Browse entries in the PDBbind-CN Database
HEADER 4U01_COMPLEX COMPND 4U01_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 182 ALA PRO ILE THR ALA TYR SER GLN GLN THR ARG GLY LEU SEQRES 2 A 182 LEU GLY CYS ILE ILE THR SER LEU THR GLY ARG ASP ARG SEQRES 3 A 182 ASN GLN VAL GLU GLY GLU VAL GLN VAL VAL SER THR ALA SEQRES 4 A 182 THR GLN SER PHE LEU ALA THR CYS VAL ASN GLY VAL CYS SEQRES 5 A 182 TRP THR VAL TYR HIS GLY ALA GLY SER LYS THR LEU ALA SEQRES 6 A 182 GLY PRO LYS GLY PRO ILE THR GLN MET TYR THR ASN VAL SEQRES 7 A 182 ASP GLN ASP LEU VAL GLY TRP GLN ALA PRO PRO GLY ALA SEQRES 8 A 182 ARG SER LEU THR PRO CYS THR CYS GLY SER SER ASP LEU SEQRES 9 A 182 TYR LEU VAL THR ARG HIS ALA ASP VAL ILE PRO VAL ARG SEQRES 10 A 182 ARG ARG GLY ASP SER ARG GLY SER LEU LEU SER PRO ARG SEQRES 11 A 182 PRO VAL SER TYR LEU LYS GLY SER SER GLY GLY PRO LEU SEQRES 12 A 182 LEU CYS PRO SER GLY HIS ALA VAL GLY ILE PHE ARG ALA SEQRES 13 A 182 ALA VAL CYS THR ARG GLY VAL ALA LYS ALA VAL ASP PHE SEQRES 14 A 182 VAL PRO VAL GLU SER MET GLU THR THR MET ARG ALA SER HET ZN A 1 1 HET UNN A 184 98 ATOM 1 N ALA A 1 51.412 6.857 -38.669 1.00130.25 N ATOM 2 CA ALA A 1 52.829 7.312 -38.461 1.00124.05 C ATOM 3 C ALA A 1 53.797 6.599 -39.421 1.00126.92 C ATOM 4 O ALA A 1 53.599 5.416 -39.730 1.00132.58 O ATOM 5 CB ALA A 1 53.259 7.091 -37.001 1.00118.82 C ATOM 6 HN3 ALA A 1 51.350 5.833 -38.500 1.00 0.00 H ATOM 7 HN2 ALA A 1 51.122 7.066 -39.645 1.00 0.00 H ATOM 8 HN1 ALA A 1 50.787 7.358 -38.005 1.00 0.00 H ATOM 9 N PRO A 2 54.823 7.324 -39.931 1.00123.31 N ATOM 10 CA PRO A 2 55.912 6.667 -40.647 1.00124.51 C ATOM 11 C PRO A 2 57.110 6.429 -39.723 1.00118.38 C ATOM 12 O PRO A 2 58.130 5.891 -40.155 1.00119.26 O ATOM 13 CB PRO A 2 56.259 7.688 -41.730 1.00125.17 C ATOM 14 CG PRO A 2 55.968 9.028 -41.085 1.00119.65 C ATOM 15 CD PRO A 2 55.015 8.787 -39.922 1.00118.58 C ATOM 16 N ILE A 3 56.966 6.825 -38.460 1.00111.99 N ATOM 17 CA ILE A 3 58.027 6.745 -37.481 1.00106.33 C ATOM 18 C ILE A 3 57.542 5.836 -36.366 1.00105.63 C ATOM 19 O ILE A 3 56.360 5.834 -36.041 1.00106.70 O ATOM 20 CB ILE A 3 58.344 8.139 -36.906 1.00100.10 C ATOM 21 CG1 ILE A 3 58.592 9.146 -38.035 1.00100.08 C ATOM 22 CG2 ILE A 3 59.557 8.073 -35.992 1.00 96.19 C ATOM 23 CD1 ILE A 3 58.345 10.567 -37.632 1.00 96.52 C ATOM 24 H ILE A 3 56.047 7.210 -38.164 1.00 0.00 H ATOM 25 N THR A 4 58.455 5.059 -35.795 1.00104.14 N ATOM 26 CA THR A 4 58.147 4.204 -34.650 1.00103.65 C ATOM 27 C THR A 4 59.146 4.474 -33.537 1.00 96.95 C ATOM 28 O THR A 4 60.211 5.037 -33.780 1.00 93.68 O ATOM 29 CB THR A 4 58.196 2.706 -35.022 1.00110.08 C ATOM 30 OG1 THR A 4 59.522 2.344 -35.432 1.00111.16 O ATOM 31 CG2 THR A 4 57.217 2.400 -36.139 1.00116.51 C ATOM 32 HG1 THR A 4 59.542 1.383 -35.668 1.00 0.00 H ATOM 33 H THR A 4 59.423 5.059 -36.176 1.00 0.00 H ATOM 34 N ALA A 5 58.802 4.067 -32.321 1.00 94.94 N ATOM 35 CA ALA A 5 59.700 4.240 -31.186 1.00 89.96 C ATOM 36 C ALA A 5 59.479 3.173 -30.128 1.00 91.11 C ATOM 37 O ALA A 5 58.369 2.660 -29.982 1.00 94.98 O ATOM 38 CB ALA A 5 59.519 5.616 -30.581 1.00 84.47 C ATOM 39 H ALA A 5 57.876 3.617 -32.176 1.00 0.00 H ATOM 40 N TYR A 6 60.546 2.841 -29.405 1.00 88.58 N ATOM 41 CA TYR A 6 60.462 1.944 -28.254 1.00 89.57 C ATOM 42 C TYR A 6 61.358 2.417 -27.111 1.00 84.02 C ATOM 43 O TYR A 6 62.360 3.088 -27.347 1.00 80.61 O ATOM 44 CB TYR A 6 60.789 0.505 -28.663 1.00 96.14 C ATOM 45 CG TYR A 6 62.239 0.202 -29.009 1.00 96.52 C ATOM 46 CD1 TYR A 6 62.645 0.054 -30.337 1.00 99.45 C ATOM 47 CD2 TYR A 6 63.189 0.007 -28.008 1.00 94.72 C ATOM 48 CE1 TYR A 6 63.961 -0.251 -30.657 1.00 99.73 C ATOM 49 CE2 TYR A 6 64.505 -0.298 -28.316 1.00 95.73 C ATOM 50 CZ TYR A 6 64.889 -0.426 -29.641 1.00 98.47 C ATOM 51 OH TYR A 6 66.203 -0.728 -29.937 1.00 98.84 O ATOM 52 HH TYR A 6 66.314 -0.784 -30.919 1.00 0.00 H ATOM 53 H TYR A 6 61.472 3.234 -29.668 1.00 0.00 H ATOM 54 N SER A 7 60.985 2.075 -25.878 1.00 83.30 N ATOM 55 CA SER A 7 61.691 2.566 -24.689 1.00 78.78 C ATOM 56 C SER A 7 62.443 1.460 -23.941 1.00 80.71 C ATOM 57 O SER A 7 62.117 0.286 -24.067 1.00 85.03 O ATOM 58 CB SER A 7 60.719 3.277 -23.740 1.00 76.35 C ATOM 59 OG SER A 7 59.750 2.388 -23.220 1.00 78.79 O ATOM 60 HG SER A 7 59.143 2.882 -22.614 1.00 0.00 H ATOM 61 H SER A 7 60.169 1.441 -25.755 1.00 0.00 H ATOM 62 N GLN A 8 63.464 1.854 -23.179 1.00 77.46 N ATOM 63 CA GLN A 8 64.240 0.928 -22.350 1.00 79.35 C ATOM 64 C GLN A 8 64.641 1.605 -21.047 1.00 75.04 C ATOM 65 O GLN A 8 65.359 2.595 -21.059 1.00 70.47 O ATOM 66 CB GLN A 8 65.514 0.475 -23.067 1.00 80.90 C ATOM 67 CG GLN A 8 65.300 -0.306 -24.351 1.00 85.87 C ATOM 68 CD GLN A 8 66.601 -0.837 -24.941 1.00 88.08 C ATOM 69 OE1 GLN A 8 66.591 -1.668 -25.858 1.00 94.73 O ATOM 70 NE2 GLN A 8 67.727 -0.367 -24.417 1.00 84.23 N ATOM 71 HE22 GLN A 8 67.691 0.331 -23.647 1.00 0.00 H ATOM 72 HE21 GLN A 8 68.645 -0.697 -24.777 1.00 0.00 H ATOM 73 H GLN A 8 63.720 2.862 -23.173 1.00 0.00 H ATOM 74 N GLN A 9 64.186 1.060 -19.927 1.00 77.07 N ATOM 75 CA GLN A 9 64.547 1.584 -18.617 1.00 74.41 C ATOM 76 C GLN A 9 65.927 1.062 -18.244 1.00 74.16 C ATOM 77 O GLN A 9 66.147 -0.138 -18.199 1.00 77.84 O ATOM 78 CB GLN A 9 63.512 1.149 -17.587 1.00 77.22 C ATOM 79 CG GLN A 9 63.653 1.762 -16.198 1.00 75.44 C ATOM 80 CD GLN A 9 62.964 0.900 -15.150 1.00 80.73 C ATOM 81 OE1 GLN A 9 63.477 0.694 -14.050 1.00 83.55 O ATOM 82 NE2 GLN A 9 61.808 0.361 -15.508 1.00 85.11 N ATOM 83 HE22 GLN A 9 61.410 0.561 -16.448 1.00 0.00 H ATOM 84 HE21 GLN A 9 61.299 -0.262 -14.849 1.00 0.00 H ATOM 85 H GLN A 9 63.554 0.236 -19.986 1.00 0.00 H ATOM 86 N THR A 10 66.849 1.978 -17.972 1.00 70.45 N ATOM 87 CA THR A 10 68.250 1.626 -17.724 1.00 71.37 C ATOM 88 C THR A 10 68.673 1.727 -16.252 1.00 70.51 C ATOM 89 O THR A 10 69.651 1.098 -15.848 1.00 71.96 O ATOM 90 CB THR A 10 69.210 2.469 -18.624 1.00 68.48 C ATOM 91 OG1 THR A 10 69.008 3.871 -18.420 1.00 61.20 O ATOM 92 CG2 THR A 10 68.956 2.153 -20.090 1.00 71.46 C ATOM 93 HG1 THR A 10 69.627 4.380 -19.001 1.00 0.00 H ATOM 94 H THR A 10 66.568 2.978 -17.934 1.00 0.00 H ATOM 95 N ARG A 11 67.938 2.509 -15.463 1.00 68.18 N ATOM 96 CA ARG A 11 68.197 2.640 -14.031 1.00 68.86 C ATOM 97 C ARG A 11 66.939 2.454 -13.201 1.00 69.43 C ATOM 98 O ARG A 11 65.833 2.730 -13.658 1.00 67.99 O ATOM 99 CB ARG A 11 68.766 4.021 -13.703 1.00 65.32 C ATOM 100 CG ARG A 11 70.182 4.248 -14.137 1.00 64.77 C ATOM 101 CD ARG A 11 70.662 5.617 -13.670 1.00 62.31 C ATOM 102 NE ARG A 11 72.083 5.821 -13.952 1.00 62.85 N ATOM 103 CZ ARG A 11 73.072 5.239 -13.278 1.00 67.55 C ATOM 104 NH1 ARG A 11 72.827 4.409 -12.266 1.00 73.48 N ATOM 105 NH2 ARG A 11 74.323 5.478 -13.616 1.00 67.74 N ATOM 106 HE ARG A 11 72.337 6.463 -14.730 1.00 0.00 H ATOM 107 HH12 ARG A 11 73.616 3.966 -11.754 1.00 0.00 H ATOM 108 HH11 ARG A 11 71.846 4.204 -11.988 1.00 0.00 H ATOM 109 HH22 ARG A 11 75.099 5.025 -13.092 1.00 0.00 H ATOM 110 HH21 ARG A 11 74.535 6.119 -14.407 1.00 0.00 H ATOM 111 H ARG A 11 67.151 3.046 -15.881 1.00 0.00 H ATOM 112 N GLY A 12 67.144 2.005 -11.967 1.00 71.85 N ATOM 113 CA GLY A 12 66.105 1.964 -10.950 1.00 73.67 C ATOM 114 C GLY A 12 66.190 3.163 -10.025 1.00 70.57 C ATOM 115 O GLY A 12 67.033 4.047 -10.204 1.00 67.16 O ATOM 116 H GLY A 12 68.095 1.666 -11.716 1.00 0.00 H ATOM 117 N LEU A 13 65.318 3.165 -9.021 1.00 72.34 N ATOM 118 CA LEU A 13 65.166 4.273 -8.079 1.00 70.52 C ATOM 119 C LEU A 13 66.423 4.540 -7.254 1.00 70.54 C ATOM 120 O LEU A 13 66.885 5.670 -7.160 1.00 67.17 O ATOM 121 CB LEU A 13 64.022 3.962 -7.108 1.00 74.50 C ATOM 122 CG LEU A 13 63.177 5.097 -6.522 1.00 72.95 C ATOM 123 CD1 LEU A 13 62.738 4.690 -5.124 1.00 77.84 C ATOM 124 CD2 LEU A 13 63.872 6.447 -6.482 1.00 68.75 C ATOM 125 H LEU A 13 64.709 2.331 -8.899 1.00 0.00 H ATOM 126 N LEU A 14 66.966 3.496 -6.636 1.00 74.81 N ATOM 127 CA LEU A 14 68.091 3.669 -5.725 1.00 75.37 C ATOM 128 C LEU A 14 69.298 4.181 -6.482 1.00 71.74 C ATOM 129 O LEU A 14 69.848 5.216 -6.134 1.00 70.25 O ATOM 130 CB LEU A 14 68.428 2.371 -4.993 1.00 81.20 C ATOM 131 CG LEU A 14 68.874 2.566 -3.536 1.00 85.30 C ATOM 132 CD1 LEU A 14 69.151 1.222 -2.880 1.00 91.19 C ATOM 133 CD2 LEU A 14 70.098 3.466 -3.426 1.00 82.95 C ATOM 134 H LEU A 14 66.584 2.544 -6.804 1.00 0.00 H ATOM 135 N GLY A 15 69.693 3.468 -7.528 1.00 71.83 N ATOM 136 CA GLY A 15 70.811 3.892 -8.367 1.00 69.18 C ATOM 137 C GLY A 15 70.619 5.285 -8.931 1.00 64.27 C ATOM 138 O GLY A 15 71.582 6.033 -9.091 1.00 63.10 O ATOM 139 H GLY A 15 69.194 2.585 -7.757 1.00 0.00 H ATOM 140 N CYS A 16 69.374 5.643 -9.228 1.00 62.39 N ATOM 141 CA CYS A 16 69.078 6.985 -9.706 1.00 57.91 C ATOM 142 C CYS A 16 69.501 8.051 -8.698 1.00 56.41 C ATOM 143 O CYS A 16 70.345 8.869 -9.005 1.00 54.99 O ATOM 144 CB CYS A 16 67.594 7.125 -10.026 1.00 57.12 C ATOM 145 SG CYS A 16 67.097 8.814 -10.372 1.00 54.50 S ATOM 146 H CYS A 16 68.602 4.955 -9.117 1.00 0.00 H ATOM 147 N ILE A 17 68.910 8.029 -7.507 1.00 58.50 N ATOM 148 CA ILE A 17 69.277 8.929 -6.394 1.00 58.93 C ATOM 149 C ILE A 17 70.795 9.049 -6.209 1.00 58.90 C ATOM 150 O ILE A 17 71.354 10.149 -6.162 1.00 56.44 O ATOM 151 CB ILE A 17 68.665 8.419 -5.048 1.00 62.56 C ATOM 152 CG1 ILE A 17 67.162 8.683 -5.005 1.00 63.43 C ATOM 153 CG2 ILE A 17 69.303 9.101 -3.842 1.00 64.43 C ATOM 154 CD1 ILE A 17 66.416 7.759 -4.080 1.00 67.51 C ATOM 155 H ILE A 17 68.147 7.340 -7.350 1.00 0.00 H ATOM 156 N ILE A 18 71.440 7.896 -6.085 1.00 61.17 N ATOM 157 CA ILE A 18 72.880 7.822 -5.933 1.00 62.97 C ATOM 158 C ILE A 18 73.582 8.636 -6.995 1.00 59.98 C ATOM 159 O ILE A 18 74.427 9.473 -6.677 1.00 60.78 O ATOM 160 CB ILE A 18 73.376 6.368 -6.024 1.00 66.36 C ATOM 161 CG1 ILE A 18 73.048 5.641 -4.720 1.00 70.03 C ATOM 162 CG2 ILE A 18 74.881 6.327 -6.336 1.00 66.20 C ATOM 163 CD1 ILE A 18 73.297 4.172 -4.759 1.00 75.43 C ATOM 164 H ILE A 18 70.892 7.012 -6.097 1.00 0.00 H ATOM 165 N THR A 19 73.241 8.379 -8.253 1.00 57.66 N ATOM 166 CA THR A 19 73.902 9.045 -9.367 1.00 55.11 C ATOM 167 C THR A 19 73.629 10.542 -9.353 1.00 51.62 C ATOM 168 O THR A 19 74.464 11.332 -9.773 1.00 48.87 O ATOM 169 CB THR A 19 73.462 8.470 -10.724 1.00 54.64 C ATOM 170 OG1 THR A 19 73.460 7.040 -10.669 1.00 57.52 O ATOM 171 CG2 THR A 19 74.406 8.921 -11.822 1.00 53.48 C ATOM 172 HG1 THR A 19 72.831 6.739 -9.966 1.00 0.00 H ATOM 173 H THR A 19 72.487 7.689 -8.446 1.00 0.00 H ATOM 174 N SER A 20 72.456 10.919 -8.862 1.00 51.85 N ATOM 175 CA SER A 20 72.096 12.323 -8.732 1.00 50.95 C ATOM 176 C SER A 20 73.050 13.068 -7.809 1.00 52.52 C ATOM 177 O SER A 20 73.379 14.232 -8.062 1.00 52.10 O ATOM 178 CB SER A 20 70.670 12.469 -8.200 1.00 51.92 C ATOM 179 OG SER A 20 70.509 13.721 -7.558 1.00 54.93 O ATOM 180 HG SER A 20 69.582 13.800 -7.220 1.00 0.00 H ATOM 181 H SER A 20 71.776 10.192 -8.562 1.00 0.00 H ATOM 182 N LEU A 21 73.488 12.399 -6.742 1.00 55.08 N ATOM 183 CA LEU A 21 74.310 13.043 -5.723 1.00 56.77 C ATOM 184 C LEU A 21 75.760 13.091 -6.129 1.00 57.19 C ATOM 185 O LEU A 21 76.435 14.086 -5.889 1.00 58.13 O ATOM 186 CB LEU A 21 74.166 12.339 -4.377 1.00 59.95 C ATOM 187 CG LEU A 21 72.794 12.489 -3.724 1.00 56.10 C ATOM 188 CD1 LEU A 21 72.650 11.525 -2.573 1.00 59.27 C ATOM 189 CD2 LEU A 21 72.607 13.898 -3.266 1.00 53.97 C ATOM 190 H LEU A 21 73.238 11.395 -6.634 1.00 0.00 H ATOM 191 N THR A 22 76.242 12.024 -6.743 1.00 58.42 N ATOM 192 CA THR A 22 77.617 12.004 -7.251 1.00 60.55 C ATOM 193 C THR A 22 77.784 12.836 -8.528 1.00 57.84 C ATOM 194 O THR A 22 78.830 13.433 -8.751 1.00 57.95 O ATOM 195 CB THR A 22 78.083 10.575 -7.551 1.00 62.91 C ATOM 196 OG1 THR A 22 77.174 9.964 -8.480 1.00 61.53 O ATOM 197 CG2 THR A 22 78.153 9.754 -6.270 1.00 65.39 C ATOM 198 HG1 THR A 22 76.266 9.941 -8.085 1.00 0.00 H ATOM 199 H THR A 22 75.637 11.187 -6.867 1.00 0.00 H ATOM 200 N GLY A 23 76.751 12.868 -9.363 1.00 56.36 N ATOM 201 CA GLY A 23 76.836 13.521 -10.667 1.00 54.45 C ATOM 202 C GLY A 23 77.667 12.732 -11.666 1.00 55.51 C ATOM 203 O GLY A 23 78.027 13.262 -12.702 1.00 54.38 O ATOM 204 H GLY A 23 75.858 12.416 -9.081 1.00 0.00 H ATOM 205 N ARG A 24 77.960 11.464 -11.363 1.00 58.84 N ATOM 206 CA ARG A 24 78.793 10.616 -12.217 1.00 61.35 C ATOM 207 C ARG A 24 78.001 9.426 -12.768 1.00 61.48 C ATOM 208 O ARG A 24 77.711 8.488 -12.049 1.00 63.99 O ATOM 209 CB ARG A 24 80.007 10.111 -11.440 1.00 65.20 C ATOM 210 CG ARG A 24 81.097 11.155 -11.196 1.00 67.79 C ATOM 211 CD ARG A 24 82.159 10.599 -10.228 1.00 73.50 C ATOM 212 NE ARG A 24 83.242 11.524 -9.867 1.00 75.96 N ATOM 213 CZ ARG A 24 84.303 11.181 -9.124 1.00 82.49 C ATOM 214 NH1 ARG A 24 84.438 9.939 -8.651 1.00 85.45 N ATOM 215 NH2 ARG A 24 85.248 12.079 -8.847 1.00 86.16 N ATOM 216 HE ARG A 24 83.181 12.504 -10.209 1.00 0.00 H ATOM 217 HH12 ARG A 24 85.268 9.689 -8.076 1.00 0.00 H ATOM 218 HH11 ARG A 24 83.714 9.222 -8.858 1.00 0.00 H ATOM 219 HH22 ARG A 24 86.070 11.808 -8.270 1.00 0.00 H ATOM 220 HH21 ARG A 24 85.164 13.051 -9.208 1.00 0.00 H ATOM 221 H ARG A 24 77.580 11.062 -10.482 1.00 0.00 H ATOM 222 N ASP A 25 77.654 9.478 -14.049 1.00 60.88 N ATOM 223 CA ASP A 25 76.942 8.394 -14.718 1.00 61.47 C ATOM 224 C ASP A 25 77.855 7.766 -15.762 1.00 63.69 C ATOM 225 O ASP A 25 78.126 8.372 -16.800 1.00 62.74 O ATOM 226 CB ASP A 25 75.670 8.921 -15.399 1.00 58.52 C ATOM 227 CG ASP A 25 74.884 7.819 -16.123 1.00 60.61 C ATOM 228 OD1 ASP A 25 75.146 6.642 -15.830 1.00 63.57 O ATOM 229 OD2 ASP A 25 74.011 8.110 -16.979 1.00 61.06 O ATOM 230 H ASP A 25 77.900 10.326 -14.598 1.00 0.00 H ATOM 231 N ARG A 26 78.305 6.545 -15.494 1.00 67.55 N ATOM 232 CA ARG A 26 79.163 5.817 -16.421 1.00 70.79 C ATOM 233 C ARG A 26 78.401 4.862 -17.323 1.00 71.53 C ATOM 234 O ARG A 26 78.964 4.351 -18.286 1.00 73.45 O ATOM 235 CB ARG A 26 80.237 5.071 -15.647 1.00 75.76 C ATOM 236 CG ARG A 26 81.056 6.008 -14.796 1.00 76.05 C ATOM 237 CD ARG A 26 82.305 5.368 -14.286 1.00 81.63 C ATOM 238 NE ARG A 26 83.045 6.312 -13.453 1.00 84.62 N ATOM 239 CZ ARG A 26 84.273 6.108 -12.971 1.00 89.95 C ATOM 240 NH1 ARG A 26 84.941 4.983 -13.234 1.00 94.20 N ATOM 241 NH2 ARG A 26 84.842 7.046 -12.218 1.00 90.58 N ATOM 242 HE ARG A 26 82.580 7.212 -13.217 1.00 0.00 H ATOM 243 HH12 ARG A 26 85.897 4.844 -12.849 1.00 0.00 H ATOM 244 HH11 ARG A 26 84.506 4.246 -13.824 1.00 0.00 H ATOM 245 HH22 ARG A 26 85.798 6.898 -11.837 1.00 0.00 H ATOM 246 HH21 ARG A 26 84.330 7.927 -12.010 1.00 0.00 H ATOM 247 H ARG A 26 78.037 6.095 -14.596 1.00 0.00 H ATOM 248 N ASN A 27 77.124 4.627 -17.021 1.00 70.66 N ATOM 249 CA ASN A 27 76.253 3.868 -17.917 1.00 71.49 C ATOM 250 C ASN A 27 76.362 4.379 -19.335 1.00 69.71 C ATOM 251 O ASN A 27 76.402 5.585 -19.566 1.00 65.88 O ATOM 252 CB ASN A 27 74.786 3.962 -17.498 1.00 69.75 C ATOM 253 CG ASN A 27 74.399 2.939 -16.452 1.00 74.33 C ATOM 254 OD1 ASN A 27 73.211 2.764 -16.163 1.00 77.14 O ATOM 255 ND2 ASN A 27 75.390 2.259 -15.876 1.00 78.22 N ATOM 256 HD22 ASN A 27 76.376 2.442 -16.153 1.00 0.00 H ATOM 257 HD21 ASN A 27 75.178 1.546 -15.150 1.00 0.00 H ATOM 258 H ASN A 27 76.738 4.992 -16.127 1.00 0.00 H ATOM 259 N GLN A 28 76.395 3.448 -20.279 1.00 72.95 N ATOM 260 CA GLN A 28 76.451 3.799 -21.680 1.00 72.50 C ATOM 261 C GLN A 28 75.154 4.485 -22.068 1.00 68.54 C ATOM 262 O GLN A 28 74.085 4.158 -21.547 1.00 68.80 O ATOM 263 CB GLN A 28 76.660 2.556 -22.544 1.00 77.87 C ATOM 264 CG GLN A 28 77.153 2.874 -23.948 1.00 79.58 C ATOM 265 CD GLN A 28 76.801 1.796 -24.951 1.00 84.37 C ATOM 266 OE1 GLN A 28 76.371 2.096 -26.071 1.00 85.10 O ATOM 267 NE2 GLN A 28 76.972 0.533 -24.554 1.00 88.92 N ATOM 268 HE22 GLN A 28 77.337 0.332 -23.601 1.00 0.00 H ATOM 269 HE21 GLN A 28 76.740 -0.250 -25.198 1.00 0.00 H ATOM 270 H GLN A 28 76.380 2.445 -20.006 1.00 0.00 H ATOM 271 N VAL A 29 75.272 5.443 -22.978 1.00 65.79 N ATOM 272 CA VAL A 29 74.151 6.217 -23.469 1.00 62.86 C ATOM 273 C VAL A 29 73.856 5.863 -24.929 1.00 64.89 C ATOM 274 O VAL A 29 74.771 5.737 -25.734 1.00 68.65 O ATOM 275 CB VAL A 29 74.468 7.708 -23.341 1.00 58.79 C ATOM 276 CG1 VAL A 29 73.352 8.558 -23.922 1.00 57.76 C ATOM 277 CG2 VAL A 29 74.675 8.053 -21.887 1.00 58.67 C ATOM 278 H VAL A 29 76.218 5.649 -23.358 1.00 0.00 H ATOM 279 N GLU A 30 72.580 5.702 -25.264 1.00 64.21 N ATOM 280 CA GLU A 30 72.151 5.423 -26.640 1.00 66.20 C ATOM 281 C GLU A 30 70.940 6.274 -26.992 1.00 63.14 C ATOM 282 O GLU A 30 70.279 6.820 -26.110 1.00 60.84 O ATOM 283 CB GLU A 30 71.774 3.946 -26.811 1.00 70.09 C ATOM 284 CG GLU A 30 72.945 2.976 -26.829 1.00 75.50 C ATOM 285 CD GLU A 30 72.631 1.637 -27.530 1.00 82.53 C ATOM 286 OE1 GLU A 30 71.456 1.383 -27.889 1.00 86.35 O ATOM 287 OE2 GLU A 30 73.574 0.833 -27.735 1.00 89.72 O ATOM 288 H GLU A 30 71.856 5.777 -24.521 1.00 0.00 H ATOM 289 N GLY A 31 70.649 6.382 -28.281 1.00 63.63 N ATOM 290 CA GLY A 31 69.370 6.918 -28.727 1.00 62.27 C ATOM 291 C GLY A 31 69.273 8.428 -28.747 1.00 57.72 C ATOM 292 O GLY A 31 70.149 9.129 -28.256 1.00 55.44 O ATOM 293 H GLY A 31 71.348 6.078 -28.988 1.00 0.00 H ATOM 294 N GLU A 32 68.172 8.911 -29.308 1.00 57.11 N ATOM 295 CA GLU A 32 67.985 10.317 -29.621 1.00 54.74 C ATOM 296 C GLU A 32 67.273 11.063 -28.503 1.00 51.07 C ATOM 297 O GLU A 32 67.547 12.243 -28.270 1.00 48.26 O ATOM 298 CB GLU A 32 67.185 10.470 -30.922 1.00 57.35 C ATOM 299 CG GLU A 32 67.718 9.665 -32.113 1.00 63.78 C ATOM 300 CD GLU A 32 67.191 8.232 -32.163 1.00 70.19 C ATOM 301 OE1 GLU A 32 66.594 7.781 -31.156 1.00 69.07 O ATOM 302 OE2 GLU A 32 67.366 7.557 -33.211 1.00 76.21 O ATOM 303 H GLU A 32 67.403 8.249 -29.535 1.00 0.00 H ATOM 304 N VAL A 33 66.345 10.380 -27.835 1.00 50.93 N ATOM 305 CA VAL A 33 65.623 10.942 -26.710 1.00 48.56 C ATOM 306 C VAL A 33 66.025 10.182 -25.455 1.00 48.00 C ATOM 307 O VAL A 33 66.069 8.946 -25.473 1.00 50.84 O ATOM 308 CB VAL A 33 64.113 10.792 -26.913 1.00 50.68 C ATOM 309 CG1 VAL A 33 63.332 11.569 -25.836 1.00 47.28 C ATOM 310 CG2 VAL A 33 63.728 11.247 -28.310 1.00 52.60 C ATOM 311 H VAL A 33 66.130 9.407 -28.132 1.00 0.00 H ATOM 312 N GLN A 34 66.332 10.911 -24.381 1.00 44.51 N ATOM 313 CA GLN A 34 66.616 10.287 -23.083 1.00 44.99 C ATOM 314 C GLN A 34 65.497 10.513 -22.026 1.00 43.84 C ATOM 315 O GLN A 34 64.964 11.608 -21.859 1.00 40.66 O ATOM 316 CB GLN A 34 67.947 10.795 -22.527 1.00 44.22 C ATOM 317 CG GLN A 34 69.180 10.616 -23.429 1.00 45.57 C ATOM 318 CD GLN A 34 69.424 9.186 -23.866 1.00 49.62 C ATOM 319 OE1 GLN A 34 69.201 8.863 -25.027 1.00 57.37 O ATOM 320 NE2 GLN A 34 69.888 8.323 -22.953 1.00 47.01 N ATOM 321 HE22 GLN A 34 70.063 8.641 -21.978 1.00 0.00 H ATOM 322 HE21 GLN A 34 70.073 7.335 -23.219 1.00 0.00 H ATOM 323 H GLN A 34 66.371 11.947 -24.465 1.00 0.00 H ATOM 324 N VAL A 35 65.142 9.459 -21.313 1.00 45.69 N ATOM 325 CA VAL A 35 64.240 9.595 -20.195 1.00 46.25 C ATOM 326 C VAL A 35 65.057 9.998 -18.979 1.00 46.09 C ATOM 327 O VAL A 35 66.032 9.358 -18.612 1.00 47.03 O ATOM 328 CB VAL A 35 63.483 8.314 -19.915 1.00 49.22 C ATOM 329 CG1 VAL A 35 62.560 8.512 -18.736 1.00 50.68 C ATOM 330 CG2 VAL A 35 62.691 7.912 -21.136 1.00 51.23 C ATOM 331 H VAL A 35 65.517 8.521 -21.560 1.00 0.00 H ATOM 332 N VAL A 36 64.607 11.055 -18.334 1.00 46.55 N ATOM 333 CA VAL A 36 65.430 11.826 -17.438 1.00 45.67 C ATOM 334 C VAL A 36 64.677 11.988 -16.114 1.00 46.88 C ATOM 335 O VAL A 36 63.433 11.920 -16.081 1.00 46.26 O ATOM 336 CB VAL A 36 65.755 13.165 -18.145 1.00 44.47 C ATOM 337 CG1 VAL A 36 65.394 14.363 -17.312 1.00 45.40 C ATOM 338 CG2 VAL A 36 67.228 13.179 -18.638 1.00 43.79 C ATOM 339 H VAL A 36 63.618 11.344 -18.477 1.00 0.00 H ATOM 340 N SER A 37 65.424 12.163 -15.021 1.00 46.50 N ATOM 341 CA SER A 37 64.791 12.266 -13.714 1.00 47.31 C ATOM 342 C SER A 37 65.615 12.953 -12.643 1.00 47.22 C ATOM 343 O SER A 37 66.812 12.750 -12.534 1.00 45.98 O ATOM 344 CB SER A 37 64.413 10.890 -13.205 1.00 49.20 C ATOM 345 OG SER A 37 63.363 11.009 -12.269 1.00 51.95 O ATOM 346 HG SER A 37 63.660 11.572 -11.511 1.00 0.00 H ATOM 347 H SER A 37 66.459 12.226 -15.104 1.00 0.00 H ATOM 348 N THR A 38 64.927 13.779 -11.862 1.00 48.25 N ATOM 349 CA THR A 38 65.412 14.268 -10.587 1.00 49.07 C ATOM 350 C THR A 38 64.797 13.364 -9.521 1.00 51.73 C ATOM 351 O THR A 38 64.112 12.401 -9.848 1.00 51.92 O ATOM 352 CB THR A 38 64.990 15.729 -10.382 1.00 49.27 C ATOM 353 OG1 THR A 38 63.557 15.834 -10.286 1.00 51.09 O ATOM 354 CG2 THR A 38 65.467 16.569 -11.556 1.00 47.44 C ATOM 355 HG1 THR A 38 63.146 15.495 -11.120 1.00 0.00 H ATOM 356 H THR A 38 63.989 14.092 -12.183 1.00 0.00 H ATOM 357 N ALA A 39 65.032 13.672 -8.253 1.00 54.26 N ATOM 358 CA ALA A 39 64.458 12.886 -7.145 1.00 58.14 C ATOM 359 C ALA A 39 62.937 12.819 -7.190 1.00 59.58 C ATOM 360 O ALA A 39 62.333 11.755 -7.037 1.00 61.53 O ATOM 361 CB ALA A 39 64.883 13.478 -5.819 1.00 60.07 C ATOM 362 H ALA A 39 65.637 14.489 -8.034 1.00 0.00 H ATOM 363 N THR A 40 62.335 13.980 -7.397 1.00 59.15 N ATOM 364 CA THR A 40 60.894 14.143 -7.334 1.00 61.24 C ATOM 365 C THR A 40 60.169 13.762 -8.613 1.00 60.04 C ATOM 366 O THR A 40 59.182 13.033 -8.569 1.00 63.83 O ATOM 367 CB THR A 40 60.556 15.599 -7.061 1.00 62.14 C ATOM 368 OG1 THR A 40 61.381 16.429 -7.896 1.00 61.65 O ATOM 369 CG2 THR A 40 60.797 15.927 -5.584 1.00 65.25 C ATOM 370 HG1 THR A 40 61.169 17.381 -7.726 1.00 0.00 H ATOM 371 H THR A 40 62.920 14.812 -7.614 1.00 0.00 H ATOM 372 N GLN A 41 60.648 14.259 -9.747 1.00 56.06 N ATOM 373 CA GLN A 41 59.876 14.189 -10.990 1.00 54.93 C ATOM 374 C GLN A 41 60.695 13.666 -12.171 1.00 51.22 C ATOM 375 O GLN A 41 61.909 13.570 -12.091 1.00 49.53 O ATOM 376 CB GLN A 41 59.247 15.558 -11.303 1.00 54.11 C ATOM 377 CG GLN A 41 60.236 16.705 -11.297 1.00 52.79 C ATOM 378 CD GLN A 41 59.584 18.065 -11.370 1.00 53.59 C ATOM 379 OE1 GLN A 41 58.471 18.268 -10.884 1.00 54.59 O ATOM 380 NE2 GLN A 41 60.291 19.020 -11.976 1.00 55.82 N ATOM 381 HE22 GLN A 41 61.228 18.802 -12.372 1.00 0.00 H ATOM 382 HE21 GLN A 41 59.906 19.983 -12.053 1.00 0.00 H ATOM 383 H GLN A 41 61.587 14.706 -9.753 1.00 0.00 H ATOM 384 N SER A 42 59.996 13.319 -13.253 1.00 50.87 N ATOM 385 CA SER A 42 60.591 12.706 -14.432 1.00 49.69 C ATOM 386 C SER A 42 60.032 13.276 -15.736 1.00 48.72 C ATOM 387 O SER A 42 58.871 13.655 -15.822 1.00 50.89 O ATOM 388 CB SER A 42 60.383 11.199 -14.402 1.00 51.72 C ATOM 389 OG SER A 42 61.440 10.542 -15.072 1.00 52.22 O ATOM 390 HG SER A 42 62.297 10.759 -14.626 1.00 0.00 H ATOM 391 H SER A 42 58.971 13.496 -13.254 1.00 0.00 H ATOM 392 N PHE A 43 60.883 13.331 -16.751 1.00 46.67 N ATOM 393 CA PHE A 43 60.532 13.928 -18.024 1.00 45.76 C ATOM 394 C PHE A 43 61.581 13.537 -19.062 1.00 45.33 C ATOM 395 O PHE A 43 62.567 12.866 -18.729 1.00 45.85 O ATOM 396 CB PHE A 43 60.458 15.446 -17.880 1.00 44.63 C ATOM 397 CG PHE A 43 61.643 16.032 -17.223 1.00 40.33 C ATOM 398 CD1 PHE A 43 61.775 15.988 -15.846 1.00 41.51 C ATOM 399 CD2 PHE A 43 62.651 16.596 -17.976 1.00 40.42 C ATOM 400 CE1 PHE A 43 62.893 16.507 -15.216 1.00 43.29 C ATOM 401 CE2 PHE A 43 63.783 17.127 -17.361 1.00 41.59 C ATOM 402 CZ PHE A 43 63.909 17.077 -15.970 1.00 41.55 C ATOM 403 H PHE A 43 61.836 12.932 -16.629 1.00 0.00 H ATOM 404 N LEU A 44 61.378 13.965 -20.305 1.00 44.39 N ATOM 405 CA LEU A 44 62.276 13.619 -21.398 1.00 43.73 C ATOM 406 C LEU A 44 63.268 14.741 -21.728 1.00 41.44 C ATOM 407 O LEU A 44 63.055 15.903 -21.384 1.00 40.55 O ATOM 408 CB LEU A 44 61.453 13.320 -22.648 1.00 45.38 C ATOM 409 CG LEU A 44 60.361 12.270 -22.546 1.00 46.80 C ATOM 410 CD1 LEU A 44 59.548 12.224 -23.841 1.00 48.57 C ATOM 411 CD2 LEU A 44 60.970 10.935 -22.246 1.00 48.58 C ATOM 412 H LEU A 44 60.552 14.565 -20.502 1.00 0.00 H ATOM 413 N ALA A 45 64.340 14.384 -22.422 1.00 41.02 N ATOM 414 CA ALA A 45 65.249 15.368 -23.015 1.00 40.86 C ATOM 415 C ALA A 45 65.553 14.942 -24.455 1.00 42.93 C ATOM 416 O ALA A 45 65.709 13.748 -24.719 1.00 45.93 O ATOM 417 CB ALA A 45 66.516 15.469 -22.201 1.00 37.87 C ATOM 418 H ALA A 45 64.542 13.372 -22.550 1.00 0.00 H ATOM 419 N THR A 46 65.610 15.891 -25.387 1.00 43.39 N ATOM 420 CA THR A 46 65.907 15.567 -26.793 1.00 46.08 C ATOM 421 C THR A 46 67.285 16.092 -27.211 1.00 46.89 C ATOM 422 O THR A 46 67.686 17.189 -26.814 1.00 46.14 O ATOM 423 CB THR A 46 64.855 16.160 -27.767 1.00 47.76 C ATOM 424 OG1 THR A 46 63.534 15.701 -27.428 1.00 47.93 O ATOM 425 CG2 THR A 46 65.169 15.754 -29.201 1.00 50.08 C ATOM 426 HG1 THR A 46 63.314 15.985 -26.506 1.00 0.00 H ATOM 427 H THR A 46 65.441 16.881 -25.117 1.00 0.00 H ATOM 428 N CYS A 47 67.990 15.306 -28.028 1.00 49.36 N ATOM 429 CA CYS A 47 69.256 15.728 -28.640 1.00 50.24 C ATOM 430 C CYS A 47 69.101 16.287 -30.055 1.00 51.03 C ATOM 431 O CYS A 47 68.572 15.620 -30.955 1.00 51.53 O ATOM 432 CB CYS A 47 70.233 14.563 -28.691 1.00 53.50 C ATOM 433 SG CYS A 47 70.468 13.820 -27.088 1.00 62.19 S ATOM 434 H CYS A 47 67.627 14.355 -28.240 1.00 0.00 H ATOM 435 N VAL A 48 69.587 17.513 -30.238 1.00 49.63 N ATOM 436 CA VAL A 48 69.603 18.150 -31.542 1.00 51.45 C ATOM 437 C VAL A 48 70.911 18.915 -31.673 1.00 50.99 C ATOM 438 O VAL A 48 71.270 19.669 -30.769 1.00 48.07 O ATOM 439 CB VAL A 48 68.402 19.117 -31.724 1.00 51.27 C ATOM 440 CG1 VAL A 48 68.294 19.568 -33.178 1.00 54.88 C ATOM 441 CG2 VAL A 48 67.103 18.474 -31.267 1.00 47.38 C ATOM 442 H VAL A 48 69.967 18.031 -29.420 1.00 0.00 H ATOM 443 N ASN A 49 71.613 18.707 -32.791 1.00 53.40 N ATOM 444 CA ASN A 49 72.928 19.327 -33.051 1.00 54.48 C ATOM 445 C ASN A 49 73.924 19.196 -31.912 1.00 52.46 C ATOM 446 O ASN A 49 74.547 20.177 -31.534 1.00 52.61 O ATOM 447 CB ASN A 49 72.785 20.818 -33.389 1.00 54.62 C ATOM 448 CG ASN A 49 71.972 21.059 -34.638 1.00 57.83 C ATOM 449 OD1 ASN A 49 71.620 20.121 -35.354 1.00 57.83 O ATOM 450 ND2 ASN A 49 71.660 22.328 -34.904 1.00 57.90 N ATOM 451 HD22 ASN A 49 71.981 23.086 -34.269 1.00 