H PHE A 100 -1.051 -10.072 -1.030 1.00 0.00 H ATOM 973 N ASN A 101 0.401 -12.051 1.201 1.00186.22 N ATOM 974 CA ASN A 101 0.977 -13.219 1.865 1.00193.72 C ATOM 975 C ASN A 101 2.479 -13.354 1.645 1.00178.36 C ATOM 976 O ASN A 101 3.123 -14.224 2.234 1.00164.32 O ATOM 977 CB ASN A 101 0.268 -14.495 1.411 1.00222.65 C ATOM 978 CG ASN A 101 -1.189 -14.526 1.818 1.00234.77 C ATOM 979 OD1 ASN A 101 -1.536 -14.197 2.953 1.00226.22 O ATOM 980 ND2 ASN A 101 -2.052 -14.928 0.893 1.00243.77 N ATOM 981 HD22 ASN A 101 -1.713 -15.196 -0.053 1.00 0.00 H ATOM 982 HD21 ASN A 101 -3.067 -14.975 1.114 1.00 0.00 H ATOM 983 H ASN A 101 -0.197 -12.192 0.362 1.00 0.00 H ATOM 984 N ASN A 102 3.023 -12.497 0.784 1.00174.57 N ATOM 985 CA ASN A 102 4.458 -12.470 0.517 1.00181.51 C ATOM 986 C ASN A 102 5.242 -12.186 1.795 1.00184.61 C ATOM 987 O ASN A 102 4.896 -11.271 2.546 1.00180.71 O ATOM 988 CB ASN A 102 4.787 -11.421 -0.548 1.00174.88 C ATOM 989 CG ASN A 102 6.281 -11.219 -0.729 1.00169.41 C ATOM 990 OD1 ASN A 102 6.863 -10.295 -0.163 1.00161.66 O ATOM 991 ND2 ASN A 102 6.905 -12.072 -1.536 1.00166.99 N ATOM 992 HD22 ASN A 102 6.372 -12.839 -1.994 1.00 0.00 H ATOM 993 HD21 ASN A 102 7.926 -11.972 -1.709 1.00 0.00 H ATOM 994 H ASN A 102 2.406 -11.825 0.285 1.00 0.00 H ATOM 995 N PRO A 103 6.293 -12.980 2.046 1.00187.75 N ATOM 996 CA PRO A 103 7.104 -12.915 3.268 1.00175.08 C ATOM 997 C PRO A 103 7.617 -11.513 3.603 1.00156.61 C ATOM 998 O PRO A 103 7.291 -10.975 4.662 1.00148.19 O ATOM 999 CB PRO A 103 8.276 -13.857 2.962 1.00160.07 C ATOM 1000 CG PRO A 103 8.215 -14.126 1.483 1.00159.45 C ATOM 1001 CD PRO A 103 6.766 -14.039 1.141 1.00179.66 C ATOM 1002 N VAL A 104 8.420 -10.944 2.711 1.00152.87 N ATOM 1003 CA VAL A 104 9.024 -9.633 2.927 1.00148.70 C ATOM 1004 C VAL A 104 7.995 -8.530 3.191 1.00141.63 C ATOM 1005 O VAL A 104 8.220 -7.650 4.021 1.00143.93 O ATOM 1006 CB VAL A 104 9.907 -9.230 1.728 1.00156.28 C ATOM 1007 CG1 VAL A 104 10.609 -7.910 1.999 1.00154.48 C ATOM 1008 CG2 VAL A 104 10.923 -10.323 1.429 1.00162.98 C ATOM 1009 H VAL A 104 8.626 -11.451 1.827 1.00 0.00 H ATOM 1010 N PHE A 105 6.865 -8.582 2.495 1.00134.82 N ATOM 1011 CA PHE A 105 5.854 -7.536 2.629 1.00142.06 C ATOM 1012 C PHE A 105 5.125 -7.570 3.971 1.00150.83 C ATOM 1013 O PHE A 105 5.146 -6.593 4.721 1.00143.76 O ATOM 1014 CB PHE A 105 4.837 -7.618 1.489 1.00144.43 C ATOM 1015 CG PHE A 105 3.757 -6.576 1.565 1.00134.81 C ATOM 1016 CD1 PHE A 105 3.995 -5.278 1.142 1.00126.78 C ATOM 1017 CD2 PHE A 105 2.503 -6.893 2.060 1.00136.03 C ATOM 1018 CE1 PHE A 105 3.002 -4.319 1.213 1.00121.60 C ATOM 1019 CE2 PHE A 105 1.507 -5.938 2.134 1.00132.23 C ATOM 1020 CZ PHE A 105 1.758 -4.649 1.709 1.00125.18 C ATOM 1021 H PHE A 105 6.698 -9.378 1.846 1.00 0.00 H ATOM 1022 N ARG A 106 4.477 -8.694 4.260 1.00161.64 N ATOM 1023 CA ARG A 106 3.687 -8.832 5.480 1.00154.75 C ATOM 1024 C ARG A 106 4.537 -8.696 6.742 1.00157.56 C ATOM 1025 O ARG A 106 4.079 -8.163 7.752 1.00155.24 O ATOM 1026 CB ARG A 106 2.927 -10.161 5.483 1.00165.88 C ATOM 1027 CG ARG A 106 1.992 -10.325 6.673 1.00181.53 C ATOM 1028 CD ARG A 106 1.188 -11.611 6.589 1.00191.38 C ATOM 1029 NE ARG A 106 2.030 -12.786 6.390 1.00199.58 N ATOM 1030 CZ ARG A 106 1.558 -14.007 6.163 1.00198.95 C ATOM 1031 NH1 ARG A 106 0.249 -14.212 6.103 1.00201.53 N ATOM 1032 NH2 ARG A 106 2.392 -15.023 5.992 1.00192.39 N ATOM 1033 HE ARG A 106 3.062 -12.660 6.428 1.00 0.00 H ATOM 1034 HH12 ARG A 106 -0.120 -15.168 5.925 1.00 0.00 H ATOM 1035 HH11 ARG A 106 -0.408 -13.417 6.234 1.00 0.00 H ATOM 1036 HH22 ARG A 106 2.019 -15.978 5.814 1.00 0.00 H ATOM 1037 HH21 ARG A 106 3.419 -14.866 6.035 1.00 0.00 H ATOM 1038 H ARG A 106 4.534 -9.496 3.600 1.00 0.00 H ATOM 1039 N SER A 107 5.776 -9.171 6.681 1.00156.63 N ATOM 1040 CA SER A 107 6.670 -9.105 7.833 1.00150.31 C ATOM 1041 C SER A 107 7.161 -7.681 8.083 1.00148.81 C ATOM 1042 O SER A 107 7.514 -7.325 9.207 1.00153.41 O ATOM 1043 CB SER A 107 7.859 -10.051 7.648 1.00150.40 C ATOM 1044 OG SER A 107 8.969 -9.642 8.428 1.00167.96 O ATOM 1045 HG SER A 107 9.245 -8.731 8.155 1.00 0.00 H ATOM 1046 H SER A 107 6.116 -9.598 5.796 1.00 0.00 H ATOM 1047 N THR A 108 7.186 -6.871 7.031 1.00153.51 N ATOM 1048 CA THR A 108 7.727 -5.521 7.132 1.00151.69 C ATOM 1049 C THR A 108 6.666 -4.442 6.933 1.00158.09 C ATOM 1050 O THR A 108 6.284 -3.752 7.878 1.00172.82 O ATOM 1051 CB THR A 108 8.854 -5.297 6.111 1.00153.03 C ATOM 1052 OG1 THR A 108 9.803 -6.367 6.198 1.00169.13 O ATOM 1053 CG2 THR A 108 9.553 -3.982 6.382 1.00159.14 C ATOM 1054 HG1 THR A 108 9.349 -7.225 6.004 1.00 0.00 H ATOM 1055 H THR A 108 6.813 -7.205 6.119 1.00 0.00 H ATOM 1056 N VAL A 109 6.193 -4.303 5.698 1.00150.56 N ATOM 1057 CA VAL A 109 5.303 -3.204 5.332 1.00148.73 C ATOM 1058 C VAL A 109 3.906 -3.342 5.937 1.00137.70 C ATOM 1059 O VAL A 109 3.339 -2.368 6.433 1.00132.96 O ATOM 1060 CB VAL A 109 5.184 -3.064 3.801 1.00133.90 C ATOM 1061 CG1 VAL A 109 4.283 -1.893 3.440 1.00126.72 C ATOM 1062 CG2 VAL A 109 6.560 -2.887 3.177 1.00115.39 C ATOM 1063 H VAL A 109 6.464 -4.996 4.972 1.00 0.00 H ATOM 1064 N ASP A 110 3.361 -4.555 5.908 1.00134.54 N ATOM 1065 CA ASP A 110 2.007 -4.795 6.402 1.00138.94 C ATOM 1066 C ASP A 110 1.938 -4.853 7.928 1.00139.31 C ATOM 1067 O ASP A 110 0.901 -5.192 8.497 1.00141.36 O ATOM 1068 CB ASP A 110 1.438 -6.082 5.803 1.00143.18 C ATOM 1069 CG ASP A 110 0.012 -5.918 5.319 1.00156.27 C ATOM 1070 OD1 ASP A 110 -0.423 -4.763 5.124 1.00153.57 O ATOM 1071 OD2 ASP A 110 -0.675 -6.945 5.133 1.00163.19 O ATOM 1072 H ASP A 110 3.911 -5.350 5.525 1.00 0.00 H ATOM 1073 N ALA A 111 3.047 -4.524 8.583 1.00124.56 N ATOM 1074 CA ALA A 111 3.084 -4.432 10.036 1.00134.70 C ATOM 1075 C ALA A 111 2.862 -2.984 10.456 1.00139.16 C ATOM 1076 O ALA A 111 2.742 -2.678 11.642 1.00137.73 O ATOM 1077 CB ALA A 111 4.411 -4.944 10.570 1.00126.56 C ATOM 1078 H ALA A 111 3.913 -4.327 8.042 1.00 0.00 H ATOM 1079 N VAL A 112 2.813 -2.099 9.466 1.00125.89 N ATOM 1080 CA VAL A 112 2.657 -0.669 9.702 1.00121.90 C ATOM 1081 C VAL A 112 1.343 -0.141 9.123 1.00108.18 C ATOM 1082 O VAL A 112 0.984 -0.458 7.990 1.00134.22 O ATOM 1083 CB VAL A 112 3.847 0.112 9.098 1.00133.35 C ATOM 1084 CG1 VAL A 112 3.507 1.583 8.919 1.00144.68 C ATOM 1085 CG2 VAL A 112 5.087 -0.057 9.963 1.00127.62 C ATOM 1086 H VAL A 112 2.889 -2.439 8.486 1.00 0.00 H ATOM 1087 N GLN A 113 0.631 0.663 9.908 1.00117.08 N ATOM 1088 CA GLN A 113 -0.616 1.274 9.459 1.00123.98 C ATOM 1089 C GLN A 113 -0.374 2.271 8.330 1.00117.49 C ATOM 1090 O GLN A 113 0.307 3.280 8.515 1.00119.38 O ATOM 1091 CB GLN A 113 -1.316 1.977 10.624 1.00125.86 C ATOM 1092 CG GLN A 113 -2.111 1.056 11.534 1.00131.46 C ATOM 1093 CD GLN A 113 -3.454 0.674 10.941 1.00156.05 C ATOM 1094 OE1 GLN A 113 -4.068 1.455 10.213 1.00160.30 O ATOM 1095 NE2 GLN A 113 -3.922 -0.527 11.258 1.00171.91 N ATOM 1096 HE22 GLN A 113 -3.369 -1.154 11.877 1.00 0.00 H ATOM 1097 HE21 GLN A 113 -4.842 -0.841 10.888 1.00 0.00 H ATOM 1098 H GLN A 113 0.973 0.862 10.870 1.00 0.00 H ATOM 1099 N GLY A 114 -0.936 1.983 7.160 1.00130.01 N ATOM 1100 CA GLY A 114 -0.799 2.856 6.008 1.00126.61 C ATOM 1101 C GLY A 114 0.326 2.454 5.075 1.00122.86 C ATOM 1102 O GLY A 114 0.740 3.233 4.216 1.00110.54 O ATOM 1103 H GLY A 114 -1.490 1.107 7.067 1.00 0.00 H ATOM 1104 N GLY A 115 0.822 1.232 5.241 1.00116.93 N ATOM 1105 CA GLY A 115 1.903 0.729 4.413 1.00113.56 C ATOM 1106 C GLY A 115 1.446 0.381 3.009 1.00118.36 C ATOM 1107 O GLY A 115 2.189 0.547 2.041 1.00126.98 O ATOM 1108 H GLY A 115 0.425 0.621 5.983 1.00 0.00 H ATOM 1109 N ARG A 116 0.214 -0.105 2.904 1.00121.51 N ATOM 1110 CA ARG A 116 -0.369 -0.482 1.621 1.00124.08 C ATOM 1111 C ARG A 116 -0.660 0.737 0.752 1.00128.19 C ATOM 1112 O ARG A 116 -0.459 0.704 -0.462 1.00126.31 O ATOM 1113 CB ARG A 116 -1.649 -1.291 1.841 1.00113.86 C ATOM 1114 CG ARG A 116 -1.413 -2.602 2.572 1.00126.42 C ATOM 1115 CD ARG A 116 -2.697 -3.387 2.771 1.00133.05 C ATOM 1116 NE ARG A 116 -2.434 -4.701 3.352 1.00147.29 N ATOM 1117 CZ ARG A 116 -3.376 -5.589 3.652 1.00151.23 C ATOM 1118 NH1 ARG A 116 -4.652 -5.307 3.429 1.00156.36 N ATOM 1119 NH2 ARG A 116 -3.042 -6.759 4.178 1.00138.92 N ATOM 1120 HE ARG A 116 -1.445 -4.959 3.543 1.00 0.00 H ATOM 1121 HH12 ARG A 116 -5.387 -6.004 3.665 1.00 0.00 H ATOM 1122 HH11 ARG A 116 -4.918 -4.389 3.018 1.00 0.00 H ATOM 1123 HH22 ARG A 116 -3.780 -7.453 4.412 1.00 0.00 H ATOM 1124 HH21 ARG A 116 -2.042 -6.983 4.356 1.00 0.00 H ATOM 1125 H ARG A 116 -0.355 -0.221 3.767 1.00 0.00 H ATOM 1126 N ASP A 117 -1.144 1.805 1.379 1.00129.65 N ATOM 1127 CA ASP A 117 -1.503 3.029 0.664 1.00136.77 C ATOM 1128 C ASP A 117 -0.326 3.635 -0.101 1.00117.78 C ATOM 1129 O ASP A 117 -0.519 4.373 -1.067 1.00125.52 O ATOM 1130 CB ASP A 117 -2.088 4.063 1.629 1.00154.71 C ATOM 1131 CG ASP A 117 -3.218 3.502 2.471 1.00169.67 C ATOM 1132 OD1 ASP A 117 -3.354 2.263 2.531 1.00176.62 O ATOM 1133 OD2 ASP A 117 -3.965 4.300 3.074 1.00175.87 O ATOM 1134 H ASP A 117 -1.271 1.769 2.411 1.00 0.00 H ATOM 1135 N VAL A 118 0.890 3.320 0.336 1.00 94.90 N ATOM 1136 CA VAL A 118 2.096 3.801 -0.328 1.00101.19 C ATOM 1137 C VAL A 118 2.296 3.078 -1.659 1.00119.96 C ATOM 1138 O VAL A 118 2.782 3.661 -2.631 1.00120.06 O ATOM 1139 CB VAL A 118 3.338 3.605 0.567 1.00105.97 C ATOM 1140 CG1 VAL A 118 4.593 4.115 -0.129 1.00 87.44 C ATOM 1141 CG2 VAL A 118 3.144 4.313 1.900 1.00 99.97 C ATOM 1142 H VAL A 118 0.984 2.713 1.175 1.00 0.00 H ATOM 1143 N LEU A 119 1.904 1.809 -1.702 1.00100.40 N ATOM 1144 CA LEU A 119 2.000 1.022 -2.925 1.00116.45 C ATOM 1145 C LEU A 119 0.999 1.510 -3.965 1.00108.82 C ATOM 1146 O LEU A 119 1.269 1.478 -5.165 1.00111.60 O ATOM 1147 CB LEU A 119 1.773 -0.463 -2.635 1.00125.31 C ATOM 1148 CG LEU A 119 2.869 -1.189 -1.856 1.00119.29 C ATOM 1149 CD1 LEU A 119 2.591 -2.679 -1.838 1.00119.17 C ATOM 1150 CD2 LEU A 119 4.239 -0.901 -2.451 1.00125.42 C ATOM 1151 H LEU A 119 1.520 1.367 -0.843 1.00 0.00 H ATOM 1152 N ARG A 120 -0.160 1.958 -3.491 1.00103.46 N ATOM 1153 CA ARG A 120 -1.187 2.522 -4.358 1.00103.26 C ATOM 1154 C ARG A 120 -0.674 3.791 -5.029 1.00107.69 C ATOM 1155 O ARG A 120 -1.080 4.128 -6.141 1.00125.34 O ATOM 1156 CB ARG A 120 -2.450 2.825 -3.551 1.00123.93 C ATOM 1157 CG ARG A 120 -2.986 1.627 -2.781 1.00134.65 C ATOM 1158 CD ARG A 120 -4.218 1.991 -1.969 1.00142.98 C ATOM 1159 NE ARG A 120 -4.591 0.931 -1.037 1.00162.38 N ATOM 1160 CZ ARG A 120 -5.599 0.085 -1.228 1.00176.45 C ATOM 1161 NH1 ARG A 120 -6.341 0.169 -2.324 1.00181.90 N ATOM 1162 NH2 ARG A 120 -5.866 -0.846 -0.322 1.00176.64 N ATOM 1163 HE ARG A 120 -4.031 0.831 -0.166 1.00 0.00 H ATOM 1164 HH12 ARG A 120 -7.129 -0.494 -2.471 1.00 0.00 H ATOM 1165 HH11 ARG A 120 -6.135 0.898 -3.037 1.00 0.00 H ATOM 1166 HH22 ARG A 120 -6.655 -1.507 -0.473 1.00 0.00 H ATOM 1167 HH21 ARG A 120 -5.287 -0.915 0.539 1.00 0.00 H ATOM 1168 H ARG A 120 -0.339 1.904 -2.468 1.00 0.00 H ATOM 1169 N LEU A 121 0.221 4.489 -4.336 1.00107.39 N ATOM 1170 CA LEU A 121 0.856 5.687 -4.867 1.00106.27 C ATOM 1171 C LEU A 121 1.817 5.333 -5.995 1.00109.14 C ATOM 1172 O LEU A 121 2.033 6.125 -6.912 1.00124.24 O ATOM 1173 CB LEU A 121 1.609 6.420 -3.755 1.00110.36 C ATOM 1174 CG LEU A 121 0.772 6.940 -2.585 1.00111.73 C ATOM 1175 CD1 LEU A 121 1.655 7.670 -1.585 1.00102.28 C ATOM 1176 CD2 LEU A 121 -0.350 7.842 -3.079 1.00 98.45 C ATOM 1177 H LEU A 121 0.477 4.168 -3.380 1.00 0.00 H ATOM 1178 N TYR A 122 2.392 4.137 -5.918 1.00117.91 N ATOM 1179 CA TYR A 122 3.332 3.666 -6.928 1.00128.89 C ATOM 1180 C TYR A 122 2.627 3.318 -8.237 1.00128.41 C ATOM 1181 O TYR A 122 3.213 3.432 -9.314 1.00138.53 O ATOM 1182 CB TYR A 122 4.105 2.451 -6.412 1.00117.74 C ATOM 1183 CG TYR A 122 5.268 2.798 -5.508 1.00115.43 C ATOM 1184 CD1 TYR A 122 6.096 3.876 -5.792 1.00115.21 C ATOM 1185 CD2 TYR A 122 5.537 2.047 -4.371 1.00117.59 C ATOM 1186 CE1 TYR A 122 7.161 4.195 -4.971 1.00121.83 C ATOM 1187 CE2 TYR A 122 6.600 2.359 -3.543 1.00104.15 C ATOM 1188 CZ TYR A 122 7.408 3.435 -3.847 1.00107.14 C ATOM 1189 OH TYR