0.00 H ATOM 452 HD21 ASN A 49 71.096 22.559 -35.747 1.00 0.00 H ATOM 453 H ASN A 49 71.213 18.076 -33.515 1.00 0.00 H ATOM 454 N GLY A 50 74.071 18.001 -31.355 1.00 52.14 N ATOM 455 CA GLY A 50 75.041 17.780 -30.287 1.00 51.39 C ATOM 456 C GLY A 50 74.639 18.218 -28.888 1.00 48.52 C ATOM 457 O GLY A 50 75.338 17.912 -27.931 1.00 47.30 O ATOM 458 H GLY A 50 73.485 17.208 -31.685 1.00 0.00 H ATOM 459 N VAL A 51 73.516 18.917 -28.747 1.00 48.50 N ATOM 460 CA VAL A 51 73.047 19.383 -27.429 1.00 47.05 C ATOM 461 C VAL A 51 71.797 18.624 -26.965 1.00 45.40 C ATOM 462 O VAL A 51 70.896 18.413 -27.755 1.00 46.22 O ATOM 463 CB VAL A 51 72.713 20.876 -27.489 1.00 47.70 C ATOM 464 CG1 VAL A 51 72.146 21.381 -26.138 1.00 45.70 C ATOM 465 CG2 VAL A 51 73.938 21.662 -27.910 1.00 47.60 C ATOM 466 H VAL A 51 72.952 19.141 -29.591 1.00 0.00 H ATOM 467 N CYS A 52 71.765 18.211 -25.697 1.00 45.02 N ATOM 468 CA CYS A 52 70.541 17.667 -25.064 1.00 44.97 C ATOM 469 C CYS A 52 69.711 18.785 -24.486 1.00 43.38 C ATOM 470 O CYS A 52 70.179 19.496 -23.571 1.00 42.86 O ATOM 471 CB CYS A 52 70.858 16.723 -23.916 1.00 45.27 C ATOM 472 SG CYS A 52 71.331 15.108 -24.471 1.00 59.85 S ATOM 473 H CYS A 52 72.634 18.273 -25.130 1.00 0.00 H ATOM 474 N TRP A 53 68.490 18.920 -24.998 1.00 41.41 N ATOM 475 CA TRP A 53 67.597 19.975 -24.587 1.00 41.18 C ATOM 476 C TRP A 53 66.414 19.412 -23.822 1.00 40.74 C ATOM 477 O TRP A 53 65.811 18.407 -24.230 1.00 42.11 O ATOM 478 CB TRP A 53 67.050 20.705 -25.801 1.00 42.24 C ATOM 479 CG TRP A 53 68.066 21.189 -26.776 1.00 43.41 C ATOM 480 CD1 TRP A 53 68.532 20.524 -27.860 1.00 42.76 C ATOM 481 CD2 TRP A 53 68.711 22.467 -26.780 1.00 43.67 C ATOM 482 NE1 TRP A 53 69.419 21.295 -28.534 1.00 42.78 N ATOM 483 CE2 TRP A 53 69.553 22.496 -27.893 1.00 42.11 C ATOM 484 CE3 TRP A 53 68.664 23.585 -25.937 1.00 43.83 C ATOM 485 CZ2 TRP A 53 70.355 23.591 -28.193 1.00 45.76 C ATOM 486 CZ3 TRP A 53 69.446 24.679 -26.245 1.00 44.83 C ATOM 487 CH2 TRP A 53 70.278 24.674 -27.366 1.00 46.26 C ATOM 488 HE1 TRP A 53 69.919 21.017 -29.402 1.00 0.00 H ATOM 489 H TRP A 53 68.169 18.242 -25.718 1.00 0.00 H ATOM 490 N THR A 54 66.046 20.087 -22.741 1.00 39.46 N ATOM 491 CA THR A 54 64.867 19.706 -21.983 1.00 39.30 C ATOM 492 C THR A 54 64.160 20.947 -21.525 1.00 39.31 C ATOM 493 O THR A 54 64.516 22.035 -21.929 1.00 40.51 O ATOM 494 CB THR A 54 65.251 18.839 -20.790 1.00 38.86 C ATOM 495 OG1 THR A 54 64.074 18.280 -20.214 1.00 42.57 O ATOM 496 CG2 THR A 54 65.997 19.636 -19.743 1.00 39.04 C ATOM 497 HG1 THR A 54 63.608 17.726 -20.890 1.00 0.00 H ATOM 498 H THR A 54 66.611 20.903 -22.431 1.00 0.00 H ATOM 499 N VAL A 55 63.158 20.798 -20.669 1.00 40.89 N ATOM 500 CA VAL A 55 62.422 21.967 -20.164 1.00 41.37 C ATOM 501 C VAL A 55 63.024 22.496 -18.879 1.00 41.35 C ATOM 502 O VAL A 55 63.546 21.740 -18.064 1.00 41.34 O ATOM 503 CB VAL A 55 60.944 21.687 -19.945 1.00 41.68 C ATOM 504 CG1 VAL A 55 60.237 21.675 -21.273 1.00 44.69 C ATOM 505 CG2 VAL A 55 60.728 20.380 -19.199 1.00 40.32 C ATOM 506 H VAL A 55 62.890 19.845 -20.352 1.00 0.00 H ATOM 507 N TYR A 56 62.951 23.807 -18.709 1.00 42.81 N ATOM 508 CA TYR A 56 63.469 24.435 -17.510 1.00 43.61 C ATOM 509 C TYR A 56 62.589 24.102 -16.316 1.00 44.21 C ATOM 510 O TYR A 56 63.081 24.003 -15.199 1.00 43.74 O ATOM 511 CB TYR A 56 63.586 25.950 -17.682 1.00 45.72 C ATOM 512 CG TYR A 56 64.123 26.652 -16.459 1.00 46.25 C ATOM 513 CD1 TYR A 56 65.469 26.592 -16.139 1.00 45.00 C ATOM 514 CD2 TYR A 56 63.287 27.371 -15.624 1.00 49.68 C ATOM 515 CE1 TYR A 56 65.969 27.225 -15.028 1.00 47.58 C ATOM 516 CE2 TYR A 56 63.781 28.017 -14.504 1.00 52.65 C ATOM 517 CZ TYR A 56 65.125 27.933 -14.213 1.00 51.42 C ATOM 518 OH TYR A 56 65.633 28.566 -13.108 1.00 54.82 O ATOM 519 HH TYR A 56 66.608 28.401 -13.053 1.00 0.00 H ATOM 520 H TYR A 56 62.515 24.395 -19.447 1.00 0.00 H ATOM 521 N HIS A 57 61.298 23.891 -16.553 1.00 45.18 N ATOM 522 CA HIS A 57 60.396 23.597 -15.453 1.00 47.17 C ATOM 523 C HIS A 57 60.509 22.179 -14.918 1.00 47.18 C ATOM 524 O HIS A 57 59.833 21.847 -13.949 1.00 49.72 O ATOM 525 CB HIS A 57 58.962 23.922 -15.833 1.00 48.94 C ATOM 526 CG HIS A 57 58.284 22.886 -16.669 1.00 45.97 C ATOM 527 ND1 HIS A 57 58.255 22.945 -18.044 1.00 43.51 N ATOM 528 CD2 HIS A 57 57.541 21.813 -16.321 1.00 44.83 C ATOM 529 CE1 HIS A 57 57.555 21.926 -18.507 1.00 45.17 C ATOM 530 NE2 HIS A 57 57.114 21.222 -17.481 1.00 45.13 N ATOM 531 H HIS A 57 60.934 23.936 -17.526 1.00 0.00 H ATOM 532 N GLY A 58 61.352 21.352 -15.542 1.00 45.68 N ATOM 533 CA GLY A 58 61.681 20.020 -15.023 1.00 45.71 C ATOM 534 C GLY A 58 63.078 19.928 -14.410 1.00 45.74 C ATOM 535 O GLY A 58 63.303 19.158 -13.465 1.00 46.51 O ATOM 536 H GLY A 58 61.792 21.665 -16.431 1.00 0.00 H ATOM 537 N ALA A 59 64.013 20.710 -14.947 1.00 44.81 N ATOM 538 CA ALA A 59 65.434 20.587 -14.602 1.00 44.43 C ATOM 539 C ALA A 59 66.044 21.884 -14.087 1.00 45.23 C ATOM 540 O ALA A 59 67.241 21.947 -13.833 1.00 44.60 O ATOM 541 CB ALA A 59 66.220 20.135 -15.829 1.00 43.33 C ATOM 542 H ALA A 59 63.725 21.434 -15.636 1.00 0.00 H ATOM 543 N GLY A 60 65.231 22.918 -13.944 1.00 46.10 N ATOM 544 CA GLY A 60 65.746 24.257 -13.696 1.00 47.08 C ATOM 545 C GLY A 60 67.232 24.452 -13.948 1.00 45.25 C ATOM 546 O GLY A 60 67.709 24.469 -15.069 1.00 43.04 O ATOM 547 H GLY A 60 64.204 22.771 -14.010 1.00 0.00 H ATOM 548 N SER A 61 67.954 24.560 -12.855 1.00 47.16 N ATOM 549 CA SER A 61 69.329 25.034 -12.819 1.00 48.47 C ATOM 550 C SER A 61 70.336 23.892 -12.949 1.00 47.55 C ATOM 551 O SER A 61 71.525 24.120 -13.137 1.00 49.46 O ATOM 552 CB SER A 61 69.491 25.697 -11.449 1.00 52.58 C ATOM 553 OG SER A 61 68.443 25.240 -10.547 1.00 53.65 O ATOM 554 HG SER A 61 68.556 25.674 -9.664 1.00 0.00 H ATOM 555 H SER A 61 67.512 24.288 -11.954 1.00 0.00 H ATOM 556 N LYS A 62 69.834 22.662 -12.856 1.00 45.37 N ATOM 557 CA LYS A 62 70.628 21.498 -12.522 1.00 44.14 C ATOM 558 C LYS A 62 71.588 21.037 -13.620 1.00 43.44 C ATOM 559 O LYS A 62 71.350 21.273 -14.815 1.00 42.25 O ATOM 560 CB LYS A 62 69.696 20.340 -12.131 1.00 42.88 C ATOM 561 CG LYS A 62 69.071 20.492 -10.749 1.00 45.45 C ATOM 562 CD LYS A 62 68.133 19.330 -10.393 1.00 46.20 C ATOM 563 CE LYS A 62 67.701 19.360 -8.925 1.00 48.30 C ATOM 564 NZ LYS A 62 68.265 18.224 -8.138 1.00 50.80 N ATOM 565 HZ1 LYS A 62 67.941 17.325 -8.549 1.00 0.00 H ATOM 566 HZ2 LYS A 62 69.304 18.266 -8.167 1.00 0.00 H ATOM 567 HZ3 LYS A 62 67.941 18.293 -7.152 1.00 0.00 H ATOM 568 H LYS A 62 68.818 22.530 -13.033 1.00 0.00 H ATOM 569 N THR A 63 72.657 20.361 -13.173 1.00 43.42 N ATOM 570 CA THR A 63 73.651 19.721 -14.031 1.00 42.38 C ATOM 571 C THR A 63 73.172 18.339 -14.445 1.00 41.04 C ATOM 572 O THR A 63 72.194 17.854 -13.922 1.00 40.23 O ATOM 573 CB THR A 63 75.014 19.536 -13.296 1.00 44.28 C ATOM 574 OG1 THR A 63 74.811 18.832 -12.060 1.00 44.10 O ATOM 575 CG2 THR A 63 75.685 20.875 -13.028 1.00 44.40 C ATOM 576 HG1 THR A 63 75.680 18.719 -11.600 1.00 0.00 H ATOM 577 H THR A 63 72.787 20.287 -12.144 1.00 0.00 H ATOM 578 N LEU A 64 73.894 17.697 -15.361 1.00 41.08 N ATOM 579 CA LEU A 64 73.515 16.387 -15.865 1.00 41.36 C ATOM 580 C LEU A 64 74.601 15.366 -15.558 1.00 43.74 C ATOM 581 O LEU A 64 75.745 15.511 -15.992 1.00 44.36 O ATOM 582 CB LEU A 64 73.294 16.469 -17.375 1.00 40.70 C ATOM 583 CG LEU A 64 72.973 15.168 -18.104 1.00 39.56 C ATOM 584 CD1 LEU A 64 71.601 14.658 -17.714 1.00 36.88 C ATOM 585 CD2 LEU A 64 73.069 15.413 -19.591 1.00 40.70 C ATOM 586 H LEU A 64 74.757 18.147 -15.728 1.00 0.00 H ATOM 587 N ALA A 65 74.242 14.317 -14.826 1.00 45.21 N ATOM 588 CA ALA A 65 75.229 13.340 -14.409 1.00 47.50 C ATOM 589 C ALA A 65 75.899 12.779 -15.655 1.00 48.50 C ATOM 590 O ALA A 65 75.236 12.218 -16.526 1.00 49.36 O ATOM 591 CB ALA A 65 74.582 12.243 -13.594 1.00 48.91 C ATOM 592 H ALA A 65 73.247 14.196 -14.550 1.00 0.00 H ATOM 593 N GLY A 66 77.207 12.972 -15.752 1.00 50.05 N ATOM 594 CA GLY A 66 77.958 12.580 -16.935 1.00 51.00 C ATOM 595 C GLY A 66 79.160 11.725 -16.606 1.00 53.81 C ATOM 596 O GLY A 66 79.610 11.696 -15.467 1.00 53.42 O ATOM 597 H GLY A 66 77.711 13.417 -14.959 1.00 0.00 H ATOM 598 N PRO A 67 79.716 11.056 -17.628 1.00 56.26 N ATOM 599 CA PRO A 67 80.781 10.067 -17.490 1.00 60.13 C ATOM 600 C PRO A 67 82.068 10.596 -16.846 1.00 62.06 C ATOM 601 O PRO A 67 82.877 9.795 -16.361 1.00 64.45 O ATOM 602 CB PRO A 67 81.034 9.630 -18.938 1.00 61.36 C ATOM 603 CG PRO A 67 80.536 10.753 -19.771 1.00 58.72 C ATOM 604 CD PRO A 67 79.354 11.259 -19.044 1.00 55.94 C ATOM 605 N LYS A 68 82.244 11.922 -16.854 1.00 61.26 N ATOM 606 CA LYS A 68 83.344 12.595 -16.138 1.00 63.32 C ATOM 607 C LYS A 68 82.793 13.572 -15.077 1.00 61.69 C ATOM 608 O LYS A 68 83.267 14.698 -14.945 1.00 62.78 O ATOM 609 CB LYS A 68 84.242 13.344 -17.131 1.00 63.53 C ATOM 610 CG LYS A 68 84.463 12.590 -18.419 1.00 65.74 C ATOM 611 CD LYS A 68 85.623 13.138 -19.231 1.00 68.84 C ATOM 612 CE LYS A 68 86.498 11.996 -19.724 1.00 74.40 C ATOM 613 NZ LYS A 68 87.829 12.463 -20.186 1.00 80.68 N ATOM 614 HZ1 LYS A 68 87.706 13.136 -20.969 1.00 0.00 H ATOM 615 HZ2 LYS A 68 88.323 12.931 -19.400 1.00 0.00 H ATOM 616 HZ3 LYS A 68 88.387 11.648 -20.512 1.00 0.00 H ATOM 617 H LYS A 68 81.573 12.507 -17.391 1.00 0.00 H ATOM 618 N GLY A 69 81.793 13.140 -14.321 1.00 60.15 N ATOM 619 CA GLY A 69 81.170 14.016 -13.344 1.00 59.12 C ATOM 620 C GLY A 69 80.120 14.902 -13.987 1.00 56.65 C ATOM 621 O GLY A 69 79.798 14.744 -15.174 1.00 56.33 O ATOM 622 H GLY A 69 81.451 12.164 -14.429 1.00 0.00 H ATOM 623 N PRO A 70 79.571 15.843 -13.206 1.00 55.00 N ATOM 624 CA PRO A 70 78.403 16.578 -13.659 1.00 52.09 C ATOM 625 C PRO A 70 78.712 17.513 -14.809 1.00 51.87 C ATOM 626 O PRO A 70 79.827 17.997 -14.930 1.00 54.72 O ATOM 627 CB PRO A 70 77.978 17.368 -12.421 1.00 52.53 C ATOM 628 CG PRO A 70 79.181 17.452 -11.569 1.00 54.91 C ATOM 629 CD PRO A 70 80.020 16.258 -11.866 1.00 56.48 C ATOM 630 N ILE A 71 77.707 17.755 -15.638 1.00 50.31 N ATOM 631 CA ILE A 71 77.810 18.615 -16.797 1.00 49.69 C ATOM 632 C ILE A 71 76.978 19.877 -16.550 1.00 49.43 C ATOM 633 O ILE A 71 75.776 19.801 -16.243 1.00 46.52 O ATOM 634 CB ILE A 71 77.257 17.905 -18.048 1.00 48.51 C ATOM 635 CG1 ILE A 71 77.955 16.563 -18.260 1.00 48.25 C ATOM 636 CG2 ILE A 71 77.375 18.807 -19.296 1.00 48.75 C ATOM 637 CD1 ILE A 71 77.129 15.600 -19.090 1.00 49.10 C ATOM 638 H ILE A 71 76.792 17.301 -15.444 1.00 0.00 H ATOM 639 N THR A 72 77.619 21.031 -16.714 1.00 51.06 N ATOM 640 CA THR A 72 76.956 22.323 -16.573 1.00 51.44 C ATOM 641 C THR A 72 76.007 22.599 -17.746 1.00 50.49 C ATOM 642 O THR A 72 76.222 22.115 -18.856 1.00 51.87 O ATOM 643 CB THR A 72 78.012 23.447 -16.436 1.00 53.95 C ATOM 644 OG1 THR A 72 78.693 23.296 -15.187 1.00 56.30 O ATOM 645 CG2 THR A 72 77.380 24.827 -16.473 1.00 55.26 C ATOM 646 HG1 THR A 72 79.370 24.012 -15.093 1.00 0.00 H ATOM 647 H THR A 72 78.631 21.012 -16.952 1.00 0.00 H ATOM 648 N GLN A 73 74.947 23.360 -17.496 1.00 50.08 N ATOM 649 CA GLN A 73 74.089 23.816 -18.574 1.00 49.68 C ATOM 650 C GLN A 73 74.881 24.765 -19.448 1.00 52.03 C ATOM 651 O GLN A 73 75.403 25.771 -18.973 1.00 54.24 O ATOM 652 CB GLN A 73 72.833 24.507 -18.036 1.00 48.61 C ATOM 653 CG GLN A 73 71.811 23.532 -17.495 1.00 47.43 C ATOM 654 CD GLN A 73 70.604 24.201 -16.856 1.00 47.53 C ATOM 655 OE1 GLN A 73 69.913 23.596 -16.030 1.00 43.40 O ATOM 656 NE2 GLN A 73 70.355 25.453 -17.218 1.00 44.46 N ATOM 657 HE22 GLN A 73 70.964 25.923 -17.918 1.00 0.00 H ATOM 658 HE21 GLN A 73 69.551 25.964 -16.802 1.00 0.00 H ATOM 659 H GLN A 73 74.730 23.632 -16.516 1.00 0.00 H ATOM 660 N MET A 74 75.000 24.417 -20.720 1.00 53.26 N ATOM 661 CA MET A 74 75.507 25.346 -21.728 1.00 57.04 C ATOM 662 C MET A 74 74.511 26.463 -21.988 1.00 57.68 C ATOM 663 O MET A 74 74.885 27.609 -22.185 1.00 61.02 O ATOM 664 CB MET A 74 75.725 24.630 -23.052 1.00 57.26 C ATOM 665 CG MET A 74 77.149 24.457 -23.464 1.00 62.07 C ATOM 666 SD MET A 74 77.148 24.244 -25.256 1.00 66.30 S ATOM 667 CE MET A 74 78.805 24.855 -25.601 1.00 69.11 C ATOM 668 H MET A 74 74.725 23.457 -21.010 1.00 0.00 H ATOM 669 N TYR A 75 73.236 26.109 -22.031 1.00 56.23 N ATOM 670 CA TYR A 75 72.210 27.035 -22.457 1.00 57.46 C ATOM 671 C TYR A 75 71.075 27.047 -21.458 1.00 55.25 C ATOM 672 O TYR A 75 70.621 26.014 -20.991 1.00 51.83 O ATOM 673 CB TYR A 75 71.699 26.643 -23.841 1.00 59.09 C ATOM 674 CG TYR A 75 72.811 26.532 -24.853 1.00 62.01 C ATOM 675 CD1 TYR A 75 73.508 27.670 -25.278 1.00 65.95 C ATOM 676 CD2 TYR A 75 73.193 25.290 -25.371 1.00 61.41 C ATOM 677 CE1 TYR A 75 74.551 27.577 -26.208 1.00 67.19 C ATOM 678 CE2 TYR A 75 74.240 25.188 -26.298 1.00 62.92 C ATOM 679 CZ TYR A 75 74.907 26.331 -26.711 1.00 65.58 C ATOM 680 OH TYR A 75 75.921 26.218 -27.631 1.00 69.40 O ATOM 681 HH TYR A 75 76.632 25.634 -27.266 1.00 0.00 H ATOM 682 H TYR A 75 72.966 