A 122 8.468 3.752 -3.027 1.00118.14 O ATOM 1190 HH TYR A 122 9.093 2.986 -2.987 1.00 0.00 H ATOM 1191 H TYR A 122 2.165 3.519 -5.113 1.00 0.00 H ATOM 1192 N GLY A 123 1.370 2.894 -8.141 1.00117.19 N ATOM 1193 CA GLY A 123 0.595 2.547 -9.320 1.00115.57 C ATOM 1194 C GLY A 123 -0.245 1.293 -9.161 1.00124.30 C ATOM 1195 O GLY A 123 -1.064 0.975 -10.023 1.00134.75 O ATOM 1196 H GLY A 123 0.932 2.809 -7.201 1.00 0.00 H ATOM 1197 N TYR A 124 -0.043 0.579 -8.057 1.00111.58 N ATOM 1198 CA TYR A 124 -0.809 -0.631 -7.765 1.00116.51 C ATOM 1199 C TYR A 124 -2.241 -0.291 -7.365 1.00131.54 C ATOM 1200 O TYR A 124 -2.617 -0.446 -6.203 1.00123.83 O ATOM 1201 CB TYR A 124 -0.137 -1.430 -6.646 1.00122.01 C ATOM 1202 CG TYR A 124 1.257 -1.907 -6.980 1.00122.32 C ATOM 1203 CD1 TYR A 124 1.459 -3.095 -7.667 1.00114.25 C ATOM 1204 CD2 TYR A 124 2.373 -1.169 -6.605 1.00105.03 C ATOM 1205 CE1 TYR A 124 2.731 -3.534 -7.974 1.00109.13 C ATOM 1206 CE2 TYR A 124 3.650 -1.600 -6.907 1.00105.11 C ATOM 1207 CZ TYR A 124 3.824 -2.783 -7.591 1.00111.81 C ATOM 1208 OH TYR A 124 5.095 -3.216 -7.893 1.00117.75 O ATOM 1209 HH TYR A 124 5.042 -4.075 -8.382 1.00 0.00 H ATOM 1210 H TYR A 124 0.683 0.891 -7.381 1.00 0.00 H ATOM 1211 N THR A 125 -3.039 0.169 -8.324 1.00131.67 N ATOM 1212 CA THR A 125 -4.378 0.664 -8.012 1.00132.73 C ATOM 1213 C THR A 125 -5.446 -0.424 -7.860 1.00147.25 C ATOM 1214 O THR A 125 -6.197 -0.415 -6.883 1.00140.88 O ATOM 1215 CB THR A 125 -4.850 1.712 -9.043 1.00132.52 C ATOM 1216 OG1 THR A 125 -4.662 1.204 -10.369 1.00136.12 O ATOM 1217 CG2 THR A 125 -4.060 3.002 -8.884 1.00112.38 C ATOM 1218 HG1 THR A 125 -4.966 1.879 -11.026 1.00 0.00 H ATOM 1219 H THR A 125 -2.706 0.177 -9.309 1.00 0.00 H ATOM 1220 N GLU A 126 -5.525 -1.355 -8.807 1.00158.42 N ATOM 1221 CA GLU A 126 -6.563 -2.382 -8.725 1.00163.96 C ATOM 1222 C GLU A 126 -6.286 -3.367 -7.596 1.00163.49 C ATOM 1223 O GLU A 126 -5.157 -3.825 -7.411 1.00166.84 O ATOM 1224 CB GLU A 126 -6.786 -3.114 -10.051 1.00174.75 C ATOM 1225 CG GLU A 126 -8.204 -3.671 -10.161 1.00200.18 C ATOM 1226 CD GLU A 126 -8.482 -4.366 -11.478 1.00213.57 C ATOM 1227 OE1 GLU A 126 -7.604 -4.347 -12.365 1.00214.77 O ATOM 1228 OE2 GLU A 126 -9.582 -4.944 -11.620 1.00215.16 O ATOM 1229 H GLU A 126 -4.853 -1.353 -9.601 1.00 0.00 H ATOM 1230 N GLU A 127 -7.334 -3.686 -6.847 1.00149.61 N ATOM 1231 CA GLU A 127 -7.199 -4.426 -5.605 1.00149.66 C ATOM 1232 C GLU A 127 -7.845 -5.801 -5.712 1.00156.25 C ATOM 1233 O GLU A 127 -7.165 -6.800 -5.944 1.00165.76 O ATOM 1234 CB GLU A 127 -7.850 -3.626 -4.478 1.00166.97 C ATOM 1235 CG GLU A 127 -7.579 -4.142 -3.084 1.00187.93 C ATOM 1236 CD GLU A 127 -8.256 -3.294 -2.027 1.00201.90 C ATOM 1237 OE1 GLU A 127 -9.139 -2.489 -2.392 1.00197.34 O ATOM 1238 OE2 GLU A 127 -7.908 -3.430 -0.836 1.00212.67 O ATOM 1239 H GLU A 127 -8.283 -3.397 -7.160 1.00 0.00 H TER 1240 GLU A 127 ATOM 1241 N LEU A 132 -2.670 -6.410 -4.163 1.00119.24 N ATOM 1242 CA LEU A 132 -2.634 -5.207 -4.985 1.00138.11 C ATOM 1243 C LEU A 132 -1.929 -5.471 -6.309 1.00132.47 C ATOM 1244 O LEU A 132 -1.042 -6.321 -6.391 1.00113.12 O ATOM 1245 CB LEU A 132 -1.932 -4.070 -4.241 1.00149.72 C ATOM 1246 CG LEU A 132 -2.675 -3.468 -3.048 1.00146.85 C ATOM 1247 CD1 LEU A 132 -1.907 -2.286 -2.481 1.00142.21 C ATOM 1248 CD2 LEU A 132 -4.075 -3.049 -3.458 1.00145.95 C ATOM 1249 HN3 LEU A 132 -1.698 -6.724 -3.967 1.00 0.00 H ATOM 1250 HN2 LEU A 132 -3.182 -7.160 -4.670 1.00 0.00 H ATOM 1251 HN1 LEU A 132 -3.156 -6.202 -3.267 1.00 0.00 H ATOM 1252 N SER A 133 -2.327 -4.738 -7.344 1.00138.54 N ATOM 1253 CA SER A 133 -1.733 -4.901 -8.664 1.00137.41 C ATOM 1254 C SER A 133 -1.967 -3.680 -9.547 1.00124.36 C ATOM 1255 O SER A 133 -2.848 -2.866 -9.276 1.00118.43 O ATOM 1256 CB SER A 133 -2.289 -6.149 -9.353 1.00147.28 C ATOM 1257 OG SER A 133 -1.638 -6.379 -10.591 1.00168.99 O ATOM 1258 HG SER A 133 -0.669 -6.508 -10.434 1.00 0.00 H ATOM 1259 H SER A 133 -3.079 -4.033 -7.208 1.00 0.00 H ATOM 1260 N PHE A 134 -1.174 -3.568 -10.608 1.00135.65 N ATOM 1261 CA PHE A 134 -1.382 -2.543 -11.622 1.00142.21 C ATOM 1262 C PHE A 134 -2.604 -2.910 -12.453 1.00144.39 C ATOM 1263 O PHE A 134 -2.895 -4.091 -12.639 1.00149.04 O ATOM 1264 CB PHE A 134 -0.161 -2.440 -12.538 1.00140.58 C ATOM 1265 CG PHE A 134 0.923 -1.542 -12.014 1.00141.25 C ATOM 1266 CD1 PHE A 134 1.764 -1.964 -10.999 1.00136.26 C ATOM 1267 CD2 PHE A 134 1.108 -0.276 -12.546 1.00130.65 C ATOM 1268 CE1 PHE A 134 2.764 -1.139 -10.520 1.00119.85 C ATOM 1269 CE2 PHE A 134 2.105 0.553 -12.072 1.00121.37 C ATOM 1270 CZ PHE A 134 2.934 0.122 -11.058 1.00123.70 C ATOM 1271 H PHE A 134 -0.381 -4.232 -10.717 1.00 0.00 H ATOM 1272 N PRO A 135 -3.331 -1.900 -12.954 1.00150.23 N ATOM 1273 CA PRO A 135 -4.443 -2.212 -13.855 1.00157.88 C ATOM 1274 C PRO A 135 -3.894 -2.701 -15.189 1.00163.73 C ATOM 1275 O PRO A 135 -2.761 -2.368 -15.537 1.00166.01 O ATOM 1276 CB PRO A 135 -5.146 -0.862 -14.021 1.00147.18 C ATOM 1277 CG PRO A 135 -4.081 0.149 -13.774 1.00139.06 C ATOM 1278 CD PRO A 135 -3.182 -0.451 -12.731 1.00140.85 C ATOM 1279 N GLU A 136 -4.683 -3.485 -15.916 1.00164.59 N ATOM 1280 CA GLU A 136 -4.239 -4.051 -17.186 1.00156.50 C ATOM 1281 C GLU A 136 -3.944 -2.954 -18.207 1.00143.49 C ATOM 1282 O GLU A 136 -3.012 -3.071 -19.004 1.00144.51 O ATOM 1283 CB GLU A 136 -5.280 -5.033 -17.727 1.00175.03 C ATOM 1284 CG GLU A 136 -4.898 -5.682 -19.045 1.00194.13 C ATOM 1285 CD GLU A 136 -6.040 -6.461 -19.665 1.00194.87 C ATOM 1286 OE1 GLU A 136 -7.060 -6.675 -18.978 1.00193.89 O ATOM 1287 OE2 GLU A 136 -5.913 -6.863 -20.840 1.00198.41 O ATOM 1288 H GLU A 136 -5.640 -3.701 -15.572 1.00 0.00 H ATOM 1289 N GLY A 137 -4.746 -1.894 -18.178 1.00126.16 N ATOM 1290 CA GLY A 137 -4.541 -0.742 -19.040 1.00144.54 C ATOM 1291 C GLY A 137 -3.163 -0.125 -18.885 1.00170.30 C ATOM 1292 O GLY A 137 -2.617 0.450 -19.827 1.00185.69 O ATOM 1293 H GLY A 137 -5.548 -1.889 -17.516 1.00 0.00 H ATOM 1294 N GLN A 138 -2.610 -0.236 -17.680 1.00166.22 N ATOM 1295 CA GLN A 138 -1.267 0.248 -17.388 1.00154.97 C ATOM 1296 C GLN A 138 -0.238 -0.810 -17.771 1.00154.71 C ATOM 1297 O GLN A 138 -0.064 -1.809 -17.069 1.00136.90 O ATOM 1298 CB GLN A 138 -1.139 0.583 -15.902 1.00156.22 C ATOM 1299 CG GLN A 138 0.156 1.281 -15.526 1.00166.20 C ATOM 1300 CD GLN A 138 0.072 2.790 -15.660 1.00174.29 C ATOM 1301 OE1 GLN A 138 0.472 3.360 -16.675 1.00179.22 O ATOM 1302 NE2 GLN A 138 -0.445 3.446 -14.627 1.00175.55 N ATOM 1303 HE22 GLN A 138 -0.771 2.923 -13.789 1.00 0.00 H ATOM 1304 HE21 GLN A 138 -0.524 4.483 -14.656 1.00 0.00 H ATOM 1305 H GLN A 138 -3.157 -0.685 -16.918 1.00 0.00 H ATOM 1306 N GLU A 139 0.441 -0.583 -18.891 1.00174.71 N ATOM 1307 CA GLU A 139 1.411 -1.536 -19.413 1.00180.23 C ATOM 1308 C GLU A 139 2.801 -1.280 -18.840 1.00168.65 C ATOM 1309 O GLU A 139 3.650 -2.172 -18.822 1.00141.34 O ATOM 1310 CB GLU A 139 1.459 -1.464 -20.943 1.00187.76 C ATOM 1311 CG GLU A 139 1.850 -0.097 -21.499 1.00193.47 C ATOM 1312 CD GLU A 139 0.685 0.872 -21.586 1.00194.79 C ATOM 1313 OE1 GLU A 139 -0.469 0.409 -21.693 1.00200.09 O ATOM 1314 OE2 GLU A 139 0.925 2.097 -21.537 1.00185.04 O ATOM 1315 H GLU A 139 0.275 0.302 -19.411 1.00 0.00 H ATOM 1316 N GLU A 140 3.021 -0.057 -18.370 1.00171.25 N ATOM 1317 CA GLU A 140 4.314 0.340 -17.826 1.00173.91 C ATOM 1318 C GLU A 140 4.127 1.466 -16.807 1.00170.64 C ATOM 1319 O GLU A 140 3.249 2.312 -16.972 1.00173.80 O ATOM 1320 CB GLU A 140 5.260 0.757 -18.957 1.00178.01 C ATOM 1321 CG GLU A 140 4.664 1.721 -19.968 1.00189.14 C ATOM 1322 CD GLU A 140 5.414 1.702 -21.286 1.00191.08 C ATOM 1323 OE1 GLU A 140 6.571 1.229 -21.302 1.00182.75 O ATOM 1324 OE2 GLU A 140 4.849 2.151 -22.305 1.00194.83 O ATOM 1325 H GLU A 140 2.248 0.638 -18.391 1.00 0.00 H ATOM 1326 N PRO A 141 4.959 1.479 -15.752 1.00156.48 N ATOM 1327 CA PRO A 141 4.797 2.428 -14.643 1.00139.43 C ATOM 1328 C PRO A 141 5.136 3.867 -15.020 1.00135.86 C ATOM 1329 O PRO A 141 5.965 4.111 -15.896 1.00135.08 O ATOM 1330 CB PRO A 141 5.807 1.922 -13.609 1.00139.35 C ATOM 1331 CG PRO A 141 6.826 1.182 -14.402 1.00133.79 C ATOM 1332 CD PRO A 141 6.062 0.533 -15.511 1.00153.17 C ATOM 1333 N ASP A 142 4.481 4.810 -14.350 1.00125.65 N ATOM 1334 CA ASP A 142 4.755 6.227 -14.534 1.00114.83 C ATOM 1335 C ASP A 142 6.111 6.537 -13.914 1.00126.66 C ATOM 1336 O ASP A 142 6.281 6.450 -12.699 1.00126.07 O ATOM 1337 CB ASP A 142 3.669 7.059 -13.855 1.00108.61 C ATOM 1338 CG ASP A 142 3.721 8.523 -14.239 1.00129.79 C ATOM 1339 OD1 ASP A 142 4.741 8.969 -14.808 1.00151.07 O ATOM 1340 OD2 ASP A 142 2.736 9.237 -13.956 1.00123.73 O ATOM 1341 H ASP A 142 3.747 4.525 -13.671 1.00 0.00 H ATOM 1342 N GLU A 143 7.072 6.902 -14.754 1.00135.57 N ATOM 1343 CA GLU A 143 8.443 7.095 -14.299 1.00135.64 C ATOM 1344 C GLU A 143 8.587 8.307 -13.383 1.00129.28 C ATOM 1345 O GLU A 143 9.405 8.305 -12.465 1.00136.20 O ATOM 1346 CB GLU A 143 9.382 7.235 -15.499 1.00136.10 C ATOM 1347 CG GLU A 143 10.734 6.566 -15.316 1.00148.80 C ATOM 1348 CD GLU A 143 10.872 5.305 -16.147 1.00178.82 C ATOM 1349 OE1 GLU A 143 9.936 4.993 -16.913 1.00194.90 O ATOM 1350 OE2 GLU A 143 11.915 4.625 -16.036 1.00175.90 O ATOM 1351 H GLU A 143 6.842 7.053 -15.757 1.00 0.00 H ATOM 1352 N HIS A 144 7.773 9.331 -13.621 1.00123.52 N ATOM 1353 CA HIS A 144 7.848 10.559 -12.837 1.00125.08 C ATOM 1354 C HIS A 144 7.229 10.401 -11.450 1.00133.84 C ATOM 1355 O HIS A 144 7.801 10.845 -10.454 1.00112.00 O ATOM 1356 CB HIS A 144 7.181 11.715 -13.586 1.00113.46 C ATOM 1357 CG HIS A 144 7.201 13.011 -12.837 1.00135.58 C ATOM 1358 ND1 HIS A 144 6.129 13.459 -12.094 1.00144.90 N ATOM 1359 CD2 HIS A 144 8.164 13.954 -12.713 1.00139.13 C ATOM 1360 CE1 HIS A 144 6.431 14.622 -11.547 1.00147.24 C ATOM 1361 NE2 HIS A 144 7.661 14.946 -11.907 1.00146.12 N ATOM 1362 H HIS A 144 7.068 9.255 -14.382 1.00 0.00 H ATOM 1363 N GLN A 145 6.059 9.769 -11.393 1.00130.27 N ATOM 1364 CA GLN A 145 5.338 9.590 -10.135 1.00118.75 C ATOM 1365 C GLN A 145 6.105 8.696 -9.164 1.00115.83 C ATOM 1366 O GLN A 145 6.328 9.073 -8.014 1.00117.02 O ATOM 1367 CB GLN A 145 3.938 9.021 -10.376 1.00 97.40 C ATOM 1368 CG GLN A 145 3.192 8.670 -9.095 1.00131.90 C ATOM 1369 CD GLN A 145 1.720 8.405 -9.330 1.00152.31 C ATOM 1370 OE1 GLN A 145 1.351 7.619 -10.200 1.00160.53 O ATOM 1371 NE2 GLN A 145 0.868 9.064 -8.552 1.00163.46 N ATOM 1372 HE22 GLN A 145 1.225 9.720 -7.828 1.00 0.00 H ATOM 1373 HE21 GLN A 145 -0.156 8.924 -8.667 1.00 0.00 H ATOM 1374 H GLN A 145 5.646 9.392 -12.270 1.00 0.00 H ATOM 1375 N VAL A 146 6.484 7.508 -9.630 1.00109.16 N ATOM 1376 CA VAL A 146 7.258 6.560 -8.828 1.00117.12 C ATOM 1377 C VAL A 146 8.503 7.195 -8.209 1.00121.93 C ATOM 1378 O VAL A 146 8.742 7.063 -7.008 1.00114.63 O ATOM 1379 CB VAL A 146 7.678 5.328 -9.658 1.00113.18 C ATOM 1380 CG1 VAL A 146 8.595 4.426 -8.847 1.00125.79 C ATOM 1381 CG2 VAL A 146 6.454 4.562 -10.130 1.00102.41 C ATOM 1382 H VAL A 146 6.220 7.244 -10.601 1.00 0.00 H ATOM 1383 N ALA A 147 9.285 7.890 -9.031 1.00117.45 N ATOM 1384 CA ALA A 147 10.503 8.550 -8.566 1.00113.83 C ATOM 1385 C ALA A 147 10.197 9.621 -7.525 1.00 96.55 C ATOM 1386 O ALA A 147 11.025 9.926 -6.668 1.00100.72 O ATOM 1387 CB ALA A 147 11.271 9.147 -9.736 1.00 81.45 C ATOM 1388 H ALA A 147 9.022 7.966 -10.034 1.00 0.00 H ATOM 1389 N THR A 148 8.998 10.187 -7.610 1.00 76.13 N ATOM 1390 CA THR A 148 8.565 11.224 -6.683 1.00104.23 C ATOM 1391 C THR A 148 8.150 10.618 -5.345 1.00110.70 C ATOM 1392 O THR A 148 8.494 11.140 -4.282 1.00 97.86 O ATOM 1393 CB THR A 148 7.397 12.041 -7.276 1.00 81.83 C ATOM 1394 OG1 THR A 148 7.880 12.857 -8.350 1.00110.61 O ATOM 1395 CG2 THR A 148 6.767 12.929 -6.224 1.00113.17 C ATOM 1396 HG1 THR A 148 8.269 12.279 -9.053 1.00 0.00 H ATOM 1397 H THR A 148 8.348 9.880 -8.362 1.00 0.00 H ATOM 1398 N VAL A 149 7.425 9.505 -5.402 1.00 94.46 N ATOM 1399 CA VAL A 149 7.029 8.786 -4.198 1.00105.74 C ATOM 1400 C VAL A 149 8.255 8.166 -3.534 1.00110.62 C ATOM 1401 O VAL A 149 8.409 8.226 -2.313 1.00110.28 O ATOM 1402 CB VAL A 149 5.999 7.685 -4.509 1.00 96.93 C ATOM 1403 CG1 VAL A 149 5.659 6.904 -3.249 1.00115.49 C ATOM 1404 CG2 VAL A 149 4.743 8.295 -5.101 1.00 92.41 C ATOM 1405 H VAL A 149 7.133 9.138 -6.330 1.00 0.00 H ATOM 1406 N THR A 150 9.123 7.576 -4.351 1.00106.44 N ATOM 1407 CA THR A 150 10.353 6.956 -3.871 1.00108.92 C ATOM 1408 C THR A 150 11.219 7.974 -3.136 1.00110.64 C ATOM 1409 O THR A 150 11.817 7.668 -2.104 1.00105.37 O ATOM 1410 CB THR A 150 11.161 6.344 -5.037 1.00 84.41 C ATOM 1411 OG1 THR A 150 10.363 5.366 -5.715 1.00 95.25 O ATOM 1412 CG2 THR A 150 12.443 5.692 -4.533 1.00 88.81 C ATOM 1413 HG1 THR A 150 9.546 5.798 -6.071 1.00 0.00 H ATOM 1414 H THR A 150 8.917 7.556 -5.370 1.00 0.00 H ATOM 1415 N LEU A 151 11.273 9.188 -3.672 1.00101.79 N ATOM 1416 CA LEU A 151 12.054 10.259 -3.067 1.00103.89 C ATOM 1417 C LEU A 151 11.462 10.656 -1.718 1.00112.77 C ATOM 1418 O LEU A 151 12.192 10.854 -0.746 1.00 94.12 O ATOM 1419 CB LEU A 151 12.110 11.468 -4.006 1.00 93.10 C ATOM 1420 CG LEU A 151 13.121 12.584 -3.722 1.00 99.72 C ATOM 1421 CD1 LEU A 151 12.542 13.644 -2.793 1.00118.05 C ATOM 1422 CD2 LEU A 151 14.414 12.013 -3.152 1.00 85.39 C ATOM 1423 H LEU A 151 10.744 9.379 -4.547 1.00 0.00 H ATOM 1424 N GLU A 152 10.139 10.772 -1.666 1.00 95.81 N ATOM 1425 CA GLU A 152 9.449 11.145 -0.434 1.00 98.35 C ATOM 1426 C GLU A 152 9.581 10.060 0.628 1.00100.68 C ATOM 1427 O GLU A 152 9.724 10.355 1.815 1.00 97.09 O ATOM 1428 CB GLU A 152 7.975 11.447 -0.705 1.00 74.66 C ATOM 1429 CG GLU A 152 7.731 12.788 -1.379 1.00 91.29 C ATOM 1430 CD GLU A 152 6.258 13.135 -1.469 1.00102.89 C ATOM 1431 OE1 GLU A 152 5.421 12.242 -1.224 1.00114.70 O ATOM 1432 OE2 GLU A 152 5.937 14.302 -1.782 1.00118.21 O ATOM 1433 H GLU A 152 9.581 10.593 -2.525 1.00 0.00 H ATOM 1434 N VAL A 153 9.526 8.806 0.192 1.00 99.01 N ATOM 1435 CA VAL A 153 9.731 7.669 1.080 1.00 97.19 C ATOM 1436 C VAL A 153 11.148 7.695 1.647 1.00110.68 C ATOM 1437 O VAL A 153 11.348 7.541 2.853 1.00107.27 O ATOM 1438 CB VAL A 153 9.485 6.335 0.349 1.00 90.90 C ATOM 1439 CG1 VAL A 153 10.100 5.183 1.118 1.00 94.15 C ATOM 1440 CG2 VAL A 153 7.995 6.108 0.146 1.00 74.19 C ATOM 1441 H VAL A 153 9.331 8.631 -0.814 1.00 0.00 H ATOM 1442 N LEU A 154 12.124 7.893 0.766 1.00113.76 N ATOM 1443 CA LEU A 154 13.522 8.017 1.168 1.00107.98 C ATOM 1444 C LEU A 154 13.695 9.199 2.116 1.00114.22 C ATOM 1445 O LEU A 154 14.429 9.116 3.100 1.00113.92 O ATOM 1446 CB LEU A 154 14.416 8.177 -0.068 1.00116.73 C ATOM 1447 CG LEU A 154 15.939 8.260 0.087 1.00120.29 C ATOM 1448 CD1 LEU A 154 16.609 7.712 -1.159 1.00133.75 C ATOM 1449 CD2 LEU A 154 16.405 9.687 0.331 1.00101.39 C ATOM 1450 H LEU A 154 11.883 7.962 -0.243 1.00 0.00 H ATOM 1451 N LEU A 155 13.017 10.300 1.808 1.00108.10 N ATOM 1452 CA LEU A 155 13.109 11.512 2.612 1.00106.81 C ATOM 1453 C LEU A 155 12.547 11.297 4.015 1.00115.47 C ATOM 1454 O LEU A 155 13.093 11.805 4.995 1.00 97.30 O ATOM 1455 CB LEU A 155 12.370 12.663 1.927 1.00 80.47 C ATOM 1456 CG LEU A 155 12.484 14.033 2.599 1.00107.21 C ATOM 1457 CD1 LEU A 155 13.914 14.543 2.525 1.00 92.10 C ATOM 1458 CD2 LEU A 155 11.515 15.027 1.974 1.00105.43 C ATOM 1459 H LEU A 155 12.403 10.296 0.969 1.00 0.00 H ATOM 1460 N LEU A 156 11.457 10.543 4.107 1.00112.67 N ATOM 1461 CA LEU A 156 10.820 10.286 5.393 1.00110.05 C ATOM 1462 C LEU A 156 11.674 9.365 6.260 1.00113.66 C ATOM 1463 O LEU A 156 11.811 9.587 7.462 1.00111.37 O ATOM 1464 CB LEU A 156 9.422 9.696 5.200 1.00 91.90 C ATOM 1465 CG LEU A 156 8.596 9.542 6.479 1.00104.46 C ATOM 1466 CD1 LEU A 156 8.378 10.893 7.145 1.00 82.28 C ATOM 1467 CD2 LEU A 156 7.265 8.865 6.188 1.00100.14 C ATOM 1468 H LEU A 156 11.050 10.128 3.245 1.00 0.00 H ATOM 1469 N ARG A 157 12.248 8.337 5.642 1.00 99.43 N ATOM 1470 CA ARG A 157 13.152 7.427 6.339 1.00103.42 C ATOM 1471 C ARG A 157 14.350 8.201 6.879 1.00110.81 C ATOM 1472 O ARG A 157 14.841 7.926 7.974 1.00105.40 O ATOM 1473 CB ARG A 157 13.619 6.305 5.406 1.00105.94 C ATOM 1474 CG ARG A 157 13.989 5.022 6.140 1.00109.92 C ATOM 1475 CD ARG A 157 15.441 4.621 5.927 1.00138.45 C ATOM 1476 NE ARG A 157 15.694 4.172 4.561 1.00153.43 N ATOM 1477 CZ ARG A 157 16.477 4.807 3.695 1.00160.81 C ATOM 1478 NH1 ARG A 157 17.096 5.924 4.052 1.00167.81 N ATOM 1479 NH2 ARG A 157 16.646 4.319 2.473 1.00168.25 N ATOM 1480 HE ARG A 157 15.230 3.297 4.244 1.00 0.00 H ATOM 1481 HH12 ARG A 157 17.708 6.419 3.373 1.00 0.00 H ATOM 1482 HH11 ARG A 157 16.969 6.305 5.011 1.00 0.00 H ATOM 1483 HH22 ARG A 157 17.259 4.815 1.795 1.00 0.00 H ATOM 1484 HH21 ARG A 157 16.166 3.440 2.193 1.00 0.00 H ATOM 1485 H ARG A 157 12.047 8.177 4.634 1.00 0.00 H ATOM 1486 N THR A 158 14.816 9.166 6.095 1.00113.65 N ATOM 1487 CA THR A 158 15.946 10.002 6.481 1.00108.83 C ATOM 1488 C THR A 158 15.612 10.860 7.699 1.00108.72 C ATOM 1489 O THR A 158 16.410 10.970 8.631 1.00 91.19 O ATOM 1490 CB THR A 158 16.384 10.912 5.315 1.00 99.61 C ATOM 1491 OG1 THR A 158 16.966 10.113 4.278 1.00122.97 O ATOM 1492 CG2 THR A 158 17.401 11.938 5.781 1.00104.79 C ATOM 1493 HG1 THR A 158 16.298 9.458 3.953 1.00 0.00 H ATOM 1494 H THR A 158 14.360 9.331 5.175 1.00 0.00 H ATOM 1495 N GLU A 159 14.424 11.458 7.686 1.00 96.11 N ATOM 1496 CA GLU A 159 13.991 12.338 8.766 1.00107.97 C ATOM 1497 C GLU A 159 13.818 11.579 10.077 1.00113.48 C ATOM 1498 O GLU A 159 14.139 12.092 11.149 1.00116.12 O ATOM 1499 CB GLU A 159 12.688 13.046 8.391 1.00 99.64 C ATOM 1500 CG GLU A 159 12.844 14.084 7.291 1.00 96.69 C ATOM 1501 CD GLU A 159 11.735 15.117 7.300 1.00124.65 C ATOM 1502 OE1 GLU A 159 11.295 15.528 6.206 1.00139.25 O ATOM 1503 OE2 GLU A 159 11.307 15.522 8.401 1.00123.09 O ATOM 1504 H GLU A 159 13.785 11.293 6.882 1.00 0.00 H ATOM 1505 N LEU A 160 13.312 10.354 9.980 1.00106.22 N ATOM 1506 CA LEU A 160 13.102 9.510 11.150 1.00107.24 C ATOM 1507 C LEU A 160 14.420 9.045 11.762 1.00101.61 C ATOM 1508 O LEU A 160 14.543 8.938 12.982 1.00129.12 O ATOM 1509 CB LEU A 160 12.227 8.307 10.794 1.00106.80 C ATOM 1510 CG LEU A 160 10.805 8.635 10.335 1.00107.50 C