25.144 -21.752 1.00 0.00 H ATOM 683 N THR A 76 70.626 28.242 -21.133 1.00 57.06 N ATOM 684 CA THR A 76 69.596 28.413 -20.147 1.00 57.00 C ATOM 685 C THR A 76 68.784 29.637 -20.569 1.00 59.23 C ATOM 686 O THR A 76 69.222 30.787 -20.448 1.00 62.04 O ATOM 687 CB THR A 76 70.210 28.537 -18.743 1.00 57.91 C ATOM 688 OG1 THR A 76 71.090 27.425 -18.528 1.00 59.32 O ATOM 689 CG2 THR A 76 69.135 28.530 -17.647 1.00 58.02 C ATOM 690 HG1 THR A 76 70.577 26.581 -18.599 1.00 0.00 H ATOM 691 H THR A 76 71.026 29.080 -21.601 1.00 0.00 H ATOM 692 N ASN A 77 67.605 29.350 -21.104 1.00 57.37 N ATOM 693 CA ASN A 77 66.731 30.356 -21.642 1.00 59.68 C ATOM 694 C ASN A 77 65.368 30.287 -20.933 1.00 59.51 C ATOM 695 O ASN A 77 64.362 29.864 -21.514 1.00 59.18 O ATOM 696 CB ASN A 77 66.614 30.125 -23.147 1.00 59.54 C ATOM 697 CG ASN A 77 65.809 31.180 -23.837 1.00 60.68 C ATOM 698 OD1 ASN A 77 65.801 31.253 -25.060 1.00 64.86 O ATOM 699 ND2 ASN A 77 65.126 32.007 -23.067 1.00 57.41 N ATOM 700 HD22 ASN A 77 65.164 31.906 -22.033 1.00 0.00 H ATOM 701 HD21 ASN A 77 64.550 32.760 -23.495 1.00 0.00 H ATOM 702 H ASN A 77 67.300 28.356 -21.136 1.00 0.00 H ATOM 703 N VAL A 78 65.358 30.717 -19.670 1.00 59.70 N ATOM 704 CA VAL A 78 64.142 30.737 -18.833 1.00 59.97 C ATOM 705 C VAL A 78 62.908 31.256 -19.588 1.00 60.93 C ATOM 706 O VAL A 78 61.826 30.693 -19.466 1.00 59.21 O ATOM 707 CB VAL A 78 64.348 31.598 -17.544 1.00 62.25 C ATOM 708 CG1 VAL A 78 63.080 31.620 -16.690 1.00 63.38 C ATOM 709 CG2 VAL A 78 65.522 31.076 -16.724 1.00 60.77 C ATOM 710 H VAL A 78 66.250 31.054 -19.255 1.00 0.00 H ATOM 711 N ASP A 79 63.092 32.318 -20.369 1.00 63.26 N ATOM 712 CA ASP A 79 62.021 32.906 -21.176 1.00 66.61 C ATOM 713 C ASP A 79 61.265 31.901 -22.031 1.00 64.63 C ATOM 714 O ASP A 79 60.073 32.069 -22.260 1.00 67.99 O ATOM 715 CB ASP A 79 62.560 34.011 -22.097 1.00 69.64 C ATOM 716 CG ASP A 79 62.944 35.273 -21.344 1.00 75.65 C ATOM 717 OD1 ASP A 79 63.187 35.186 -20.117 1.00 77.90 O ATOM 718 OD2 ASP A 79 63.015 36.351 -21.982 1.00 81.20 O ATOM 719 H ASP A 79 64.038 32.749 -20.408 1.00 0.00 H ATOM 720 N GLN A 80 61.948 30.876 -22.515 1.00 60.92 N ATOM 721 CA GLN A 80 61.324 29.909 -23.401 1.00 60.04 C ATOM 722 C GLN A 80 61.201 28.524 -22.750 1.00 56.86 C ATOM 723 O GLN A 80 60.897 27.546 -23.430 1.00 56.42 O ATOM 724 CB GLN A 80 62.117 29.823 -24.711 1.00 60.69 C ATOM 725 CG GLN A 80 62.279 31.156 -25.452 1.00 64.98 C ATOM 726 CD GLN A 80 60.983 31.689 -26.078 1.00 70.59 C ATOM 727 OE1 GLN A 80 60.040 30.935 -26.356 1.00 70.00 O ATOM 728 NE2 GLN A 80 60.946 33.002 -26.315 1.00 73.92 N ATOM 729 HE22 GLN A 80 61.761 33.599 -26.066 1.00 0.00 H ATOM 730 HE21 GLN A 80 60.103 33.428 -26.749 1.00 0.00 H ATOM 731 H GLN A 80 62.949 30.761 -22.256 1.00 0.00 H ATOM 732 N ASP A 81 61.436 28.447 -21.439 1.00 55.50 N ATOM 733 CA ASP A 81 61.351 27.190 -20.679 1.00 52.73 C ATOM 734 C ASP A 81 62.324 26.135 -21.223 1.00 49.87 C ATOM 735 O ASP A 81 62.007 24.948 -21.260 1.00 48.81 O ATOM 736 CB ASP A 81 59.899 26.666 -20.683 1.00 53.57 C ATOM 737 CG ASP A 81 59.665 25.525 -19.687 1.00 52.08 C ATOM 738 OD1 ASP A 81 60.445 25.408 -18.707 1.00 48.08 O ATOM 739 OD2 ASP A 81 58.690 24.752 -19.893 1.00 46.10 O ATOM 740 H ASP A 81 61.692 29.317 -20.930 1.00 0.00 H ATOM 741 N LEU A 82 63.522 26.572 -21.607 1.00 49.73 N ATOM 742 CA LEU A 82 64.497 25.720 -22.320 1.00 48.02 C ATOM 743 C LEU A 82 65.872 25.703 -21.655 1.00 46.54 C ATOM 744 O LEU A 82 66.424 26.753 -21.341 1.00 47.45 O ATOM 745 CB LEU A 82 64.662 26.248 -23.752 1.00 49.72 C ATOM 746 CG LEU A 82 65.683 25.577 -24.674 1.00 48.45 C ATOM 747 CD1 LEU A 82 65.213 24.175 -25.045 1.00 47.96 C ATOM 748 CD2 LEU A 82 65.901 26.404 -25.926 1.00 50.06 C ATOM 749 H LEU A 82 63.783 27.556 -21.396 1.00 0.00 H ATOM 750 N VAL A 83 66.432 24.514 -21.463 1.00 45.19 N ATOM 751 CA VAL A 83 67.848 24.374 -21.068 1.00 45.55 C ATOM 752 C VAL A 83 68.530 23.320 -21.924 1.00 44.88 C ATOM 753 O VAL A 83 67.853 22.508 -22.560 1.00 44.46 O ATOM 754 CB VAL A 83 68.047 24.018 -19.562 1.00 44.82 C ATOM 755 CG1 VAL A 83 67.628 25.166 -18.703 1.00 46.96 C ATOM 756 CG2 VAL A 83 67.267 22.782 -19.177 1.00 45.31 C ATOM 757 H VAL A 83 65.857 23.657 -21.595 1.00 0.00 H ATOM 758 N GLY A 84 69.863 23.338 -21.932 1.00 45.54 N ATOM 759 CA GLY A 84 70.649 22.394 -22.729 1.00 45.50 C ATOM 760 C GLY A 84 72.024 22.056 -22.158 1.00 46.17 C ATOM 761 O GLY A 84 72.731 22.931 -21.633 1.00 46.00 O ATOM 762 H GLY A 84 70.360 24.045 -21.354 1.00 0.00 H ATOM 763 N TRP A 85 72.387 20.774 -22.262 1.00 45.87 N ATOM 764 CA TRP A 85 73.716 20.274 -21.895 1.00 46.03 C ATOM 765 C TRP A 85 74.417 19.664 -23.126 1.00 47.36 C ATOM 766 O TRP A 85 73.759 19.225 -24.073 1.00 46.87 O ATOM 767 CB TRP A 85 73.602 19.174 -20.844 1.00 45.28 C ATOM 768 CG TRP A 85 72.845 19.494 -19.570 1.00 44.56 C ATOM 769 CD1 TRP A 85 73.320 20.163 -18.482 1.00 45.10 C ATOM 770 CD2 TRP A 85 71.511 19.086 -19.233 1.00 41.91 C ATOM 771 NE1 TRP A 85 72.358 20.224 -17.500 1.00 43.21 N ATOM 772 CE2 TRP A 85 71.243 19.564 -17.930 1.00 41.99 C ATOM 773 CE3 TRP A 85 70.509 18.381 -19.913 1.00 43.14 C ATOM 774 CZ2 TRP A 85 70.016 19.360 -17.290 1.00 43.74 C ATOM 775 CZ3 TRP A 85 69.278 18.172 -19.273 1.00 42.41 C ATOM 776 CH2 TRP A 85 69.044 18.668 -17.979 1.00 42.74 C ATOM 777 HE1 TRP A 85 72.463 20.696 -16.579 1.00 0.00 H ATOM 778 H TRP A 85 71.688 20.093 -22.623 1.00 0.00 H ATOM 779 N GLN A 86 75.748 19.610 -23.114 1.00 49.00 N ATOM 780 CA GLN A 86 76.457 18.934 -24.198 1.00 51.18 C ATOM 781 C GLN A 86 76.208 17.449 -24.130 1.00 50.62 C ATOM 782 O GLN A 86 76.359 16.847 -23.081 1.00 49.92 O ATOM 783 CB GLN A 86 77.950 19.183 -24.154 1.00 53.51 C ATOM 784 CG GLN A 86 78.336 20.522 -24.701 1.00 56.36 C ATOM 785 CD GLN A 86 79.739 20.544 -25.236 1.00 59.09 C ATOM 786 OE1 GLN A 86 80.442 19.533 -25.227 1.00 57.45 O ATOM 787 NE2 GLN A 86 80.156 21.706 -25.728 1.00 66.13 N ATOM 788 HE22 GLN A 86 79.526 22.533 -25.714 1.00 0.00 H ATOM 789 HE21 GLN A 86 81.113 21.788 -26.127 1.00 0.00 H ATOM 790 H GLN A 86 76.281 20.048 -22.335 1.00 0.00 H ATOM 791 N ALA A 87 75.842 16.865 -25.263 1.00 51.97 N ATOM 792 CA ALA A 87 75.350 15.497 -25.289 1.00 52.25 C ATOM 793 C ALA A 87 76.426 14.528 -24.806 1.00 53.50 C ATOM 794 O ALA A 87 77.542 14.525 -25.326 1.00 55.63 O ATOM 795 CB ALA A 87 74.867 15.126 -26.689 1.00 53.43 C ATOM 796 H ALA A 87 75.908 17.398 -26.154 1.00 0.00 H ATOM 797 N PRO A 88 76.107 13.733 -23.771 1.00 53.10 N ATOM 798 CA PRO A 88 77.033 12.688 -23.370 1.00 54.99 C ATOM 799 C PRO A 88 77.417 11.875 -24.578 1.00 57.46 C ATOM 800 O PRO A 88 76.574 11.677 -25.454 1.00 58.30 O ATOM 801 CB PRO A 88 76.205 11.835 -22.413 1.00 54.70 C ATOM 802 CG PRO A 88 75.203 12.768 -21.852 1.00 52.55 C ATOM 803 CD PRO A 88 74.907 13.774 -22.913 1.00 50.99 C ATOM 804 N PRO A 89 78.678 11.428 -24.653 1.00 59.77 N ATOM 805 CA PRO A 89 79.065 10.571 -25.765 1.00 62.87 C ATOM 806 C PRO A 89 78.184 9.326 -25.846 1.00 63.71 C ATOM 807 O PRO A 89 77.920 8.698 -24.825 1.00 63.76 O ATOM 808 CB PRO A 89 80.516 10.201 -25.444 1.00 65.14 C ATOM 809 CG PRO A 89 80.727 10.560 -24.040 1.00 63.69 C ATOM 810 CD PRO A 89 79.801 11.680 -23.740 1.00 60.57 C ATOM 811 N GLY A 90 77.721 8.993 -27.050 1.00 65.54 N ATOM 812 CA GLY A 90 76.797 7.872 -27.255 1.00 67.12 C ATOM 813 C GLY A 90 75.402 8.319 -27.666 1.00 64.64 C ATOM 814 O GLY A 90 74.727 7.645 -28.442 1.00 66.14 O ATOM 815 H GLY A 90 78.026 9.548 -27.875 1.00 0.00 H ATOM 816 N ALA A 91 74.977 9.462 -27.148 1.00 60.55 N ATOM 817 CA ALA A 91 73.707 10.051 -27.531 1.00 59.48 C ATOM 818 C ALA A 91 73.665 10.411 -29.026 1.00 61.62 C ATOM 819 O ALA A 91 74.344 11.328 -29.475 1.00 61.55 O ATOM 820 CB ALA A 91 73.450 11.272 -26.696 1.00 55.59 C ATOM 821 H ALA A 91 75.570 9.951 -26.447 1.00 0.00 H ATOM 822 N ARG A 92 72.867 9.669 -29.787 1.00 64.63 N ATOM 823 CA ARG A 92 72.638 9.956 -31.203 1.00 66.68 C ATOM 824 C ARG A 92 71.753 11.195 -31.366 1.00 63.82 C ATOM 825 O ARG A 92 70.614 11.196 -30.936 1.00 61.99 O ATOM 826 CB ARG A 92 71.944 8.778 -31.875 1.00 70.28 C ATOM 827 CG ARG A 92 72.713 7.485 -31.859 1.00 74.80 C ATOM 828 CD ARG A 92 71.860 6.417 -32.532 1.00 79.53 C ATOM 829 NE ARG A 92 72.596 5.201 -32.878 1.00 84.80 N ATOM 830 CZ ARG A 92 72.026 4.090 -33.343 1.00 89.79 C ATOM 831 NH1 ARG A 92 70.704 4.025 -33.516 1.00 91.40 N ATOM 832 NH2 ARG A 92 72.776 3.032 -33.631 1.00 93.80 N ATOM 833 HE ARG A 92 73.628 5.204 -32.753 1.00 0.00 H ATOM 834 HH12 ARG A 92 70.269 3.153 -33.880 1.00 0.00 H ATOM 835 HH11 ARG A 92 70.109 4.846 -33.287 1.00 0.00 H ATOM 836 HH22 ARG A 92 72.333 2.164 -33.994 1.00 0.00 H ATOM 837 HH21 ARG A 92 73.806 3.072 -33.493 1.00 0.00 H ATOM 838 H ARG A 92 72.386 8.852 -29.359 1.00 0.00 H ATOM 839 N SER A 93 72.277 12.230 -32.017 1.00 63.85 N ATOM 840 CA SER A 93 71.592 13.519 -32.147 1.00 61.23 C ATOM 841 C SER A 93 70.657 13.576 -33.362 1.00 63.11 C ATOM 842 O SER A 93 71.006 13.093 -34.441 1.00 66.79 O ATOM 843 CB SER A 93 72.636 14.639 -32.242 1.00 61.06 C ATOM 844 OG SER A 93 72.033 15.882 -32.554 1.00 63.57 O ATOM 845 HG SER A 93 71.566 15.812 -33.424 1.00 0.00 H ATOM 846 H SER A 93 73.215 12.119 -32.453 1.00 0.00 H ATOM 847 N LEU A 94 69.472 14.163 -33.180 1.00 60.50 N ATOM 848 CA LEU A 94 68.576 14.481 -34.301 1.00 61.67 C ATOM 849 C LEU A 94 68.977 15.797 -34.944 1.00 61.06 C ATOM 850 O LEU A 94 69.645 16.624 -34.331 1.00 59.24 O ATOM 851 CB LEU A 94 67.125 14.599 -33.837 1.00 60.28 C ATOM 852 CG LEU A 94 66.449 13.298 -33.424 1.00 60.92 C ATOM 853 CD1 LEU A 94 65.296 13.590 -32.469 1.00 59.89 C ATOM 854 CD2 LEU A 94 65.981 12.522 -34.630 1.00 63.62 C ATOM 855 H LEU A 94 69.173 14.403 -32.213 1.00 0.00 H ATOM 856 N THR A 95 68.538 15.995 -36.175 1.00 64.01 N ATOM 857 CA THR A 95 68.868 17.200 -36.920 1.00 65.62 C ATOM 858 C THR A 95 67.568 17.953 -37.262 1.00 64.72 C ATOM 859 O THR A 95 66.512 17.326 -37.412 1.00 64.14 O ATOM 860 CB THR A 95 69.715 16.871 -38.182 1.00 70.43 C ATOM 861 OG1 THR A 95 69.644 17.960 -39.109 1.00 74.75 O ATOM 862 CG2 THR A 95 69.237 15.582 -38.874 1.00 73.07 C ATOM 863 HG1 THR A 95 70.185 17.746 -39.910 1.00 0.00 H ATOM 864 H THR A 95 67.941 15.270 -36.623 1.00 0.00 H ATOM 865 N PRO A 96 67.627 19.301 -37.344 1.00 63.72 N ATOM 866 CA PRO A 96 66.421 20.084 -37.592 1.00 63.35 C ATOM 867 C PRO A 96 65.788 19.870 -38.966 1.00 66.51 C ATOM 868 O PRO A 96 66.509 19.709 -39.961 1.00 70.55 O ATOM 869 CB PRO A 96 66.912 21.532 -37.464 1.00 64.11 C ATOM 870 CG PRO A 96 68.179 21.446 -36.724 1.00 62.77 C ATOM 871 CD PRO A 96 68.793 20.178 -37.166 1.00 64.13 C ATOM 872 N CYS A 97 64.454 19.885 -38.997 1.00 64.17 N ATOM 873 CA CYS A 97 63.676 19.804 -40.223 1.00 68.14 C ATOM 874 C CYS A 97 63.961 21.013 -41.115 1.00 72.19 C ATOM 875 O CYS A 97 64.024 22.147 -40.629 1.00 71.86 O ATOM 876 CB CYS A 97 62.174 19.762 -39.882 1.00 66.81 C ATOM 877 SG CYS A 97 61.014 19.551 -41.297 1.00 66.86 S ATOM 878 H CYS A 97 63.942 19.959 -38.095 1.00 0.00 H ATOM 879 N THR A 98 64.134 20.766 -42.413 1.00 76.48 N ATOM 880 CA THR A 98 64.280 21.839 -43.397 1.00 81.07 C ATOM 881 C THR A 98 63.155 21.806 -44.435 1.00 84.75 C ATOM 882 O THR A 98 63.165 22.598 -45.375 1.00 88.43 O ATOM 883 CB THR A 98 65.627 21.739 -44.162 1.00 84.26 C ATOM 884 OG1 THR A 98 66.577 21.001 -43.392 1.00 79.49 O ATOM 885 CG2 THR A 98 66.189 23.126 -44.472 1.00 88.35 C ATOM 886 HG1 THR A 98 67.431 20.944 -43.890 1.00 0.00 H ATOM 887 H THR A 98 64.166 19.778 -42.737 1.00 0.00 H ATOM 888 N CYS A 99 62.186 20.905 -44.271 1.00 84.04 N ATOM 889 CA CYS A 99 61.147 20.710 -45.300 1.00 88.42 C ATOM 890 C CYS A 99 59.883 21.577 -45.101 1.00 88.93 C ATOM 891 O CYS A 99 59.179 21.869 -46.062 1.00 92.69 O ATOM 892 CB CYS A 99 60.800 19.216 -45.459 1.00 88.12 C ATOM 893 SG CYS A 99 59.715 18.484 -44.214 1.00 83.42 S ATOM 894 H CYS A 99 62.162 20.331 -43.404 1.00 0.00 H ATOM 895 N GLY A 100 59.621 21.995 -43.867 1.00 85.38 N ATOM 896 CA GLY A 100 58.539 22.929 -43.574 1.00 86.39 C ATOM 897 C GLY A 100 57.188 22.269 -43.407 1.00 86.80 C ATOM 898 O GLY A 100 56.158 22.946 -43.464 1.00 89.46 O ATOM 899 H GLY A 100 60.207 21.644 -43.083 1.00 0.00 H ATOM 900 N SER A 101 57.182 20.956 -43.179 1.00 84.81 N ATOM 901 CA SER A 101 55.933 20.187 -43.099 1.00 85.66 C ATOM 902 C SER A 101 55.013 20.650 -41.966 1.00 83.65 C ATOM 903 O SER A 101 55.431 21.338 -41.033 1.00 80.54 O ATOM 904 CB SER A 101 56.233 18.689 -42.939 1.00 83.96 C ATOM 905 OG SER A 101 55.042 17.917 -42.909 1.00 83.48 O ATOM 906 HG SER A 101 55.273 16.960 -42.805 1.00 0.00 H ATOM 907 H SER A 101 58.088 20.461 -43.054 1.00 0.00 H ATOM 908 N SER A 102 53.745 20.281 -42.074 1.00 86.21 N ATOM 909 CA SER A 102 52.784 20.537 -41.017 1.00 85.13 C ATOM 910 C SER A 102 52.277 19.233 -40.433 1.00 83.48 C ATOM 911 O SER A 102 51.413 19.246 -39.564 1.00 82.62 O ATOM 912 CB SER A 102 51.612 21.365 -41.547 1.00 89.94 C