ATOM 1511 CD1 LEU A 160 9.988 7.365 10.189 1.00 86.89 C ATOM 1512 CD2 LEU A 160 10.135 9.605 11.298 1.00102.95 C ATOM 1513 H LEU A 160 13.058 9.986 9.041 1.00 0.00 H ATOM 1514 N SER A 161 15.403 8.764 10.912 1.00 93.48 N ATOM 1515 CA SER A 161 16.713 8.333 11.386 1.00 98.23 C ATOM 1516 C SER A 161 17.441 9.474 12.088 1.00111.11 C ATOM 1517 O SER A 161 18.210 9.248 13.020 1.00128.69 O ATOM 1518 CB SER A 161 17.559 7.788 10.235 1.00102.94 C ATOM 1519 OG SER A 161 17.067 6.535 9.794 1.00125.89 O ATOM 1520 HG SER A 161 16.134 6.640 9.481 1.00 0.00 H ATOM 1521 H SER A 161 15.234 8.853 9.890 1.00 0.00 H ATOM 1522 N LEU A 162 17.186 10.700 11.641 1.00 94.30 N ATOM 1523 CA LEU A 162 17.781 11.877 12.262 1.00108.92 C ATOM 1524 C LEU A 162 17.033 12.206 13.548 1.00119.70 C ATOM 1525 O LEU A 162 17.530 12.944 14.399 1.00118.15 O ATOM 1526 CB LEU A 162 17.746 13.075 11.309 1.00115.81 C ATOM 1527 CG LEU A 162 18.602 12.997 10.044 1.00125.05 C ATOM 1528 CD1 LEU A 162 18.704 14.364 9.384 1.00121.79 C ATOM 1529 CD2 LEU A 162 19.986 12.450 10.360 1.00118.68 C ATOM 1530 H LEU A 162 16.547 10.822 10.829 1.00 0.00 H ATOM 1531 N LEU A 163 15.834 11.647 13.676 1.00117.87 N ATOM 1532 CA LEU A 163 15.023 11.812 14.872 1.00107.91 C ATOM 1533 C LEU A 163 15.499 10.829 15.936 1.00117.92 C ATOM 1534 O LEU A 163 15.651 11.187 17.105 1.00110.92 O ATOM 1535 CB LEU A 163 13.548 11.565 14.548 1.00122.55 C ATOM 1536 CG LEU A 163 12.681 12.789 14.240 1.00141.73 C ATOM 1537 CD1 LEU A 163 11.220 12.388 14.087 1.00138.40 C ATOM 1538 CD2 LEU A 163 12.835 13.873 15.298 1.00152.75 C ATOM 1539 H LEU A 163 15.463 11.071 12.893 1.00 0.00 H ATOM 1540 N LEU A 164 15.737 9.588 15.516 1.00105.48 N ATOM 1541 CA LEU A 164 16.238 8.541 16.404 1.00119.95 C ATOM 1542 C LEU A 164 17.602 8.876 16.997 1.00118.30 C ATOM 1543 O LEU A 164 17.909 8.488 18.124 1.00144.73 O ATOM 1544 CB LEU A 164 16.315 7.205 15.662 1.00125.99 C ATOM 1545 CG LEU A 164 14.987 6.506 15.373 1.00126.27 C ATOM 1546 CD1 LEU A 164 15.180 5.376 14.373 1.00119.60 C ATOM 1547 CD2 LEU A 164 14.392 5.985 16.670 1.00125.06 C ATOM 1548 H LEU A 164 15.560 9.355 14.518 1.00 0.00 H ATOM 1549 N GLN A 165 18.420 9.596 16.236 1.00133.11 N ATOM 1550 CA GLN A 165 19.758 9.951 16.692 1.00137.93 C ATOM 1551 C GLN A 165 19.807 11.412 17.124 1.00138.03 C ATOM 1552 O GLN A 165 20.879 11.960 17.387 1.00157.44 O ATOM 1553 CB GLN A 165 20.801 9.658 15.609 1.00126.27 C ATOM 1554 CG GLN A 165 20.708 10.559 14.389 1.00136.73 C ATOM 1555 CD GLN A 165 21.500 10.029 13.206 1.00147.38 C ATOM 1556 OE1 GLN A 165 21.380 8.859 12.838 1.00146.09 O ATOM 1557 NE2 GLN A 165 22.309 10.891 12.599 1.00133.01 N ATOM 1558 HE22 GLN A 165 22.379 11.870 12.944 1.00 0.00 H ATOM 1559 HE21 GLN A 165 22.872 10.587 11.779 1.00 0.00 H ATOM 1560 H GLN A 165 18.100 9.912 15.298 1.00 0.00 H ATOM 1561 N ASN A 166 18.627 12.023 17.201 1.00119.48 N ATOM 1562 CA ASN A 166 18.459 13.378 17.718 1.00136.07 C ATOM 1563 C ASN A 166 19.371 14.408 17.054 1.00142.33 C ATOM 1564 O ASN A 166 20.140 15.091 17.730 1.00136.46 O ATOM 1565 CB ASN A 166 18.654 13.390 19.238 1.00161.14 C ATOM 1566 CG ASN A 166 17.935 14.541 19.910 1.00170.96 C ATOM 1567 OD1 ASN A 166 17.749 15.605 19.320 1.00178.07 O ATOM 1568 ND2 ASN A 166 17.525 14.333 21.155 1.00172.35 N ATOM 1569 HD22 ASN A 166 17.704 13.418 21.615 1.00 0.00 H ATOM 1570 HD21 ASN A 166 17.025 15.085 21.670 1.00 0.00 H ATOM 1571 H ASN A 166 17.783 11.510 16.877 1.00 0.00 H ATOM 1572 N THR A 167 19.281 14.515 15.732 1.00149.59 N ATOM 1573 CA THR A 167 20.094 15.468 14.979 1.00149.44 C ATOM 1574 C THR A 167 19.285 16.258 13.950 1.00135.46 C ATOM 1575 O THR A 167 19.812 17.166 13.306 1.00124.16 O ATOM 1576 CB THR A 167 21.273 14.773 14.266 1.00159.79 C ATOM 1577 OG1 THR A 167 20.778 13.716 13.433 1.00166.95 O ATOM 1578 CG2 THR A 167 22.248 14.199 15.285 1.00157.25 C ATOM 1579 HG1 THR A 167 21.537 13.273 12.978 1.00 0.00 H ATOM 1580 H THR A 167 18.614 13.904 15.219 1.00 0.00 H ATOM 1581 N HIS A 168 18.016 15.889 13.792 1.00123.39 N ATOM 1582 CA HIS A 168 17.094 16.573 12.888 1.00110.90 C ATOM 1583 C HIS A 168 17.096 18.083 13.120 1.00122.21 C ATOM 1584 O HIS A 168 16.986 18.536 14.260 1.00147.41 O ATOM 1585 CB HIS A 168 15.680 16.011 13.066 1.00117.27 C ATOM 1586 CG HIS A 168 14.764 16.296 11.917 1.00128.59 C ATOM 1587 ND1 HIS A 168 14.302 17.562 11.629 1.00119.51 N ATOM 1588 CD2 HIS A 168 14.232 15.479 10.978 1.00107.29 C ATOM 1589 CE1 HIS A 168 13.521 17.512 10.565 1.00114.26 C ATOM 1590 NE2 HIS A 168 13.462 16.260 10.150 1.00127.75 N ATOM 1591 H HIS A 168 17.664 15.076 14.337 1.00 0.00 H ATOM 1592 N PRO A 169 17.225 18.865 12.034 1.00129.63 N ATOM 1593 CA PRO A 169 17.333 20.330 12.122 1.00132.51 C ATOM 1594 C PRO A 169 16.081 20.976 12.714 1.00145.04 C ATOM 1595 O PRO A 169 16.139 22.094 13.230 1.00164.45 O ATOM 1596 CB PRO A 169 17.533 20.775 10.667 1.00130.86 C ATOM 1597 CG PRO A 169 17.250 19.592 9.818 1.00124.62 C ATOM 1598 CD PRO A 169 17.319 18.359 10.653 1.00128.76 C ATOM 1599 N ARG A 170 14.962 20.266 12.639 1.00143.10 N ATOM 1600 CA ARG A 170 13.736 20.703 13.289 1.00152.72 C ATOM 1601 C ARG A 170 13.198 19.579 14.162 1.00152.48 C ATOM 1602 O ARG A 170 12.073 19.114 13.983 1.00136.03 O ATOM 1603 CB ARG A 170 12.693 21.131 12.260 1.00156.94 C ATOM 1604 CG ARG A 170 13.032 22.419 11.539 1.00171.97 C ATOM 1605 CD ARG A 170 11.919 22.811 10.595 1.00186.02 C ATOM 1606 NE ARG A 170 11.488 21.669 9.796 1.00218.14 N ATOM 1607 CZ ARG A 170 11.996 21.361 8.609 1.00237.29 C ATOM 1608 NH1 ARG A 170 12.954 22.113 8.085 1.00242.96 N ATOM 1609 NH2 ARG A 170 11.549 20.304 7.944 1.00237.83 N ATOM 1610 HE ARG A 170 10.738 21.060 10.180 1.00 0.00 H ATOM 1611 HH12 ARG A 170 13.353 21.873 7.155 1.00 0.00 H ATOM 1612 HH11 ARG A 170 13.306 22.943 8.604 1.00 0.00 H ATOM 1613 HH22 ARG A 170 11.950 20.067 7.014 1.00 0.00 H ATOM 1614 HH21 ARG A 170 10.797 19.712 8.352 1.00 0.00 H ATOM 1615 H ARG A 170 14.962 19.375 12.102 1.00 0.00 H ATOM 1616 N GLN A 171 14.024 19.152 15.110 1.00153.90 N ATOM 