ATOM 913 OG SER A 102 52.059 22.592 -42.102 1.00 92.60 O ATOM 914 HG SER A 102 51.281 23.105 -42.436 1.00 0.00 H ATOM 915 H SER A 102 53.430 19.796 -42.938 1.00 0.00 H ATOM 916 N ASP A 103 52.823 18.115 -40.904 1.00 83.95 N ATOM 917 CA ASP A 103 52.411 16.794 -40.452 1.00 84.54 C ATOM 918 C ASP A 103 53.397 16.311 -39.386 1.00 80.19 C ATOM 919 O ASP A 103 54.336 15.583 -39.679 1.00 79.51 O ATOM 920 CB ASP A 103 52.353 15.810 -41.635 1.00 88.37 C ATOM 921 CG ASP A 103 51.381 16.251 -42.744 1.00 93.96 C ATOM 922 OD1 ASP A 103 50.337 16.879 -42.441 1.00 96.59 O ATOM 923 OD2 ASP A 103 51.660 15.953 -43.927 1.00 94.41 O ATOM 924 H ASP A 103 53.572 18.187 -41.622 1.00 0.00 H ATOM 925 N LEU A 104 53.178 16.718 -38.143 1.00 78.13 N ATOM 926 CA LEU A 104 54.127 16.422 -37.073 1.00 74.74 C ATOM 927 C LEU A 104 53.791 15.152 -36.291 1.00 74.44 C ATOM 928 O LEU A 104 52.710 14.577 -36.427 1.00 77.32 O ATOM 929 CB LEU A 104 54.218 17.600 -36.101 1.00 72.77 C ATOM 930 CG LEU A 104 54.530 18.982 -36.680 1.00 75.00 C ATOM 931 CD1 LEU A 104 54.759 19.951 -35.530 1.00 72.45 C ATOM 932 CD2 LEU A 104 55.732 18.956 -37.629 1.00 74.91 C ATOM 933 H LEU A 104 52.316 17.257 -37.926 1.00 0.00 H ATOM 934 N TYR A 105 54.751 14.719 -35.481 1.00 71.38 N ATOM 935 CA TYR A 105 54.600 13.542 -34.643 1.00 70.99 C ATOM 936 C TYR A 105 55.322 13.775 -33.327 1.00 66.84 C ATOM 937 O TYR A 105 56.541 13.955 -33.299 1.00 63.38 O ATOM 938 CB TYR A 105 55.166 12.310 -35.340 1.00 73.57 C ATOM 939 CG TYR A 105 54.522 12.054 -36.674 1.00 78.66 C ATOM 940 CD1 TYR A 105 55.098 12.535 -37.847 1.00 80.06 C ATOM 941 CD2 TYR A 105 53.323 11.365 -36.764 1.00 81.40 C ATOM 942 CE1 TYR A 105 54.508 12.321 -39.072 1.00 83.54 C ATOM 943 CE2 TYR A 105 52.724 11.147 -37.985 1.00 86.96 C ATOM 944 CZ TYR A 105 53.320 11.630 -39.140 1.00 87.76 C ATOM 945 OH TYR A 105 52.721 11.418 -40.364 1.00 92.22 O ATOM 946 HH TYR A 105 53.275 11.825 -41.076 1.00 0.00 H ATOM 947 H TYR A 105 55.648 15.244 -35.445 1.00 0.00 H ATOM 948 N LEU A 106 54.546 13.801 -32.248 1.00 66.42 N ATOM 949 CA LEU A 106 55.078 13.972 -30.912 1.00 63.13 C ATOM 950 C LEU A 106 55.405 12.597 -30.375 1.00 62.89 C ATOM 951 O LEU A 106 54.581 11.697 -30.468 1.00 65.09 O ATOM 952 CB LEU A 106 54.050 14.663 -30.020 1.00 63.62 C ATOM 953 CG LEU A 106 54.240 14.608 -28.502 1.00 61.47 C ATOM 954 CD1 LEU A 106 55.568 15.213 -28.115 1.00 60.65 C ATOM 955 CD2 LEU A 106 53.105 15.350 -27.829 1.00 61.91 C ATOM 956 H LEU A 106 53.518 13.695 -32.368 1.00 0.00 H ATOM 957 N VAL A 107 56.613 12.431 -29.840 1.00 60.60 N ATOM 958 CA VAL A 107 57.015 11.165 -29.248 1.00 61.20 C ATOM 959 C VAL A 107 56.995 11.329 -27.757 1.00 59.76 C ATOM 960 O VAL A 107 57.679 12.204 -27.220 1.00 58.40 O ATOM 961 CB VAL A 107 58.407 10.741 -29.656 1.00 60.90 C ATOM 962 CG1 VAL A 107 58.746 9.411 -29.003 1.00 62.12 C ATOM 963 CG2 VAL A 107 58.513 10.646 -31.184 1.00 64.35 C ATOM 964 H VAL A 107 57.285 13.225 -29.846 1.00 0.00 H ATOM 965 N THR A 108 56.210 10.487 -27.088 1.00 61.30 N ATOM 966 CA THR A 108 55.991 10.632 -25.661 1.00 58.96 C ATOM 967 C THR A 108 56.866 9.687 -24.852 1.00 58.46 C ATOM 968 O THR A 108 57.620 8.872 -25.396 1.00 57.30 O ATOM 969 CB THR A 108 54.500 10.437 -25.286 1.00 60.90 C ATOM 970 OG1 THR A 108 54.100 9.081 -25.513 1.00 62.06 O ATOM 971 CG2 THR A 108 53.644 11.375 -26.099 1.00 62.17 C ATOM 972 HG1 THR A 108 53.147 8.974 -25.269 1.00 0.00 H ATOM 973 H THR A 108 55.744 9.710 -27.599 1.00 0.00 H ATOM 974 N ARG A 109 56.731 9.847 -23.539 1.00 57.72 N ATOM 975 CA ARG A 109 57.437 9.101 -22.503 1.00 57.69 C ATOM 976 C ARG A 109 57.257 7.584 -22.559 1.00 60.87 C ATOM 977 O ARG A 109 58.140 6.841 -22.156 1.00 60.91 O ATOM 978 CB ARG A 109 56.969 9.667 -21.148 1.00 57.85 C ATOM 979 CG ARG A 109 56.978 8.721 -19.983 1.00 59.66 C ATOM 980 CD ARG A 109 56.756 9.424 -18.678 1.00 55.94 C ATOM 981 NE ARG A 109 57.730 8.874 -17.751 1.00 56.29 N ATOM 982 CZ ARG A 109 58.872 9.454 -17.401 1.00 52.34 C ATOM 983 NH1 ARG A 109 59.186 10.662 -17.837 1.00 51.19 N ATOM 984 NH2 ARG A 109 59.689 8.826 -16.570 1.00 52.11 N ATOM 985 HE ARG A 109 57.515 7.949 -17.326 1.00 0.00 H ATOM 986 HH12 ARG A 109 60.085 11.100 -17.552 1.00 0.00 H ATOM 987 HH11 ARG A 109 58.534 11.174 -18.465 1.00 0.00 H ATOM 988 HH22 ARG A 109 60.586 9.270 -16.288 1.00 0.00 H ATOM 989 HH21 ARG A 109 59.434 7.889 -16.199 1.00 0.00 H ATOM 990 H ARG A 109 56.058 10.573 -23.220 1.00 0.00 H ATOM 991 N HIS A 110 56.107 7.136 -23.044 1.00 64.39 N ATOM 992 CA HIS A 110 55.804 5.709 -23.167 1.00 69.14 C ATOM 993 C HIS A 110 56.056 5.208 -24.591 1.00 70.84 C ATOM 994 O HIS A 110 55.650 4.108 -24.944 1.00 75.05 O ATOM 995 CB HIS A 110 54.341 5.442 -22.762 1.00 71.96 C ATOM 996 CG HIS A 110 53.969 6.007 -21.421 1.00 71.03 C ATOM 997 ND1 HIS A 110 54.249 5.361 -20.233 1.00 71.69 N ATOM 998 CD2 HIS A 110 53.350 7.163 -21.081 1.00 67.31 C ATOM 999 CE1 HIS A 110 53.816 6.092 -19.222 1.00 68.62 C ATOM 1000 NE2 HIS A 110 53.265 7.190 -19.710 1.00 67.32 N ATOM 1001 H HIS A 110 55.391 7.826 -23.349 1.00 0.00 H ATOM 1002 N ALA A 111 56.732 6.024 -25.395 1.00 69.06 N ATOM 1003 CA ALA A 111 57.040 5.709 -26.794 1.00 71.48 C ATOM 1004 C ALA A 111 55.821 5.717 -27.734 1.00 74.05 C ATOM 1005 O ALA A 111 55.789 4.974 -28.704 1.00 77.13 O ATOM 1006 CB ALA A 111 57.802 4.377 -26.899 1.00 74.88 C ATOM 1007 H ALA A 111 57.059 6.933 -25.011 1.00 0.00 H ATOM 1008 N ASP A 112 54.829 6.560 -27.457 1.00 73.59 N ATOM 1009 CA ASP A 112 53.726 6.763 -28.399 1.00 76.58 C ATOM 1010 C ASP A 112 54.170 7.822 -29.385 1.00 74.41 C ATOM 1011 O ASP A 112 54.752 8.836 -28.996 1.00 69.47 O ATOM 1012 CB ASP A 112 52.438 7.264 -27.729 1.00 77.19 C ATOM 1013 CG ASP A 112 52.064 6.480 -26.492 1.00 80.92 C ATOM 1014 OD1 ASP A 112 51.791 5.257 -26.598 1.00 86.61 O ATOM 1015 OD2 ASP A 112 52.027 7.110 -25.408 1.00 81.32 O ATOM 1016 H ASP A 112 54.837 7.083 -26.558 1.00 0.00 H ATOM 1017 N VAL A 113 53.889 7.575 -30.657 1.00 77.83 N ATOM 1018 CA VAL A 113 54.070 8.562 -31.702 1.00 77.06 C ATOM 1019 C VAL A 113 52.669 9.039 -32.004 1.00 79.03 C ATOM 1020 O VAL A 113 51.827 8.248 -32.414 1.00 84.26 O ATOM 1021 CB VAL A 113 54.723 7.937 -32.960 1.00 80.04 C ATOM 1022 CG1 VAL A 113 54.871 8.968 -34.071 1.00 80.15 C ATOM 1023 CG2 VAL A 113 56.088 7.327 -32.614 1.00 78.05 C ATOM 1024 H VAL A 113 53.524 6.636 -30.915 1.00 0.00 H ATOM 1025 N ILE A 114 52.406 10.320 -31.778 1.00 76.68 N ATOM 1026 CA ILE A 114 51.050 10.846 -31.921 1.00 79.48 C ATOM 1027 C ILE A 114 51.001 12.046 -32.860 1.00 78.90 C ATOM 1028 O ILE A 114 51.767 12.992 -32.700 1.00 75.59 O ATOM 1029 CB ILE A 114 50.389 11.181 -30.551 1.00 78.53 C ATOM 1030 CG1 ILE A 114 51.353 11.918 -29.624 1.00 74.61 C ATOM 1031 CG2 ILE A 114 49.936 9.904 -29.864 1.00 82.65 C ATOM 1032 CD1 ILE A 114 50.808 12.124 -28.207 1.00 74.07 C ATOM 1033 H ILE A 114 53.176 10.959 -31.495 1.00 0.00 H ATOM 1034 N PRO A 115 50.091 12.006 -33.850 1.00 82.92 N ATOM 1035 CA PRO A 115 50.051 13.038 -34.874 1.00 83.74 C ATOM 1036 C PRO A 115 49.622 14.401 -34.358 1.00 81.88 C ATOM 1037 O PRO A 115 48.666 14.513 -33.589 1.00 82.74 O ATOM 1038 CB PRO A 115 49.011 12.512 -35.876 1.00 89.19 C ATOM 1039 CG PRO A 115 48.796 11.103 -35.535 1.00 91.39 C ATOM 1040 CD PRO A 115 49.045 10.996 -34.077 1.00 87.96 C ATOM 1041 N VAL A 116 50.328 15.427 -34.813 1.00 80.39 N ATOM 1042 CA VAL A 116 50.076 16.800 -34.413 1.00 79.79 C ATOM 1043 C VAL A 116 50.029 17.648 -35.675 1.00 81.97 C ATOM 1044 O VAL A 116 50.838 17.461 -36.577 1.00 81.68 O ATOM 1045 CB VAL A 116 51.193 17.298 -33.452 1.00 74.95 C ATOM 1046 CG1 VAL A 116 51.083 18.793 -33.195 1.00 74.97 C ATOM 1047 CG2 VAL A 116 51.143 16.528 -32.142 1.00 72.36 C ATOM 1048 H VAL A 116 51.097 15.240 -35.487 1.00 0.00 H ATOM 1049 N ARG A 117 49.076 18.568 -35.744 1.00 85.17 N ATOM 1050 CA ARG A 117 48.943 19.442 -36.908 1.00 89.35 C ATOM 1051 C ARG A 117 49.539 20.814 -36.597 1.00 87.86 C ATOM 1052 O ARG A 117 49.039 21.535 -35.738 1.00 87.65 O ATOM 1053 CB ARG A 117 47.471 19.553 -37.336 1.00 94.07 C ATOM 1054 CG ARG A 117 47.161 20.687 -38.318 1.00 98.25 C ATOM 1055 CD ARG A 117 47.928 20.572 -39.627 1.00101.58 C ATOM 1056 NE ARG A 117 47.625 19.321 -40.315 1.00105.24 N ATOM 1057 CZ ARG A 117 46.492 19.069 -40.974 1.00111.97 C ATOM 1058 NH1 ARG A 117 45.524 19.981 -41.058 1.00115.63 N ATOM 1059 NH2 ARG A 117 46.320 17.886 -41.556 1.00114.55 N ATOM 1060 HE ARG A 117 48.345 18.571 -40.290 1.00 0.00 H ATOM 1061 HH12 ARG A 117 44.649 19.764 -41.576 1.00 0.00 H ATOM 1062 HH11 ARG A 117 45.644 20.910 -40.605 1.00 0.00 H ATOM 1063 HH22 ARG A 117 45.440 17.683 -42.071 1.00 0.00 H ATOM 1064 HH21 ARG A 117 47.066 17.164 -41.496 1.00 0.00 H ATOM 1065 H ARG A 117 48.409 18.670 -34.953 1.00 0.00 H ATOM 1066 N ARG A 118 50.598 21.167 -37.317 1.00 88.24 N ATOM 1067 CA ARG A 118 51.343 22.402 -37.075 1.00 87.95 C ATOM 1068 C ARG A 118 50.489 23.632 -37.301 1.00 92.19 C ATOM 1069 O ARG A 118 49.987 23.829 -38.403 1.00 97.47 O ATOM 1070 CB ARG A 118 52.542 22.462 -38.020 1.00 88.58 C ATOM 1071 CG ARG A 118 53.229 23.817 -38.107 1.00 89.37 C ATOM 1072 CD ARG A 118 54.324 23.990 -37.083 1.00 86.28 C ATOM 1073 NE ARG A 118 55.644 24.025 -37.716 1.00 86.63 N ATOM 1074 CZ ARG A 118 56.700 24.695 -37.246 1.00 86.35 C ATOM 1075 NH1 ARG A 118 56.614 25.414 -36.127 1.00 85.83 N ATOM 1076 NH2 ARG A 118 57.860 24.654 -37.901 1.00 85.79 N ATOM 1077 HE ARG A 118 55.769 23.488 -38.598 1.00 0.00 H ATOM 1078 HH12 ARG A 118 57.446 25.930 -35.775 1.00 0.00 H ATOM 1079 HH11 ARG A 118 55.715 25.459 -35.606 1.00 0.00 H ATOM 1080 HH22 ARG A 118 58.682 25.175 -37.535 1.00 0.00 H ATOM 1081 HH21 ARG A 118 57.943 24.101 -38.778 1.00 0.00 H ATOM 1082 H ARG A 118 50.910 20.539 -38.085 1.00 0.00 H ATOM 1083 N ARG A 119 50.367 24.479 -36.281 1.00 91.88 N ATOM 1084 CA ARG A 119 49.498 25.661 -36.361 1.00 96.97 C ATOM 1085 C ARG A 119 50.240 26.990 -36.465 1.00 98.32 C ATOM 1086 O ARG A 119 49.813 27.864 -37.216 1.00104.13 O ATOM 1087 CB ARG A 119 48.512 25.697 -35.188 1.00 97.40 C ATOM 1088 CG ARG A 119 47.462 24.588 -35.264 1.00100.60 C ATOM 1089 CD ARG A 119 46.031 25.109 -35.119 1.00106.70 C ATOM 1090 NE ARG A 119 45.060 24.251 -35.807 1.00109.68 N ATOM 1091 CZ ARG A 119 43.763 24.532 -35.953 1.00117.24 C ATOM 1092 NH1 ARG A 119 43.244 25.658 -35.461 1.00120.56 N ATOM 1093 NH2 ARG A 119 42.969 23.680 -36.600 1.00122.56 N ATOM 1094 HE ARG A 119 45.408 23.358 -36.211 1.00 0.00 H ATOM 1095 HH12 ARG A 119 42.231 25.861 -35.584 1.00 0.00 H ATOM 1096 HH11 ARG A 119 43.852 26.333 -34.955 1.00 0.00 H ATOM 1097 HH22 ARG A 119 41.958 23.896 -36.715 1.00 0.00 H ATOM 1098 HH21 ARG A 119 43.360 22.799 -36.990 1.00 0.00 H ATOM 1099 H ARG A 119 50.900 24.300 -35.406 1.00 0.00 H ATOM 1100 N GLY A 120 51.334 27.149 -35.724 1.00 94.40 N ATOM 1101 CA GLY A 120 52.099 28.402 -35.732 1.00 95.47 C ATOM 1102 C GLY A 120 53.591 28.145 -35.739 1.00 92.30 C ATOM 1103 O GLY A 120 54.068 27.280 -36.467 1.00 91.57 O ATOM 1104 H GLY A 120 51.656 26.364 -35.123 1.00 0.00 H ATOM 1105 N ASP A 121 54.333 28.904 -34.936 1.00 90.90 N ATOM 1106 CA ASP A 121 55.772 28.668 -34.759 1.00 87.09 C ATOM 1107 C ASP A 121 56.003 27.665 -33.639 1.00 81.43 C ATOM 1108 O ASP A 121 56.906 26.835 -33.716 1.00 78.40 O ATOM 1109 CB ASP A 121 56.512 29.972 -34.422 1.00 89.25 C ATOM 1110 CG ASP A 121 56.527 30.975 -35.585 1.00 96.78 C ATOM 1111 OD1 ASP A 121 55.941 30.689 -36.656 1.00102.22 O ATOM 1112 OD2 ASP A 121 57.131 32.062 -35.423 1.00 99.41 O ATOM 1113 H ASP A 121 53.882 29.686 -34.420 1.00 0.00 H ATOM 1114 N SER A 122 55.170 27.752 -32.604 1.00 80.15 N ATOM 1115 CA SER A 122 55.340 26.984 -31.374 1.00 75.20 C ATOM 1116 C SER A 122 54.079 26.210 -30.980 1.00 73.73 C ATOM 1117 O SER A 122 53.931 25.804 -29.834 1.00 69.39 O ATOM 1118 CB SER A 122 55.757 27.943 -30.259 1.00 74.33 C ATOM 1119 OG SER A 122 55.349 29.264 -30.566 1.00 79.57 O ATOM 1120 HG SER A 122 55.626 29.872 -29.835 1.00 0.00 H ATOM 1121 H SER A 122 54.359 28.399 -32.675 1.00 0.00 H ATOM 1122 N ARG A 123 53.196 25.977 -31.947 1.00 77.16 N ATOM 1123 CA ARG A 123 51.855 25.459 -31.659 1.00 78.76 C ATOM 1124 C ARG A 123 51.359 24.414 -32.642 1.00 79.14 C ATOM 1125 O ARG A 123 51.623 24.487 -33.842 1.00 80.89 O ATOM 1126 CB ARG A 123 50.849 26.608 -31.617 1.00 84.10 C ATOM 1127 CG ARG A 123 50.514 27.076 -30.223 1.00 85.81 C ATOM 1128 CD ARG A 123 49.885 25.950 -29.382 1.00 87.91 C ATOM 1129 NE ARG A 123 48.999 26.469 -28.335 1.00 91.29 N ATOM 1130 CZ ARG A 123 49.403 27.174 -27.276 1.00 91.94 C ATOM 1131 NH1 ARG A 123 50.686 27.468 -27.103 1.00 90.44 N ATOM 1132 NH2 ARG A 123 48.517 27.600 -26.385 1.00 94.16 N ATOM 1133 HE ARG A 123 47.981 26.273 -28.424 1.00 0.00 H ATOM 1134 HH12 ARG A 123 50.986 28.018 -26.273 1.00 0.00 H ATOM 1135 HH11 ARG A 123 51.391 27.148 -27.797 1.00 0.00 H ATOM 1136 HH22 ARG A 123 48.832 28.149 -25.560 1.00 0.00 H ATOM 1137 HH21 ARG A 123 47.507 27.385 -26.512 1.00 0.00 H ATOM 1138 H ARG A 123 53.464 26.167 -32.934 1.00 0.00 H ATOM 1139 N GLY A 124 50.616 23.447 -32.116 1.00 77.73 N ATOM 1140 CA GLY A 124 50.062 22.383 -32.932 1.00 78.92 C ATOM 1141 C GLY A 124 48.917 21.678 -32.243 1.00 78.83 C ATOM 1142 O GLY A 124 49.005 21.361 -31.057 1.00 75.04 O ATOM 1143 H GLY A 124 50.427 23.453 -31.093 1.00 0.00 H ATOM 1144 N SER A 125 47.846 21.429 -32.992 1.00 82.62 N ATOM 1145 CA SER A 125 46.657 20.780 -32.444 1.00 84.70 C ATOM 1146 C SER A 125 46.679 19.277 -32.685 1.00 83.18 C ATOM 1147 O SER A 125 47.130 18.808 -33.725 1.00 82.37 O ATOM 1148 CB SER A 125 45.386 21.398 -33.031 1.00 90.18 C ATOM 1149 OG SER A 125 45.409 21.381 -34.446 1.00 94.18 O ATOM 1150 HG SER A 125 45.479 20.446 -34.763 1.00 0.00 H ATOM 1151 H SER A 125 47.855 21.704 -33.995 1.00 0.00 H ATOM 1152 N LEU A 126 46.193 18.535 -31.698 1.00 83.19 N ATOM 1153 CA LEU A 126 46.111 17.081 -31.769 1.00 84.94 C ATOM 1154 C LEU A 126 44.955 16.631 -32.668 1.00 91.36 C ATOM 1155 O LEU A 126 43.811 17.100 -32.541 1.00 95.16 O ATOM 1156 CB LEU A 126 45.916 16.489 -30.367 1.00 83.49 C ATOM 1157 CG LEU A 126 47.142 16.231 -29.489 1.00 79.78 C ATOM 1158 CD1 LEU A 126 48.224 17.304 -29.624 1.00 77.08 C ATOM 1159 CD2 LEU A 126 46.699 16.102 -28.037 1.00 78.94 C ATOM 1160 H LEU A 126 45.856 19.011 -30.837 1.00 0.00 H ATOM 1161 N LEU A 127 45.258 15.695 -33.561 1.00 92.69 N ATOM 1162 CA LEU A 127 44.265 15.152 -34.474 1.00 97.93 C ATOM 1163 C LEU A 127 43.236 14.312 -33.718 1.00101.04 C ATOM 1164 O LEU A 127 42.045 14.367 -34.018 1.00107.07 O ATOM 1165 CB LEU A 127 44.960 14.333 -35.560 1.00 98.39 C ATOM 1166 CG LEU A 127 45.971 15.106 -36.416 1.00 96.61 C ATOM 1167 CD1 LEU A 127 46.452 14.245 -37.570 1.00 98.75 C ATOM 1168 CD2 LEU A 127 45.386 16.412 -36.943 1.00 99.78 C ATOM 1169 H LEU A 127 46.234 15.340 -33.608 1.00 0.00 H ATOM 1170 N SER A 128 43.702 13.542 -32.741 1.00 98.26 N ATOM 1171 CA SER A 128 42.829 12.839 -31.810 1.00100.61 C ATOM 1172 C SER A 128 43.158 13.352 -30.412 1.00 96.94 C ATOM 1173 O SER A 128 44.287 13.161 -29.941 1.00 91.60 O ATOM 1174 CB SER A 128 43.054 11.329 -31.890 1.00101.82 C ATOM 1175 OG SER A 128 42.749 10.831 -33.182 1.00104.69 O ATOM 1176 HG SER A 128 42.904 9.853 -33.203 1.00 0.00 H ATOM 1177 H SER A 128 44.731 13.437 -32.636 1.00 0.00 H ATOM 1178 N PRO A 129 42.191 14.026 -29.748 1.00 99.55 N ATOM 1179 CA PRO A 129 42.464 14.530 -28.396 1.00 96.62 C ATOM 1180 C PRO A 129 42.712 13.391 -27.418 1.00 96.02 C ATOM 1181 O PRO A 129 41.996 12.399 -27.447 1.00100.82 O ATOM 1182 CB PRO A 129 41.178 15.286 -28.022 1.00100.59 C ATOM 1183 CG PRO A 129 40.454 15.497 -29.295 1.00104.59 C ATOM 1184 CD PRO A 129 40.824 14.362 -30.187 1.00104.92 C ATOM 1185 N ARG A 130 43.724 13.526 -26.573 1.00 91.71 N ATOM 1186 CA ARG A 130 44.027 12.503 -25.581 1.00 91.26 C ATOM 1187 C ARG A 130 43.737 13.015 -24.175 1.00 90.65 C ATOM 1188 O ARG A 130 43.475 14.202 -23.983 1.00 90.16 O ATOM 1189 CB ARG A 130 45.495 12.073 -25.691 1.00 87.65 C ATOM 1190 CG ARG A 130 45.717 10.787 -26.479 1.00 90.66 C ATOM 1191 CD ARG A 130 45.811 11.010 -27.979 1.00 92.93 C ATOM 1192 NE ARG A 130 46.407 9.849 -28.640 1.00 94.36 N ATOM 1193 CZ ARG A 130 46.663 9.752 -29.946 1.00 96.81 C ATOM 1194 NH1 ARG A 130 46.384 10.749 -30.783 1.00 97.04 N ATOM 1195 NH2 ARG A 130 47.213 8.641 -30.422 1.00 98.17 N ATOM 1196 HE ARG A 130 46.651 9.033 -28.043 1.00 0.00 H ATOM 1197 HH12 ARG A 130 46.593 10.650 -31.797 1.00 0.00 H ATOM 1198 HH11 ARG A 130 45.958 11.626 -30.423 1.00 0.00 H ATOM 1199 HH22 ARG A 130 47.416 8.556 -31.438 1.00 0.00 H ATOM 1200 HH21 ARG A 130 47.440 7.856 -29.778 1.00 0.00 H ATOM 1201 H ARG A 130 44.315 14.381 -26.619 1.00 0.00 H ATOM 1202 N PRO A 131 43.776 12.115 -23.182 1.00 90.86 N ATOM 1203 CA PRO A 131 43.784 12.590 -21.808 1.00 89.60 C ATOM 1204 C PRO A 131 45.121 13.257 -21.485 1.00 83.49 C ATOM 1205 O PRO A 131 46.129 12.977 -22.126 1.00 79.29 O ATOM 1206 CB PRO A 131 43.600 11.312 -20.978 1.00 92.06 C ATOM 1207 CG PRO A 131 43.246 10.237 -21.952 1.00 95.79 C ATOM 1208 CD PRO A 131 43.817 10.647 -23.257 1.00 93.19 C ATOM 1209 N VAL A 132 45.109 14.143 -20.502 1.00 82.53 N ATOM 1210 CA VAL A 132 46.305 14.844 -20.086 1.00 77.88 C ATOM 1211 C VAL A 132 47.336 13.883 -19.485 1.00 75.38 C ATOM 1212 O VAL A 132 48.527 14.024 -19.731 1.00 71.61 O ATOM 1213 CB VAL A 132 45.949 15.978 -19.096 1.00 78.56 C ATOM 1214 CG1 VAL A 132 45.471 15.431 -17.751 1.00 82.12 C ATOM 1215 CG2 VAL A 132 47.118 16.886 -18.899 1.00 75.43 C ATOM 1216 H VAL A 132 44.213 14.342 -20.013 1.00 0.00 H ATOM 1217 N SER A 133 46.871 12.893 -18.727 1.00 78.46 N ATOM 1218 CA SER A 133 47.745 11.895 -18.090 1.00 77.38 C ATOM 1219 C SER A 133 48.531 11.072 -19.102 1.00 76.11 C ATOM 1220 O SER A 133 49.605 10.558 -18.799 1.00 74.21 O ATOM 1221 CB SER A 133 46.913 10.941 -17.233 1.00 82.26 C ATOM 1222 OG SER A 133 46.022 10.181 -18.032 1.00 87.18 O ATOM 1223 HG SER A 133 45.497 9.573 -17.453 1.00 0.00 H ATOM 1224 H SER A 133 45.844 12.821 -18.578 1.00 0.00 H ATOM 1225 N TYR A 134 47.958 10.940 -20.293 1.00 78.14 N ATOM 1226 CA TYR A 134 48.584 10.275 -21.431 1.00 77.02 C ATOM 1227 C TYR A 134 49.816 11.034 -21.875 1.00 71.63 C ATOM 1228 O TYR A 134 50.731 10.442 -22.441 1.00 71.00 O ATOM 1229 CB TYR A 134 47.580 10.233 -22.587 1.00 81.84 C ATOM 1230 CG TYR A 134 47.909 9.307 -23.734 1.00 83.49 C ATOM 1231 CD1 TYR A 134 47.394 8.009 -23.778 1.00 91.29 C ATOM 1232 CD2 TYR A 134 48.682 9.742 -24.806 1.00 81.76 C ATOM 1233 CE1 TYR A 134 47.675 7.154 -24.854 1.00 92.89 C ATOM 1234 CE2 TYR A 134 48.969 8.900 -25.884 1.00 83.66 C ATOM 1235 CZ TYR A 134 48.471 7.608 -25.902 1.00 89.05 C ATOM 1236 OH TYR A 134 48.759 6.773 -26.965 1.00 90.72 O ATOM 1237 HH TYR A 134 49.739 6.654 -27.033 1.00 0.00 H ATOM 1238 H TYR A 134 47.005 11.335 -20.422 1.00 0.00 H ATOM 1239 N LEU A 135 49.823 12.344 -21.628 1.00 68.33 N ATOM 1240 CA LEU A 135 50.918 13.230 -22.043 1.00 64.12 C ATOM 1241 C LEU A 135 51.875 13.654 -20.923 1.00 59.79 C ATOM 1242 O LEU A 135 53.029 13.889 -21.189 1.00 57.82 O ATOM 1243 CB LEU A 135 50.336 14.487 -22.692 1.00 64.88 C ATOM 1244 CG LEU A 135 49.460 14.261 -23.924 1.00 68.01 C ATOM 1245 CD1 LEU A 135 48.780 15.557 -24.331 1.00 68.41 C ATOM 1246 CD2 LEU A 135 50.298 13.703 -25.074 1.00 68.31 C ATOM 1247 H LEU A 135 49.016 12.757 -21.118 1.00 0.00 H ATOM 1248 N LYS A 136 51.381 13.774 -19.694 1.00 59.51 N ATOM 1249 CA LYS A 136 52.188 14.197 -18.539 1.00 56.21 C ATOM 1250 C LYS A 136 53.486 13.423 -18.384 1.00 53.06 C ATOM 1251 O LYS A 136 53.474 12.210 -18.320 1.00 54.70 O ATOM 1252 CB LYS A 136 51.383 14.065 -17.225 1.00 58.21 C ATOM 1253 CG LYS A 136 50.929 15.391 -16.602 1.00 56.61 C ATOM 1254 CD LYS A 136 52.123 16.221 -16.138 1.00 53.13 C ATOM 1255 CE LYS A 136 51.706 17.523 -15.497 1.00 54.87 C ATOM 1256 NZ LYS A 136 52.507 18.673 -15.966 1.00 49.98 N ATOM 1257 HZ1 LYS A 136 53.509 18.512 -15.738 1.00 0.00 H ATOM 1258 HZ2 LYS A 136 52.396 18.774 -16.995 1.00 0.00 H ATOM 1259 HZ3 LYS A 136 52.178 19.539 -15.494 1.00 0.00 H ATOM 1260 H LYS A 136 50.375 13.558 -19.542 1.00 0.00 H ATOM 1261 N GLY A 137 54.597 14.138 -18.287 1.00 49.63 N ATOM 1262 CA GLY A 137 55.910 13.515 -18.175 1.00 48.34 C ATOM 1263 C GLY A 137 56.692 13.470 -19.481 1.00 46.59 C ATOM 1264 O GLY A 137 57.772 12.886 -19.528 1.00 45.60 O ATOM 1265 H GLY A 137 54.530 15.176 -18.291 1.00 0.00 H ATOM 1266 N SER A 138 56.165 14.089 -20.536 1.00 45.77 N ATOM 1267 CA SER A 138 56.814 14.053 -21.839 1.00 45.83 C ATOM 1268 C SER A 138 57.498 15.369 -22.230 1.00 43.98 C ATOM 1269 O SER A 138 58.138 15.446 -23.280 1.00 40.90 O ATOM 1270 CB SER A 138 55.804 13.652 -22.898 1.00 48.22 C ATOM 1271 OG SER A 138 55.329 12.347 -22.622 1.00 53.33 O ATOM 1272 HG SER A 138 54.898 12.336 -21.731 1.00 0.00 H ATOM 1273 H SER A 138 55.271 14.609 -20.427 1.00 0.00 H ATOM 1274 N SER A 139 57.373 16.400 -21.387 1.00 43.93 N ATOM 1275 CA SER A 139 58.060 17.662 -21.648 1.00 42.05 C ATOM 1276 C SER A 139 59.530 17.371 -21.936 1.00 40.20 C ATOM 1277 O SER A 139 60.144 16.477 -21.327 1.00 37.21 O ATOM 1278 CB SER A 139 57.926 18.648 -20.484 1.00 41.02 C ATOM 1279 OG SER A 139 58.432 18.094 -19.277 1.00 39.56 O ATOM 1280 HG SER A 139 57.926 17.273 -19.055 1.00 0.00 H ATOM 1281 H SER A 139 56.781 16.302 -20.538 1.00 0.00 H ATOM 1282 N GLY A 140 60.067 18.127 -22.887 1.00 40.17 N ATOM 1283 CA GLY A 140 61.377 17.858 -23.447 1.00 40.55 C ATOM 1284 C GLY A 140 61.389 16.742 -24.473 1.00 41.26 C ATOM 1285 O GLY A 140 62.435 16.376 -24.961 1.00 42.44 O ATOM 1286 H GLY A 140 59.528 18.942 -23.243 1.00 0.00 H ATOM 1287 N GLY A 141 60.229 16.182 -24.782 1.00 43.61 N ATOM 1288 CA GLY A 141 60.099 15.176 -25.834 1.00 45.11 C ATOM 1289 C GLY A 141 60.075 15.881 -27.180 1.00 46.22 C ATOM 1290 O GLY A 141 59.743 17.070 -27.250 1.00 45.49 O ATOM 1291 H GLY A 141 59.379 16.469 -24.256 1.00 0.00 H ATOM 1292 N PRO A 142 60.436 15.161 -28.256 1.00 47.57 N ATOM 1293 CA PRO A 142 60.589 15.765 -29.566 1.00 48.72 C ATOM 1294 C PRO A 142 59.298 15.880 -30.389 1.00 50.40 C ATOM 1295 O PRO A 142 58.413 15.026 -30.301 1.00 50.77 O ATOM 1296 CB PRO A 142 61.536 14.793 -30.258 1.00 49.56 C ATOM 1297 CG PRO A 142 61.120 13.480 -29.742 1.00 50.27 C ATOM 1298 CD PRO A 142 60.736 13.717 -28.302 1.00 49.21 C ATOM 1299 N LEU A 143 59.211 16.933 -31.189 1.00 51.21 N ATOM 1300 CA LEU A 143 58.286 16.951 -32.309 1.00 54.75 C ATOM 1301 C LEU A 143 59.063 16.724 -33.601 1.00 56.31 C ATOM 1302 O LEU A 143 60.004 17.453 -33.909 1.00 55.64 O ATOM 1303 CB LEU A 143 57.500 18.257 -32.366 1.00 56.03 C ATOM 1304 CG LEU A 143 56.388 18.309 -31.314 1.00 56.62 C ATOM 1305 CD1 LEU A 143 56.841 19.118 -30.089 1.00 52.90 C ATOM 1306 CD2 LEU A 143 55.117 18.878 -31.925 1.00 59.90 C ATOM 1307 H LEU A 143 59.815 17.761 -31.012 1.00 0.00 H ATOM 1308 N LEU A 144 58.654 15.700 -34.345 1.00 58.38 N ATOM 1309 CA LEU A 144 59.336 15.294 -35.559 1.00 59.92 C ATOM 1310 C LEU A 144 58.474 15.556 -36.794 1.00 63.25 C ATOM 1311 O LEU A 144 57.244 15.444 -36.738 1.00 64.23 O ATOM 1312 CB LEU A 144 59.678 13.803 -35.497 1.00 60.39 C ATOM 1313 CG LEU A 144 60.314 13.290 -34.210 1.00 57.29 C ATOM 1314 CD1 LEU A 144 60.382 11.783 -34.230 1.00 60.04 C ATOM 1315 CD2 LEU A 144 61.688 13.880 -34.021 1.00 55.96 C ATOM 1316 H LEU A 144 57.812 15.169 -34.044 1.00 0.00 H ATOM 1317 N CYS A 145 59.143 15.889 -37.902 1.00 64.74 N ATOM 1318 CA CYS A 145 58.525 15.967 -39.229 1.00 67.47 C ATOM 1319 C CYS A 145 58.409 14.546 -39.774 1.00 70.83 C ATOM 1320 O CYS A 145 58.938 13.614 -39.175 1.00 70.22 O ATOM 1321 CB CYS A 145 59.361 16.864 -40.164 1.00 68.28 C ATOM 1322 SG CYS A 145 60.750 16.080 -41.067 1.00 56.41 S ATOM 1323 H CYS A 145 60.157 16.104 -37.818 1.00 0.00 H ATOM 1324 N PRO A 146 57.718 14.364 -40.908 1.00 75.82 N ATOM 1325 CA PRO A 146 57.558 13.014 -41.470 1.00 79.52 C ATOM 1326 C PRO A 146 58.859 12.250 -41.716 1.00 80.48 C ATOM 1327 O PRO A 146 58.877 11.021 -41.622 1.00 81.84 O ATOM 1328 CB PRO A 146 56.850 13.279 -42.794 1.00 84.39 C ATOM 1329 CG PRO A 146 56.110 14.564 -42.559 1.00 83.65 C ATOM 1330 CD PRO A 146 57.030 15.379 -41.724 1.00 78.32 C ATOM 1331 N SER A 147 59.935 12.972 -42.019 1.00 80.54 N ATOM 1332 CA SER A 147 61.225 12.348 -42.312 1.00 82.19 C ATOM 1333 C SER A 147 62.069 12.153 -41.042 1.00 78.25 C ATOM 1334 O SER A 147 63.259 11.844 -41.117 1.00 78.49 O ATOM 1335 CB SER A 147 61.982 13.154 -43.384 1.00 84.73 C ATOM 1336 OG SER A 147 62.365 14.443 -42.927 1.00 83.60 O ATOM 1337 HG SER A 147 61.557 14.956 -42.674 1.00 0.00 H ATOM 1338 H SER A 147 59.857 14.009 -42.048 1.00 0.00 H ATOM 1339 N GLY A 148 61.444 12.327 -39.881 1.00 74.92 N ATOM 1340 CA GLY A 148 62.079 12.028 -38.604 1.00 71.68 C ATOM 1341 C GLY A 148 63.019 13.103 -38.089 1.00 69.03 C ATOM 1342 O GLY A 148 63.804 12.850 -37.168 1.00 66.67 O ATOM 1343 H GLY A 148 60.469 12.689 -39.885 1.00 0.00 H ATOM 1344 N HIS A 149 62.938 14.300 -38.671 1.00 69.48 N ATOM 1345 CA HIS A 149 63.797 15.420 -38.279 1.00 67.62 C ATOM 1346 C HIS A 149 63.091 16.257 -37.221 1.00 64.60 C ATOM 1347 O HIS A 149 61.871 16.262 -37.162 1.00 64.91 O ATOM 1348 CB HIS A 149 64.173 16.269 -39.499 1.00 70.85 C ATOM 1349 CG HIS A 149 65.113 15.579 -40.442 1.00 74.33 C ATOM 1350 ND1 HIS A 149 66.396 16.028 -40.676 1.00 76.12 N ATOM 1351 CD2 HIS A 149 64.965 14.457 -41.187 1.00 76.41 C ATOM 1352 CE1 HIS A 149 66.994 15.218 -41.531 1.00 80.46 C ATOM 1353 NE2 HIS A 149 66.149 14.253 -41.852 1.00 81.25 N ATOM 1354 H HIS A 149 62.241 14.443 -39.429 1.00 0.00 H ATOM 1355 N ALA A 150 63.868 16.956 -36.394 1.00 61.80 N ATOM 1356 CA ALA A 150 63.345 17.684 -35.240 1.00 58.53 C ATOM 1357 C ALA A 150 62.782 19.054 -35.611 1.00 59.13 C ATOM 1358 O ALA A 150 63.455 19.832 -36.272 1.00 60.18 O ATOM 1359 CB ALA A 150 64.450 17.850 -34.197 1.00 55.83 C ATOM 1360 H ALA A 150 64.891 