1617 CA GLN A 171 13.670 18.092 16.041 1.00142.29 C ATOM 1618 C GLN A 171 12.623 18.599 17.022 1.00157.43 C ATOM 1619 O GLN A 171 11.772 17.843 17.493 1.00145.29 O ATOM 1620 CB GLN A 171 14.916 17.630 16.797 1.00127.43 C ATOM 1621 CG GLN A 171 14.711 16.408 17.672 1.00115.83 C ATOM 1622 CD GLN A 171 15.426 15.185 17.136 1.00134.21 C ATOM 1623 OE1 GLN A 171 16.241 15.279 16.219 1.00155.34 O ATOM 1624 NE2 GLN A 171 15.127 14.026 17.712 1.00127.83 N ATOM 1625 HE22 GLN A 171 14.431 13.993 18.484 1.00 0.00 H ATOM 1626 HE21 GLN A 171 15.588 13.151 17.390 1.00 0.00 H ATOM 1627 H GLN A 171 14.962 19.593 15.190 1.00 0.00 H ATOM 1628 N GLN A 172 12.691 19.893 17.319 1.00176.60 N ATOM 1629 CA GLN A 172 11.795 20.511 18.286 1.00187.33 C ATOM 1630 C GLN A 172 10.475 20.954 17.652 1.00172.92 C ATOM 1631 O GLN A 172 9.860 21.922 18.098 1.00187.76 O ATOM 1632 CB GLN A 172 12.483 21.705 18.954 1.00207.69 C ATOM 1633 CG GLN A 172 13.591 21.336 19.934 1.00213.95 C ATOM 1634 CD GLN A 172 13.093 20.563 21.140 1.00209.77 C ATOM 1635 OE1 GLN A 172 12.865 19.354 21.070 1.00209.87 O ATOM 1636 NE2 GLN A 172 12.929 21.257 22.260 1.00202.14 N ATOM 1637 HE22 GLN A 172 13.133 22.277 22.275 1.00 0.00 H ATOM 1638 HE21 GLN A 172 12.596 20.781 23.123 1.00 0.00 H ATOM 1639 H GLN A 172 13.406 20.482 16.846 1.00 0.00 H ATOM 1640 N ALA A 173 10.045 20.241 16.615 1.00153.86 N ATOM 1641 CA ALA A 173 8.749 20.493 15.992 1.00152.43 C ATOM 1642 C ALA A 173 8.102 19.189 15.537 1.00162.56 C ATOM 1643 O ALA A 173 6.878 19.052 15.545 1.00170.09 O ATOM 1644 CB ALA A 173 8.904 21.440 14.815 1.00127.62 C ATOM 1645 H ALA A 173 10.649 19.483 16.237 1.00 0.00 H ATOM 1646 N LEU A 174 8.939 18.238 15.138 1.00157.35 N ATOM 1647 CA LEU A 174 8.483 16.940 14.649 1.00153.02 C ATOM 1648 C LEU A 174 8.072 16.021 15.791 1.00161.08 C ATOM 1649 O LEU A 174 7.307 15.076 15.598 1.00167.82 O ATOM 1650 CB LEU A 174 9.558 16.274 13.789 1.00145.16 C ATOM 1651 CG LEU A 174 9.319 16.321 12.278 1.00146.74 C ATOM 1652 CD1 LEU A 174 9.168 17.756 11.793 1.00145.93 C ATOM 1653 CD2 LEU A 174 10.444 15.615 11.539 1.00149.02 C ATOM 1654 H LEU A 174 9.961 18.426 15.175 1.00 0.00 H ATOM 1655 N GLU A 175 8.586 16.306 16.983 1.00158.00 N ATOM 1656 CA GLU A 175 8.285 15.508 18.166 1.00165.96 C ATOM 1657 C GLU A 175 6.862 15.769 18.659 1.00183.65 C ATOM 1658 O GLU A 175 6.422 15.197 19.657 1.00189.71 O ATOM 1659 CB GLU A 175 9.302 15.783 19.274 1.00167.19 C ATOM 1660 CG GLU A 175 10.363 14.704 19.418 1.00173.99 C ATOM 1661 CD GLU A 175 11.461 15.088 20.391 1.00181.01 C ATOM 1662 OE1 GLU A 175 11.570 16.287 20.720 1.00174.37 O ATOM 1663 OE2 GLU A 175 12.219 14.192 20.818 1.00186.56 O ATOM 1664 H GLU A 175 9.223 17.123 17.075 1.00 0.00 H ATOM 1665 N GLN A 176 6.154 16.641 17.948 1.00186.99 N ATOM 1666 CA GLN A 176 4.748 16.918 18.210 1.00189.53 C ATOM 1667 C GLN A 176 3.888 15.952 17.397 1.00176.60 C ATOM 1668 O GLN A 176 2.758 16.268 17.026 1.00172.05 O ATOM 1669 CB GLN A 176 4.407 18.365 17.850 1.00200.11 C ATOM 1670 CG GLN A 176 5.021 19.407 18.775 1.00206.72 C ATOM 1671 CD GLN A 176 4.336 19.471 20.126 1.00213.76 C ATOM 1672 OE1 GLN A 176 3.305 18.835 20.344 1.00213.46 O ATOM 1673 NE2 GLN A 176 4.907 20.245 21.042 1.00221.72 N ATOM 1674 HE22 GLN A 176 5.778 20.765 20.814 1.00 0.00 H ATOM 1675 HE21 GLN A 176 4.483 20.331 21.988 1.00 0.00 H ATOM 1676 H GLN A 176 6.624 17.147 17.171 1.00 0.00 H ATOM 1677 N LEU A 177 4.442 14.774 17.122 1.00173.01 N ATOM 1678 CA LEU A 177 3.742 13.724 16.391 1.00157.75 C ATOM 1679 C LEU A 177 4.072 12.353 16.972 1.00152.23 C ATOM 1680 O LEU A 177 4.747 12.249 17.996 1.00151.48 O ATOM 1681 CB LEU A 177 4.113 13.743 14.903 1.00146.76 C ATOM 1682 CG LEU A 177 3.641 14.854 13.961 1.00150.60 C ATOM 1683 CD1 LEU A 177 4.484 16.114 14.095 1.00151.37 C ATOM 1684 CD2 LEU A 177 3.662 14.351 12.526 1.00142.93 C ATOM 1685 H LEU A 177 5.415 14.594 17.442 1.00 0.00 H TER 1686 LEU A 177 HETATM 1687 O HOH 1 18.811 17.247 18.216 1.00155.26 O HETATM 1688 O HOH 2 -0.319 -16.415 5.623 1.00145.49 O HETATM 1689 O HOH 3 -0.577 1.433 14.528 1.00155.04 O HETATM 1690 O HOH 4 11.346 3.082 28.245 1.00128.42 O HETATM 1691 O HOH 5 7.596 0.424 22.570 1.00121.89 O HETATM 1692 O HOH 6 6.328 0.978 26.042 1.00 95.61 O HETATM 1693 O HOH 7 0.777 14.157 5.532 1.00120.44 O HETATM 1694 O HOH 8 23.224 13.742 -8.082 1.00188.15 O HETATM 1695 O HOH 9 18.235 -3.591 -10.581 1.00153.97 O HETATM 1696 O HOH 10 -1.426 -2.716 11.799 1.00117.12 O HETATM 1697 O HOH 11 15.845 -6.462 -11.603 1.00165.97 O HETATM 1698 O HOH 12 16.212 -9.525 -21.372 1.00127.16 O HETATM 1699 O HOH 13 -4.323 16.428 18.153 1.00142.03 O HETATM 1700 O HOH 14 8.392 -2.525 9.614 1.00124.34 O HETATM 1701 O HOH 15 -5.143 0.960 1.818 1.00142.51 O HETATM 1702 O HOH 16 12.873 18.369 7.623 1.00 95.44 O HETATM 1703 O HOH 17 -1.671 2.902 -21.787 1.00129.64 O HETATM 1704 O HOH 18 -0.699 16.449 -1.899 1.00109.63 O HETATM 1705 O HOH 19 6.389 7.414 -18.108 1.00121.03 O HETATM 1706 O HOH 20 0.020 5.431 3.942 1.00118.93 O HETATM 1707 O HOH 21 19.625 8.259 3.412 1.00104.54 O HETATM 1708 O HOH 22 9.006 2.437 -17.843 1.00114.70 O HETATM 1709 O HOH 23 10.971 34.619 2.302 1.00145.53 O HETATM 1710 O HOH 24 18.780 3.938 -0.514 1.00133.27 O HETATM 1711 O HOH 25 19.783 6.085 -0.511 1.00144.96 O HETATM 1712 O HOH 26 -3.376 0.678 4.878 1.00 99.96 O HETATM 1713 O HOH 27 0.527 16.720 1.411 1.00151.41 O HETATM 1714 O HOH 28 5.414 36.497 -4.094 1.00154.04 O HETATM 1715 O HOH 29 20.934 3.948 -16.081 1.00140.56 O HETATM 1716 O HOH 30 0.772 7.422 2.234 1.00 95.66 O HETATM 1717 O HOH 31 3.416 -0.435 13.918 1.00105.83 O HETATM 1718 O HOH 32 -1.706 8.120 0.515 1.00 99.24 O HETATM 1719 O HOH 33 8.007 -2.633 -7.222 1.00 92.56 O HETATM 1720 N ASP A 34 10.638 -12.890 -3.864 1.00 0.24 N HETATM 1721 CA ASP A 34 11.061 -12.151 -2.683 1.00 0.08 C HETATM 1722 C ASP A 34 10.050 -11.071 -2.315 1.00 0.23 C HETATM 1723 O ASP A 34 9.292 -11.222 -1.358 1.00 -0.39 O HETATM 1724 N ASP A 34 10.041 -9.981 -3.077 1.00 -0.26 N HETATM 1725 CA ASP A 34 9.232 -8.817 -2.729 1.00 0.13 C HETATM 1726 C ASP A 34 7.905 -8.776 -3.485 1.00 0.20 C HETATM 1727 O ASP A 34 7.113 -7.850 -3.309 1.00 -0.39 O HETATM 1728 N ASP A 34 7.662 -9.784 -4.317 1.00 -0.26 N HETATM 1729 CA ASP A 34 6.474 -9.810 -5.171 1.00 0.14 C HETATM 1730 C ASP A 34 5.689 -11.110 -5.036 1.00 0.21 C HETATM 1731 O ASP A 34 4.485 -11.145 -5.288 1.00 -0.39 O HETATM 1732 N ASP A 34 6.390 -12.180 -4.670 1.00 -0.27 N HETATM 1733 CA ASP A 34 5.780 -13.495 -4.487 1.00 0.12 C HETATM 1734 C ASP A 34 4.712 -13.481 -3.395 1.00 0.21 C HETATM 1735 O ASP A 34 4.346 -14.526 -2.856 1.00 -0.41 O HETATM 1736 O1 ASP A 34 4.199 -12.386 -3.041 1.00 -0.41 O HETATM 1737 CB ASP A 34 6.852 -14.532 -4.147 1.00 -0.03 C HETATM 1738 H ASP A 34 6.380 -15.516 -4.012 1.00 0.03 H HETATM 1739 H ASP A 34 7.363 -14.240 -3.218 1.00 0.03 H HETATM 1740 H ASP A 34 7.583 -14.585 -4.967 1.00 0.03 H HETATM 1741 H ASP A 34 5.300 -13.785 -5.434 1.00 0.07 H HETATM 1742 H ASP A 34 7.373 -12.080 -4.514 1.00 0.19 H HETATM 1743 CB ASP A 34 6.839 -9.546 -6.635 1.00 0.02 C HETATM 1744 CG ASP A 34 7.496 -8.207 -6.863 1.00 -0.05 C HETATM 1745 CD1 ASP A 34 6.732 -7.063 -7.050 1.00 -0.07 C HETATM 1746 CE1 ASP A 34 7.323 -5.834 -7.257 1.00 -0.04 C HETATM 1747 CZ ASP A 34 8.696 -5.735 -7.276 1.00 0.08 C HETATM 1748 CE2 ASP A 34 9.481 -6.854 -7.090 1.00 -0.04 C HETATM 1749 CD2 ASP A 34 8.880 -8.082 -6.883 1.00 -0.07 C HETATM 1750 H ASP A 34 9.498 -8.960 -6.734 1.00 0.05 H HETATM 1751 H ASP A 34 10.562 -6.771 -7.106 1.00 0.05 H HETATM 1752 OH ASP A 34 9.278 -4.507 -7.483 1.00 -0.34 O HETATM 1753 H ASP A 34 8.600 -3.851 -7.592 1.00 0.25 H HETATM 1754 H ASP A 34 6.710 -4.952 -7.404 1.00 0.05 H HETATM 1755 H ASP A 34 5.651 -7.137 -7.033 1.00 0.05 H HETATM 1756 H ASP A 34 5.918 -9.588 -7.236 1.00 0.05 H HETATM 1757 H ASP A 34 7.531 -10.334 -6.968 1.00 0.05 H HETATM 1758 H ASP A 34 5.816 -8.993 -4.840 1.00 0.08 H HETATM 1759 H ASP A 34 8.309 -10.545 -4.360 1.00 0.19 H HETATM 1760 CB ASP A 34 10.012 -7.528 -2.993 1.00 -0.00 C HETATM 1761 CG ASP A 34 11.358 -7.449 -2.295 1.00 -0.00 C HETATM 1762 SD ASP A 34 12.241 -5.937 -2.720 1.00 -0.16 S HETATM 1763 CE ASP A 34 10.991 -4.708 -2.351 1.00 -0.02 C HETATM 1764 H ASP A 34 11.389 -3.705 -2.565 1.00 0.03 H HETATM 1765 H ASP A 34 10.714 -4.774 -1.288 1.00 0.03 H HETATM 1766 H ASP A 34 10.102 -4.890 -2.973 1.00 0.03 H HETATM 1767 H ASP A 34 11.967 -8.314 -2.596 1.00 0.04 H HETATM 1768 H ASP A 34 11.197 -7.474 -1.207 1.00 0.04 H HETATM 1769 H ASP A 34 9.399 -6.680 -2.653 1.00 0.03 H HETATM 1770 H ASP A 34 10.182 -7.446 -4.077 1.00 0.03 H HETATM 1771 H ASP A 34 9.008 -8.873 -1.654 1.00 0.08 H HETATM 1772 H ASP A 34 10.600 -9.958 -3.906 1.00 0.19 H HETATM 1773 CB ASP A 34 12.444 -11.532 -2.896 1.00 0.06 C HETATM 1774 CG ASP A 34 13.559 -12.388 -2.326 1.00 0.04 C HETATM 1775 OD1 ASP A 34 13.339 -13.603 -2.128 1.00 -0.57 O HETATM 1776 OD2 ASP A 34 14.656 -11.847 -2.071 1.00 -0.57 O HETATM 1777 H ASP A 34 12.469 -10.548 -2.405 1.00 0.05 H HETATM 1778 H ASP A 34 12.612 -11.408 -3.976 1.00 0.05 H HETATM 1779 H ASP A 34 11.127 -12.859 -1.844 1.00 0.11 H HETATM 1780 H ASP A 34 11.324 -13.595 -4.083 1.00 0.20 H HETATM 1781 H ASP A 34 10.548 -12.256 -4.643 1.00 0.20 H HETATM 1782 H ASP A 34 9.749 -13.330 -3.684 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1241 1242 1249 1250 1251 CONECT 1249 1241 CONECT 1250 1241 CONECT 1251 1241 CONECT 1720 1721 1780 1781 1782 CONECT 1721 1720 1722 1773 1779 CONECT 1722 1721 1723 1724 CONECT 1723 1722 CONECT 1724 1722 1725 1772 CONECT 1725 1724 1726 1760 1771 CONECT 1726 1725 1727 1728 CONECT 1727 1726 CONECT 1728 1726 1729 1759 CONECT 1729 1728 1730 1743 1758 CONECT 1730 1729 1731 1732 CONECT 1731 1730 CONECT 1732 1730 1733 1742 CONECT 1733 1732 1734 1737 1741 CONECT 1734 1733 1735 1736 CONECT 1735 1734 CONECT 1736 1734 CONECT 1737 1733 1738 1739 1740 CONECT 1738 1737 CONECT 1739 1737 CONECT 1740 1737 CONECT 1741 1733 CONECT 1742 1732 CONECT 1743 1729 1744 1756 1757 CONECT 1744 1743 1745 1749 CONECT 1745 1744 1746 1755 CONECT 1746 1745 1747 1754 CONECT 1747 1746 1748 1752 CONECT 1748 1747 1749 1751 CONECT 1749 1744 1748 1750 CONECT 1750 1749 CONECT 1751 1748 CONECT 1752 1747 1753 CONECT 1753 1752 CONECT 1754 1746 CONECT 1755 1745 CONECT 1756 1743 CONECT 1757 1743 CONECT 1758 1729 CONECT 1759 1728 CONECT 1760 1725 1761 1769 1770 CONECT 1761 1760 1762 1767 1768 CONECT 1762 1761 1763 CONECT 1763 1762 1764 1765 1766 CONECT 1764 1763 CONECT 1765 1763 CONECT 1766 1763 CONECT 1767 1761 CONECT 1768 1761 CONECT 1769 1760 CONECT 1770 1760 CONECT 1771 1725 CONECT 1772 1724 CONECT 1773 1721 1774 1777 1778 CONECT 1774 1773 1775 1776 CONECT 1775 1774 CONECT 1776 1774 CONECT 1777 1773 CONECT 1778 1773 CONECT 1779 1721 CONECT 1780 1720 CONECT 1781 1720 CONECT 1782 1720 MASTER 0 0 0 0 0 0 0 0 1780 2 71 14 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4p0b
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4p0a
RCSB PDB
PDBbind
184aa, >4P0A_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4p0b
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase RNF31 HOIP PUB Domain
Ligand Name
10-mer
EC.Number
E.C.6.3.2
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=0.29uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Mol.Cell Vol. 54: pp. 349-361
Ligand Properties
Formula
C
2
1
H
3
1
N
4
O
8
S
Molecular Weight
499.558
Exact Mass
499.186
No. of atoms
65
No. of bonds
65
Polar Surface Area
235.07
LOGP Value
-0.43 (
Computed with XLOGP3
)
-0.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 1
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)NC(=O)[C@H](CC(=O)O)[NH3+]
InChI String
InChI=1S/C21H30N4O8S/c1-11(21(32)33)23-20(31)16(9-12-3-5-13(26)6-4-12)25-19(30)15(7-8-34-2)24-18(29)14(22)10-17(27)28/h3-6,11,14-16,26H,7-10,22H2,1-2H3,(H,23,31)(H,24,29)(H,25,30)(H,27,28)(H,32,33)/p+1/t11-,14-,15-,16-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q96EP0
Q96BN8
Entrez Gene ID
NCBI Entrez Gene ID:
55072
90268
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com