16.985 -36.578 1.00 0.00 H ATOM 1361 N VAL A 151 61.561 19.358 -35.158 1.00 59.08 N ATOM 1362 CA VAL A 151 60.983 20.710 -35.322 1.00 60.52 C ATOM 1363 C VAL A 151 60.795 21.474 -34.007 1.00 57.36 C ATOM 1364 O VAL A 151 60.603 22.687 -34.021 1.00 58.97 O ATOM 1365 CB VAL A 151 59.628 20.702 -36.111 1.00 64.01 C ATOM 1366 CG1 VAL A 151 59.743 19.877 -37.394 1.00 66.18 C ATOM 1367 CG2 VAL A 151 58.479 20.197 -35.245 1.00 64.63 C ATOM 1368 H VAL A 151 61.003 18.624 -34.677 1.00 0.00 H ATOM 1369 N GLY A 152 60.842 20.775 -32.879 1.00 54.54 N ATOM 1370 CA GLY A 152 60.649 21.417 -31.572 1.00 52.51 C ATOM 1371 C GLY A 152 60.607 20.445 -30.404 1.00 48.84 C ATOM 1372 O GLY A 152 60.501 19.232 -30.583 1.00 46.89 O ATOM 1373 H GLY A 152 61.019 19.751 -32.922 1.00 0.00 H ATOM 1374 N ILE A 153 60.712 20.970 -29.193 1.00 47.75 N ATOM 1375 CA ILE A 153 60.586 20.113 -28.018 1.00 46.39 C ATOM 1376 C ILE A 153 59.313 20.477 -27.264 1.00 46.61 C ATOM 1377 O ILE A 153 58.985 21.660 -27.116 1.00 48.20 O ATOM 1378 CB ILE A 153 61.857 20.123 -27.120 1.00 44.83 C ATOM 1379 CG1 ILE A 153 61.992 21.414 -26.308 1.00 45.54 C ATOM 1380 CG2 ILE A 153 63.099 19.918 -27.980 1.00 45.78 C ATOM 1381 CD1 ILE A 153 63.027 21.311 -25.163 1.00 43.21 C ATOM 1382 H ILE A 153 60.884 21.989 -29.079 1.00 0.00 H ATOM 1383 N PHE A 154 58.601 19.442 -26.821 1.00 45.81 N ATOM 1384 CA PHE A 154 57.317 19.565 -26.132 1.00 46.23 C ATOM 1385 C PHE A 154 57.450 20.362 -24.835 1.00 44.74 C ATOM 1386 O PHE A 154 58.258 20.030 -23.982 1.00 43.48 O ATOM 1387 CB PHE A 154 56.782 18.151 -25.850 1.00 45.83 C ATOM 1388 CG PHE A 154 55.370 18.102 -25.302 1.00 47.11 C ATOM 1389 CD1 PHE A 154 54.445 19.098 -25.569 1.00 47.62 C ATOM 1390 CD2 PHE A 154 54.966 17.016 -24.549 1.00 44.72 C ATOM 1391 CE1 PHE A 154 53.167 19.020 -25.063 1.00 50.72 C ATOM 1392 CE2 PHE A 154 53.705 16.934 -24.052 1.00 48.45 C ATOM 1393 CZ PHE A 154 52.792 17.935 -24.310 1.00 51.12 C ATOM 1394 H PHE A 154 58.982 18.487 -26.975 1.00 0.00 H ATOM 1395 N ARG A 155 56.649 21.410 -24.695 1.00 47.06 N ATOM 1396 CA ARG A 155 56.707 22.304 -23.539 1.00 48.08 C ATOM 1397 C ARG A 155 55.455 22.253 -22.643 1.00 50.63 C ATOM 1398 O ARG A 155 55.551 22.193 -21.415 1.00 50.95 O ATOM 1399 CB ARG A 155 56.876 23.724 -24.045 1.00 49.05 C ATOM 1400 CG ARG A 155 57.352 24.686 -23.010 1.00 48.72 C ATOM 1401 CD ARG A 155 56.974 26.088 -23.403 1.00 54.09 C ATOM 1402 NE ARG A 155 57.849 26.686 -24.402 1.00 53.98 N ATOM 1403 CZ ARG A 155 57.509 27.677 -25.227 1.00 58.82 C ATOM 1404 NH1 ARG A 155 56.288 28.196 -25.235 1.00 62.66 N ATOM 1405 NH2 ARG A 155 58.402 28.158 -26.072 1.00 64.24 N ATOM 1406 HE ARG A 155 58.816 26.310 -24.478 1.00 0.00 H ATOM 1407 HH12 ARG A 155 56.056 28.969 -25.891 1.00 0.00 H ATOM 1408 HH11 ARG A 155 55.563 27.830 -24.585 1.00 0.00 H ATOM 1409 HH22 ARG A 155 58.143 28.931 -26.718 1.00 0.00 H ATOM 1410 HH21 ARG A 155 59.364 27.764 -26.092 1.00 0.00 H ATOM 1411 H ARG A 155 55.949 21.604 -25.440 1.00 0.00 H ATOM 1412 N ALA A 156 54.283 22.315 -23.260 1.00 53.34 N ATOM 1413 CA ALA A 156 53.041 22.446 -22.518 1.00 55.59 C ATOM 1414 C ALA A 156 51.868 22.008 -23.368 1.00 58.58 C ATOM 1415 O ALA A 156 51.999 21.773 -24.565 1.00 58.49 O ATOM 1416 CB ALA A 156 52.849 23.885 -22.086 1.00 56.91 C ATOM 1417 H ALA A 156 54.252 22.269 -24.299 1.00 0.00 H ATOM 1418 N ALA A 157 50.713 21.909 -22.733 1.00 61.78 N ATOM 1419 CA ALA A 157 49.484 21.581 -23.435 1.00 65.74 C ATOM 1420 C ALA A 157 48.369 22.579 -23.117 1.00 69.94 C ATOM 1421 O ALA A 157 48.389 23.276 -22.094 1.00 68.56 O ATOM 1422 CB ALA A 157 49.042 20.168 -23.087 1.00 65.56 C ATOM 1423 H ALA A 157 50.683 22.070 -21.706 1.00 0.00 H ATOM 1424 N VAL A 158 47.410 22.636 -24.033 1.00 74.70 N ATOM 1425 CA VAL A 158 46.163 23.360 -23.841 1.00 80.37 C ATOM 1426 C VAL A 158 45.087 22.281 -23.796 1.00 83.84 C ATOM 1427 O VAL A 158 45.072 21.384 -24.648 1.00 83.45 O ATOM 1428 CB VAL A 158 45.906 24.458 -24.942 1.00 83.32 C ATOM 1429 CG1 VAL A 158 46.830 24.292 -26.138 1.00 81.85 C ATOM 1430 CG2 VAL A 158 44.441 24.499 -25.388 1.00 88.12 C ATOM 1431 H VAL A 158 47.558 22.138 -24.934 1.00 0.00 H ATOM 1432 N CYS A 159 44.219 22.362 -22.782 1.00 87.48 N ATOM 1433 CA CYS A 159 43.252 21.299 -22.493 1.00 91.08 C ATOM 1434 C CYS A 159 42.109 21.740 -21.580 1.00 96.51 C ATOM 1435 O CYS A 159 42.156 22.819 -20.988 1.00 98.17 O ATOM 1436 CB CYS A 159 43.958 20.091 -21.871 1.00 88.27 C ATOM 1437 SG CYS A 159 45.337 20.440 -20.791 1.00 84.60 S ATOM 1438 H CYS A 159 44.230 23.208 -22.178 1.00 0.00 H ATOM 1439 N THR A 160 41.090 20.886 -21.472 1.00100.09 N ATOM 1440 CA THR A 160 39.868 21.213 -20.751 1.00105.01 C ATOM 1441 C THR A 160 39.270 19.985 -20.051 1.00107.24 C ATOM 1442 O THR A 160 38.905 19.014 -20.702 1.00108.65 O ATOM 1443 CB THR A 160 38.836 21.804 -21.720 1.00110.49 C ATOM 1444 OG1 THR A 160 39.480 22.769 -22.562 1.00107.83 O ATOM 1445 CG2 THR A 160 37.679 22.465 -20.957 1.00116.29 C ATOM 1446 HG1 THR A 160 39.863 23.490 -22.002 1.00 0.00 H ATOM 1447 H THR A 160 41.171 19.951 -21.920 1.00 0.00 H ATOM 1448 N ARG A 161 39.165 20.056 -18.724 1.00107.97 N ATOM 1449 CA ARG A 161 38.646 18.961 -17.888 1.00109.93 C ATOM 1450 C ARG A 161 39.458 17.661 -18.015 1.00106.18 C ATOM 1451 O ARG A 161 38.910 16.565 -17.893 1.00109.74 O ATOM 1452 CB ARG A 161 37.153 18.717 -18.169 1.00117.06 C ATOM 1453 CG ARG A 161 36.268 19.912 -17.828 1.00122.17 C ATOM 1454 CD ARG A 161 34.795 19.648 -18.100 1.00129.35 C ATOM 1455 NE ARG A 161 33.960 20.782 -17.704 1.00134.80 N ATOM 1456 CZ ARG A 161 32.636 20.853 -17.881 1.00145.39 C ATOM 1457 NH1 ARG A 161 31.970 19.855 -18.457 1.00149.23 N ATOM 1458 NH2 ARG A 161 31.958 21.929 -17.484 1.00149.79 N ATOM 1459 HE ARG A 161 34.430 21.592 -17.252 1.00 0.00 H ATOM 1460 HH12 ARG A 161 30.941 19.924 -18.588 1.00 0.00 H ATOM 1461 HH11 ARG A 161 32.479 19.006 -18.776 1.00 0.00 H ATOM 1462 HH22 ARG A 161 30.929 21.976 -17.625 1.00 0.00 H ATOM 1463 HH21 ARG A 161 32.458 22.721 -17.033 1.00 0.00 H ATOM 1464 H ARG A 161 39.466 20.933 -18.253 1.00 0.00 H ATOM 1465 N GLY A 162 40.762 17.792 -18.247 1.00 99.51 N ATOM 1466 CA GLY A 162 41.661 16.640 -18.282 1.00 95.69 C ATOM 1467 C GLY A 162 41.877 16.008 -19.647 1.00 94.76 C ATOM 1468 O GLY A 162 42.473 14.929 -19.737 1.00 93.76 O ATOM 1469 H GLY A 162 41.153 18.742 -18.408 1.00 0.00 H ATOM 1470 N VAL A 163 41.420 16.676 -20.709 1.00 95.17 N ATOM 1471 CA VAL A 163 41.624 16.188 -22.086 1.00 93.92 C ATOM 1472 C VAL A 163 42.416 17.188 -22.958 1.00 89.32 C ATOM 1473 O VAL A 163 41.970 18.309 -23.218 1.00 90.12 O ATOM 1474 CB VAL A 163 40.278 15.775 -22.765 1.00 99.65 C ATOM 1475 CG1 VAL A 163 39.176 16.740 -22.433 1.00103.94 C ATOM 1476 CG2 VAL A 163 40.431 15.642 -24.285 1.00100.52 C ATOM 1477 H VAL A 163 40.905 17.567 -20.561 1.00 0.00 H ATOM 1478 N ALA A 164 43.581 16.748 -23.427 1.00 84.37 N ATOM 1479 CA ALA A 164 44.505 17.606 -24.169 1.00 81.10 C ATOM 1480 C ALA A 164 44.102 17.803 -25.628 1.00 83.01 C ATOM 1481 O ALA A 164 44.055 16.840 -26.389 1.00 83.74 O ATOM 1482 CB ALA A 164 45.898 17.049 -24.082 1.00 76.14 C ATOM 1483 H ALA A 164 43.845 15.756 -23.260 1.00 0.00 H ATOM 1484 N LYS A 165 43.832 19.055 -26.007 1.00 84.01 N ATOM 1485 CA LYS A 165 43.410 19.399 -27.371 1.00 86.92 C ATOM 1486 C LYS A 165 44.532 19.982 -28.257 1.00 84.01 C ATOM 1487 O LYS A 165 44.407 19.997 -29.484 1.00 86.67 O ATOM 1488 CB LYS A 165 42.217 20.357 -27.327 1.00 91.43 C ATOM 1489 CG LYS A 165 40.970 19.718 -26.738 1.00 96.76 C ATOM 1490 CD LYS A 165 39.819 20.702 -26.624 1.00101.57 C ATOM 1491 CE LYS A 165 38.655 20.103 -25.857 1.00105.90 C ATOM 1492 NZ LYS A 165 37.364 20.786 -26.185 1.00113.14 N ATOM 1493 HZ1 LYS A 165 37.434 21.794 -25.939 1.00 0.00 H ATOM 1494 HZ2 LYS A 165 37.171 20.689 -27.202 1.00 0.00 H ATOM 1495 HZ3 LYS A 165 36.593 20.348 -25.641 1.00 0.00 H ATOM 1496 H LYS A 165 43.924 19.818 -25.307 1.00 0.00 H ATOM 1497 N ALA A 166 45.614 20.467 -27.655 1.00 78.61 N ATOM 1498 CA ALA A 166 46.714 21.018 -28.436 1.00 76.16 C ATOM 1499 C ALA A 166 48.022 21.085 -27.628 1.00 71.06 C ATOM 1500 O ALA A 166 48.009 21.001 -26.400 1.00 69.74 O ATOM 1501 CB ALA A 166 46.329 22.388 -28.984 1.00 78.46 C ATOM 1502 H ALA A 166 45.676 20.453 -26.617 1.00 0.00 H ATOM 1503 N VAL A 167 49.146 21.221 -28.325 1.00 68.46 N ATOM 1504 CA VAL A 167 50.454 21.221 -27.674 1.00 64.32 C ATOM 1505 C VAL A 167 51.277 22.445 -28.048 1.00 64.09 C ATOM 1506 O VAL A 167 51.280 22.876 -29.203 1.00 66.55 O ATOM 1507 CB VAL A 167 51.294 19.941 -27.993 1.00 61.51 C ATOM 1508 CG1 VAL A 167 50.667 18.707 -27.361 1.00 61.12 C ATOM 1509 CG2 VAL A 167 51.497 19.747 -29.494 1.00 62.48 C ATOM 1510 H VAL A 167 49.093 21.330 -29.358 1.00 0.00 H ATOM 1511 N ASP A 168 51.959 22.996 -27.049 1.00 61.97 N ATOM 1512 CA ASP A 168 52.927 24.051 -27.244 1.00 61.35 C ATOM 1513 C ASP A 168 54.307 23.414 -27.193 1.00 58.32 C ATOM 1514 O ASP A 168 54.526 22.464 -26.439 1.00 55.98 O ATOM 1515 CB ASP A 168 52.796 25.109 -26.153 1.00 61.82 C ATOM 1516 CG ASP A 168 53.823 26.211 -26.290 1.00 63.24 C ATOM 1517 OD1 ASP A 168 53.456 27.373 -26.566 1.00 67.15 O ATOM 1518 OD2 ASP A 168 55.024 25.905 -26.144 1.00 68.14 O ATOM 1519 H ASP A 168 51.788 22.652 -26.083 1.00 0.00 H ATOM 1520 N PHE A 169 55.228 23.941 -28.000 1.00 58.59 N ATOM 1521 CA PHE A 169 56.603 23.454 -28.048 1.00 55.87 C ATOM 1522 C PHE A 169 57.564 24.585 -28.369 1.00 56.88 C ATOM 1523 O PHE A 169 57.192 25.552 -29.023 1.00 59.00 O ATOM 1524 CB PHE A 169 56.752 22.333 -29.089 1.00 55.93 C ATOM 1525 CG PHE A 169 56.350 22.730 -30.482 1.00 58.49 C ATOM 1526 CD1 PHE A 169 55.102 22.381 -30.987 1.00 60.45 C ATOM 1527 CD2 PHE A 169 57.223 23.451 -31.292 1.00 59.13 C ATOM 1528 CE1 PHE A 169 54.725 22.751 -32.268 1.00 64.13 C ATOM 1529 CE2 PHE A 169 56.861 23.822 -32.574 1.00 63.31 C ATOM 1530 CZ PHE A 169 55.604 23.470 -33.067 1.00 65.74 C ATOM 1531 H PHE A 169 54.956 24.730 -28.620 1.00 0.00 H ATOM 1532 N VAL A 170 58.807 24.450 -27.911 1.00 55.83 N ATOM 1533 CA VAL A 170 59.872 25.384 -28.271 1.00 56.86 C ATOM 1534 C VAL A 170 60.265 25.079 -29.706 1.00 57.92 C ATOM 1535 O VAL A 170 60.618 23.948 -30.032 1.00 55.25 O ATOM 1536 CB VAL A 170 61.133 25.207 -27.404 1.00 55.29 C ATOM 1537 CG1 VAL A 170 62.176 26.265 -27.752 1.00 57.12 C ATOM 1538 CG2 VAL A 170 60.796 25.254 -25.920 1.00 55.15 C ATOM 1539 H VAL A 170 59.027 23.655 -27.277 1.00 0.00 H ATOM 1540 N PRO A 171 60.204 26.078 -30.578 1.00 61.89 N ATOM 1541 CA PRO A 171 60.610 25.784 -31.936 1.00 64.64 C ATOM 1542 C PRO A 171 62.109 25.566 -32.000 1.00 64.18 C ATOM 1543 O PRO A 171 62.866 26.225 -31.284 1.00 63.40 O ATOM 1544 CB PRO A 171 60.190 27.027 -32.727 1.00 68.40 C ATOM 1545 CG PRO A 171 59.961 28.081 -31.747 1.00 69.08 C ATOM 1546 CD PRO A 171 59.792 27.475 -30.392 1.00 65.14 C ATOM 1547 N VAL A 172 62.518 24.634 -32.852 1.00 65.51 N ATOM 1548 CA VAL A 172 63.923 24.342 -33.078 1.00 66.28 C ATOM 1549 C VAL A 172 64.720 25.579 -33.495 1.00 70.03 C ATOM 1550 O VAL A 172 65.930 25.617 -33.336 1.00 70.17 O ATOM 1551 CB VAL A 172 64.089 23.231 -34.136 1.00 67.07 C ATOM 1552 CG1 VAL A 172 63.652 23.716 -35.517 1.00 70.86 C ATOM 1553 CG2 VAL A 172 65.530 22.719 -34.158 1.00 66.92 C ATOM 1554 H VAL A 172 61.804 24.091 -33.379 1.00 0.00 H ATOM 1555 N GLU A 173 64.036 26.585 -34.023 1.00 74.68 N ATOM 1556 CA GLU A 173 64.675 27.832 -34.438 1.00 79.43 C ATOM 1557 C GLU A 173 65.107 28.676 -33.237 1.00 79.92 C ATOM 1558 O GLU A 173 66.095 29.405 -33.319 1.00 82.63 O ATOM 1559 CB GLU A 173 63.734 28.641 -35.335 1.00 83.73 C ATOM 1560 CG GLU A 173 63.375 27.956 -36.668 1.00 86.89 C ATOM 1561 CD GLU A 173 62.294 26.860 -36.559 1.00 85.33 C ATOM 1562 OE1 GLU A 173 61.782 26.601 -35.447 1.00 81.66 O ATOM 1563 OE2 GLU A 173 61.960 26.247 -37.600 1.00 87.67 O ATOM 1564 H GLU A 173 63.008 26.483 -34.146 1.00 0.00 H ATOM 1565 N SER A 174 64.368 28.578 -32.132 1.00 78.51 N ATOM 1566 CA SER A 174 64.713 29.292 -30.895 1.00 78.49 C ATOM 1567 C SER A 174 65.891 28.648 -30.171 1.00 76.46 C ATOM 1568 O SER A 174 66.595 29.314 -29.421 1.00 77.23 O ATOM 1569 CB SER A 174 63.502 29.382 -29.962 1.00 77.03 C ATOM 1570 OG SER A 174 62.611 30.394 -30.408 1.00 79.15 O ATOM 1571 HG SER A 174 61.834 30.441 -29.796 1.00 0.00 H ATOM 1572 H SER A 174 63.520 27.977 -32.146 1.00 0.00 H ATOM 1573 N MET A 175 66.091 27.354 -30.394 1.00 75.11 N ATOM 1574 CA MET A 175 67.254 26.651 -29.866 1.00 74.81 C ATOM 1575 C MET A 175 68.543 27.140 -30.501 1.00 78.45 C ATOM 1576 O MET A 175 69.528 27.317 -29.804 1.00 79.13 O ATOM 1577 CB MET A 175 67.124 25.152 -30.099 1.00 72.22 C ATOM 1578 CG MET A 175 66.168 24.490 -29.162 1.00 69.48 C ATOM 1579 SD MET A 175 65.377 23.056 -29.906 1.00 72.32 S ATOM 1580 CE MET A 175 66.771 22.088 -30.483 1.00 71.88 C ATOM 1581 H MET A 175 65.398 26.827 -30.962 1.00 0.00 H ATOM 1582 N GLU A 176 68.538 27.337 -31.821 1.00 82.28 N ATOM 1583 CA GLU A 176 69.688 27.921 -32.521 1.00 86.45 C ATOM 1584 C GLU A 176 69.839 29.433 -32.220 1.00 90.16 C ATOM 1585 O GLU A 176 70.947 29.972 -32.302 1.00 93.72 O ATOM 1586 CB GLU A 176 69.608 27.656 -34.038 1.00 89.34 C ATOM 1587 CG GLU A 176 70.787 28.247 -34.841 1.00 94.07 C ATOM 1588 CD GLU A 176 71.119 27.467 -36.104 1.00 96.47 C ATOM 1589 OE1 GLU A 176 70.593 27.820 -37.186 1.00 98.32 O ATOM 1590 OE2 GLU A 176 71.915 26.502 -36.013 1.00 97.93 O ATOM 1591 H GLU A 176 67.696 27.069 -32.369 1.00 0.00 H ATOM 1592 N THR A 177 68.736 30.103 -31.873 1.00 89.97 N ATOM 1593 CA THR A 177 68.774 31.497 -31.400 1.00 92.91 C ATOM 1594 C THR A 177 69.449 31.598 -30.032 1.00 91.23 C ATOM 1595 O THR A 177 70.246 32.511 -29.795 1.00 94.98 O ATOM 1596 CB THR A 177 67.353 32.106 -31.287 1.00 93.73 C ATOM 1597 OG1 THR A 177 66.693 32.033 -32.556 1.00 95.98 O ATOM 1598 CG2 THR A 177 67.412 33.569 -30.833 1.00 97.87 C ATOM 1599 HG1 THR A 177 66.623 31.086 -32.836 1.00 0.00 H ATOM 1600 H THR A 177 67.816 29.622 -31.940 1.00 0.00 H ATOM 1601 N THR A 178 69.115 30.673 -29.134 1.00 86.43 N ATOM 1602 CA THR A 178 69.776 30.582 -27.832 1.00 84.73 C ATOM 1603 C THR A 178 71.264 30.229 -28.009 1.00 85.51 C ATOM 1604 O THR A 178 72.108 30.793 -27.324 1.00 87.29 O ATOM 1605 CB THR A 178 69.072 29.559 -26.888 1.00 79.63 C ATOM 1606 OG1 THR A 178 67.739 29.995 -26.596 1.00 76.86 O ATOM 1607 CG2 THR A 178 69.829 29.424 -25.573 1.00 79.27 C ATOM 1608 HG1 THR A 178 67.225 30.067 -27.439 1.00 0.00 H ATOM 1609 H THR A 178 68.361 29.995 -29.365 1.00 0.00 H ATOM 1610 N MET A 179 71.572 29.313 -28.932 1.00 85.09 N ATOM 1611 CA MET A 179 72.960 28.977 -29.287 1.00 87.86 C ATOM 1612 C MET A 179 73.677 30.118 -30.023 1.00 93.66 C ATOM 1613 O MET A 179 74.907 30.103 -30.140 1.00 96.12 O ATOM 1614 CB MET A 179 73.022 27.714 -30.153 1.00 86.05 C ATOM 1615 CG MET A 179 72.601 26.452 -29.431 1.00 82.17 C ATOM 1616 SD MET A 179 72.990 24.902 -30.286 1.00 83.71 S ATOM 1617 CE MET A 179 72.181 25.142 -31.881 1.00 86.39 C ATOM 1618 H MET A 179 70.799 28.817 -29.420 1.00 0.00 H ATOM 1619 N ARG A 180 72.905 31.081 -30.535 1.00 96.44 N ATOM 1620 CA ARG A 180 73.452 32.317 -31.114 1.00102.68 C ATOM 1621 C ARG A 180 73.631 33.446 -30.079 1.00104.89 C ATOM 1622 O ARG A 180 73.803 34.610 -30.456 1.00110.37 O ATOM 1623 CB ARG A 180 72.599 32.802 -32.309 1.00105.33 C ATOM 1624 CG ARG A 180 73.278 32.600 -33.670 1.00109.44 C ATOM 1625 CD ARG A 180 72.429 33.049 -34.855 1.00113.11 C ATOM 1626 NE ARG A 180 71.299 32.148 -35.106 1.00111.09 N ATOM 1627 CZ ARG A 180 70.013 32.507 -35.147 1.00111.86 C ATOM 1628 NH1 ARG A 180 69.080 31.584 -35.374 1.00108.32 N ATOM 1629 NH2 ARG A 180 69.638 33.776 -34.977 1.00115.78 N ATOM 1630 HE ARG A 180 71.518 31.144 -35.266 1.00 0.00 H ATOM 1631 HH12 ARG A 180 68.077 31.856 -35.407 1.00 0.00 H ATOM 1632 HH11 ARG A 180 69.355 30.591 -35.518 1.00 0.00 H ATOM 1633 HH22 ARG A 180 68.630 34.030 -35.013 1.00 0.00 H ATOM 1634 HH21 ARG A 180 70.354 34.512 -34.808 1.00 0.00 H ATOM 1635 H ARG A 180 71.873 30.951 -30.523 1.00 0.00 H ATOM 1636 N ALA A 181 73.609 33.107 -28.786 1.00101.43 N ATOM 1637 CA ALA A 181 73.891 34.079 -27.721 1.00103.73 C ATOM 1638 C ALA A 181 75.087 33.637 -26.858 1.00103.22 C ATOM 1639 O ALA A 181 74.921 32.995 -25.811 1.00 98.74 O ATOM 1640 CB ALA A 181 72.656 34.299 -26.863 1.00101.52 C ATOM 1641 H ALA A 181 73.385 32.125 -28.526 1.00 0.00 H ATOM 1642 N SER A 182 76.285 34.002 -27.318 1.00107.84 N ATOM 1643 CA SER A 182 77.548 33.672 -26.648 1.00108.64 C ATOM 1644 C SER A 182 77.690 34.372 -25.294 1.00110.27 C ATOM 1645 O SER A 182 77.619 33.730 -24.241 1.00107.16 O ATOM 1646 CB SER A 182 78.724 34.065 -27.544 1.00114.20 C ATOM 1647 OG SER A 182 78.635 35.431 -27.906 1.00118.70 O ATOM 1648 HG SER A 182 79.402 35.668 -28.485 1.00 0.00 H ATOM 1649 H SER A 182 76.326 34.551 -28.200 1.00 0.00 H TER 1650 SER A 182 HETATM 1651 ZN ZN A 1 61.583 17.667 -42.349 1.00 89.72 ZN HETATM 1652 C1 UNN A 2 56.989 29.158 -20.608 1.00 0.17 C HETATM 1653 C2 UNN A 2 56.693 28.259 -19.588 1.00 0.06 C HETATM 1654 C4 UNN A 2 55.610 27.390 -19.723 1.00 0.03 C HETATM 1655 C6 UNN A 2 54.829 27.416 -20.868 1.00 -0.05 C HETATM 1656 C5 UNN A 2 55.128 28.307 -21.876 1.00 -0.03 C HETATM 1657 C3 UNN A 2 56.198 29.177 -21.752 1.00 0.13 C HETATM 1658 O11 UNN A 2 56.396 30.045 -22.790 1.00 -0.32 O HETATM 1659 C12 UNN A 2 57.637 30.432 -23.377 1.00 0.06 C HETATM 1660 H3 UNN A 2 57.450 31.146 -24.193 1.00 0.06 H HETATM 1661 H4 UNN A 2 58.146 29.543 -23.777 1.00 0.06 H HETATM 1662 H5 UNN A 2 58.272 30.906 -22.614 1.00 0.06 H HETATM 1663 H1 UNN A 2 54.520 28.327 -22.773 1.00 0.06 H HETATM 1664 H2 UNN A 2 53.988 26.739 -20.970 1.00 0.06 H HETATM 1665 C10 UNN A 2 55.306 26.496 -18.720 1.00 0.12 C HETATM 1666 O14 UNN A 2 54.230 25.679 -18.920 1.00 -0.30 O HETATM 1667 C23 UNN A 2 53.814 24.634 -18.054 1.00 0.11 C HETATM 1668 C24 UNN A 2 52.299 24.515 -18.013 1.00 0.02 C HETATM 1669 C25 UNN A 2 52.075 23.061 -17.622 1.00 0.14 C HETATM 1670 C28 UNN A 2 50.755 22.594 -18.247 1.00 0.20 C HETATM 1671 N31 UNN A 2 49.668 22.158 -17.473 1.00 -0.27 N HETATM 1672 C32 UNN A 2 49.695 22.137 -16.000 1.00 0.02 C HETATM 1673 H13 UNN A 2 48.734 21.758 -15.621 1.00 0.05 H HETATM 1674 H14 UNN A 2 49.862 23.156 -15.622 1.00 0.05 H HETATM 1675 H15 UNN A 2 50.509 21.481 -15.658 1.00 0.05 H HETATM 1676 C33 UNN A 2 48.352 21.691 -17.967 1.00 0.03 C HETATM 1677 C34 UNN A 2 48.311 20.451 -18.870 1.00 -0.03 C HETATM 1678 C35 UNN A 2 49.323 19.332 -18.580 1.00 -0.04 C HETATM 1679 C36 UNN A 2 49.784 18.834 -19.965 1.00 -0.04 C HETATM 1680 C37 UNN A 2 50.633 17.579 -19.952 1.00 -0.10 C HETATM 1681 C38 UNN A 2 51.957 17.548 -20.200 1.00 -0.09 C HETATM 1682 C42 UNN A 2 52.830 18.774 -20.494 1.00 0.01 C HETATM 1683 C41 UNN A 2 54.153 19.140 -19.745 1.00 0.15 C HETATM 1684 C44 UNN A 2 54.839 18.156 -18.829 1.00 0.25 C HETATM 1685 N45 UNN A 2 55.405 18.472 -17.627 1.00 -0.15 N HETATM 1686 S47 UNN A 2 56.157 17.338 -16.730 1.00 0.07 S HETATM 1687 O50 UNN A 2 55.212 16.450 -16.101 1.00 -0.15 O HETATM 1688 O49 UNN A 2 57.003 16.534 -17.582 1.00 -0.15 O HETATM 1689 C48 UNN A 2 57.172 18.158 -15.475 1.00 0.11 C HETATM 1690 C53 UNN A 2 58.252 17.237 -14.913 1.00 -0.02 C HETATM 1691 C52 UNN A 2 58.581 18.515 -15.772 1.00 -0.02 C HETATM 1692 H28 UNN A 2 59.038 19.395 -15.296 1.00 0.03 H HETATM 1693 H29 UNN A 2 58.973 18.405 -16.794 1.00 0.03 H HETATM 1694 H26 UNN A 2 58.400 16.230 -15.331 1.00 0.03 H HETATM 1695 H27 UNN A 2 58.465 17.220 -13.834 1.00 0.03 H HETATM 1696 C51 UNN A 2 56.404 18.844 -14.343 1.00 -0.04 C HETATM 1697 H30 UNN A 2 57.117 19.306 -13.644 1.00 0.03 H HETATM 1698 H31 UNN A 2 55.796 18.099 -13.809 1.00 0.03 H HETATM 1699 H32 UNN A 2 55.748 19.620 -14.763 1.00 0.03 H HETATM 1700 H33 UNN A 2 55.357 19.413 -17.292 1.00 0.21 H HETATM 1701 O46 UNN A 2 54.943 17.022 -19.210 1.00 -0.34 O HETATM 1702 C43 UNN A 2 54.162 18.871 -21.191 1.00 -0.01 C HETATM 1703 H34 UNN A 2 54.643 17.956 -21.568 1.00 0.03 H HETATM 1704 H35 UNN A 2 54.346 19.697 -21.893 1.00 0.03 H HETATM 1705 N40 UNN A 2 54.198 20.528 -19.310 1.00 -0.26 N HETATM 1706 C29 UNN A 2 53.132 21.065 -18.644 1.00 0.26 C HETATM 1707 O39 UNN A 2 52.177 20.377 -18.372 1.00 -0.40 O HETATM 1708 N27 UNN A 2 53.165 22.375 -18.279 1.00 -0.24 N HETATM 1709 C26 UNN A 2 54.276 23.284 -18.576 1.00 0.07 C HETATM 1710 H39 UNN A 2 55.192 22.960 -18.060 1.00 0.06 H HETATM 1711 H40 UNN A 2 54.462 23.329 -19.659 1.00 0.06 H HETATM 1712 H38 UNN A 2 55.006 21.087 -19.498 1.00 0.18 H HETATM 1713 H36 UNN A 2 52.119 19.588 -20.697 1.00 0.04 H HETATM 1714 H25 UNN A 2 52.446 16.575 -20.191 1.00 0.05 H HETATM 1715 H24 UNN A 2 50.138 16.636 -19.726 1.00 0.04 H HETATM 1716 H22 UNN A 2 50.370 19.636 -20.437 1.00 0.04 H HETATM 1717 H23 UNN A 2 48.887 18.631 -20.569 1.00 0.04 H HETATM 1718 H20 UNN A 2 48.846 18.517 -18.016 1.00 0.03 H HETATM 1719 H21 UNN A 2 50.177 19.723 -18.007 1.00 0.03 H HETATM 1720 H18 UNN A 2 48.480 20.789 -19.903 1.00 0.03 H HETATM 1721 H19 UNN A 2 47.304 20.015 -18.787 1.00 0.03 H HETATM 1722 H16 UNN A 2 47.732 21.472 -17.085 1.00 0.05 H HETATM 1723 H17 UNN A 2 47.904 22.521 -18.533 1.00 0.05 H HETATM 1724 O30 UNN A 2 50.676 22.584 -19.476 1.00 -0.39 O HETATM 1725 H37 UNN A 2 52.079 22.911 -16.532 1.00 0.08 H HETATM 1726 H11 UNN A 2 51.859 24.731 -18.998 1.00 0.03 H HETATM 1727 H12 UNN A 2 51.870 25.196 -17.263 1.00 0.03 H HETATM 1728 H10 UNN A 2 54.214 24.818 -17.046 1.00 0.07 H HETATM 1729 C9 UNN A 2 56.081 26.461 -17.570 1.00 0.00 C HETATM 1730 C8 UNN A 2 57.147 27.317 -17.441 1.00 0.07 C HETATM 1731 C15 UNN A 2 57.939 27.304 -16.228 1.00 0.12 C HETATM 1732 S17 UNN A 2 59.190 28.243 -15.958 1.00 -0.01 S HETATM 1733 C19 UNN A 2 59.442 27.855 -14.441 1.00 0.01 C HETATM 1734 C18 UNN A 2 58.447 26.963 -14.086 1.00 0.01 C HETATM 1735 N16 UNN A 2 57.684 26.569 -15.141 1.00 -0.30 N HETATM 1736 C20 UNN A 2 58.441 26.251 -12.738 1.00 -0.01 C HETATM 1737 C21 UNN A 2 57.330 25.203 -12.610 1.00 -0.05 C HETATM 1738 H7 UNN A 2 57.384 24.731 -11.618 1.00 0.03 H HETATM 1739 H8 UNN A 2 57.458 24.436 -13.389 1.00 0.03 H HETATM 1740 H9 UNN A 2 56.351 25.690 -12.732 1.00 0.03 H HETATM 1741 C22 UNN A 2 58.363 27.279 -11.594 1.00 -0.05 C HETATM 1742 H43 UNN A 2 59.170 28.018 -11.710 1.00 0.03 H HETATM 1743 H44 UNN A 2 58.474 26.763 -10.629 1.00 0.03 H HETATM 1744 H45 UNN A 2 57.390 27.791 -11.626 1.00 0.03 H HETATM 1745 H42 UNN A 2 59.400 25.719 -12.646 1.00 0.04 H HETATM 1746 H6 UNN A 2 60.244 28.221 -13.802 1.00 0.07 H HETATM 1747 N7 UNN A 2 57.451 28.227 -18.431 1.00 -0.31 N HETATM 1748 H41 UNN A 2 55.846 25.761 -16.776 1.00 0.06 H HETATM 1749 F13 UNN A 2 58.015 29.989 -20.484 1.00 -0.19 F CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 877 876 1651 CONECT 893 892 1651 CONECT 1322 1321 1651 CONECT 1651 877 893 1322 CONECT 1652 1653 1657 1749 CONECT 1653 1652 1654 1747 CONECT 1654 1653 1655 1665 CONECT 1655 1654 1656 1664 CONECT 1656 1655 1657 1663 CONECT 1657 1652 1656 1658 CONECT 1658 1657 1659 CONECT 1659 1658 1660 1661 1662 CONECT 1660 1659 CONECT 1661 1659 CONECT 1662 1659 CONECT 1663 1656 CONECT 1664 1655 CONECT 1665 1654 1666 1729 CONECT 1666 1665 1667 CONECT 1667 1666 1668 1709 1728 CONECT 1668 1667 1669 1726 1727 CONECT 1669 1668 1670 1708 1725 CONECT 1670 1669 1671 1724 CONECT 1671 1670 1672 1676 CONECT 1672 1671 1673 1674 1675 CONECT 1673 1672 CONECT 1674 1672 CONECT 1675 1672 CONECT 1676 1671 1677 1722 1723 CONECT 1677 1676 1678 1720 1721 CONECT 1678 1677 1679 1718 1719 CONECT 1679 1678 1680 1716 1717 CONECT 1680 1679 1681 1715 CONECT 1681 1680 1682 1714 CONECT 1682 1681 1683 1702 1713 CONECT 1683 1682 1684 1702 1705 CONECT 1684 1683 1685 1701 CONECT 1685 1684 1686 1700 CONECT 1686 1685 1687 1688 1689 CONECT 1687 1686 CONECT 1688 1686 CONECT 1689 1686 1690 1691 1696 CONECT 1690 1689 1691 1694 1695 CONECT 1691 1689 1690 1692 1693 CONECT 1692 1691 CONECT 1693 1691 CONECT 1694 1690 CONECT 1695 1690 CONECT 1696 1689 1697 1698 1699 CONECT 1697 1696 CONECT 1698 1696 CONECT 1699 1696 CONECT 1700 1685 CONECT 1701 1684 CONECT 1702 1682 1683 1703 1704 CONECT 1703 1702 CONECT 1704 1702 CONECT 1705 1683 1706 1712 CONECT 1706 1705 1707 1708 CONECT 1707 1706 CONECT 1708 1669 1706 1709 CONECT 1709 1667 1708 1710 1711 CONECT 1710 1709 CONECT 1711 1709 CONECT 1712 1705 CONECT 1713 1682 CONECT 1714 1681 CONECT 1715 1680 CONECT 1716 1679 CONECT 1717 1679 CONECT 1718 1678 CONECT 1719 1678 CONECT 1720 1677 CONECT 1721 1677 CONECT 1722 1676 CONECT 1723 1676 CONECT 1724 1670 CONECT 1725 1669 CONECT 1726 1668 CONECT 1727 1668 CONECT 1728 1667 CONECT 1729 1665 1730 1748 CONECT 1730 1729 1731 1747 CONECT 1731 1730 1732 1735 CONECT 1732 1731 1733 CONECT 1733 1732 1734 1746 CONECT 1734 1733 1735 1736 CONECT 1735 1731 1734 CONECT 1736 1734 1737 1741 1745 CONECT 1737 1736 1738 1739 1740 CONECT 1738 1737 CONECT 1739 1737 CONECT 1740 1737 CONECT 1741 1736 1742 1743 1744 CONECT 1742 1741 CONECT 1743 1741 CONECT 1744 1741 CONECT 1745 1736 CONECT 1746 1733 CONECT 1747 1653 1730 CONECT 1748 1729 CONECT 1749 1652 MASTER 0 0 0 0 0 0 0 0 1748 1 106 14 END
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Related entries of code: 4u01
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1dxp
RCSB PDB
PDBbind
16aa, >1DXP_2|Chains... at 100%
3oyp
RCSB PDB
PDBbind
16aa, >3OYP_2|Chains... at 100%
3p8n
RCSB PDB
PDBbind
17aa, >3P8N_2|Chains... at 100%
3p8o
RCSB PDB
PDBbind
17aa, >3P8O_2|Chains... at 100%
4i31
RCSB PDB
PDBbind
17aa, >4I31_2|Chains... at 100%
4i32
RCSB PDB
PDBbind
17aa, >4I32_2|Chains... at 100%
4i33
RCSB PDB
PDBbind
17aa, >4I33_2|Chains... at 100%
4ktc
RCSB PDB
PDBbind
16aa, >4KTC_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4u01
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
HCV NS3/4A serine protease
Ligand Name
39W
EC.Number
E.C.-.-.-.-
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
IC50=0.0035uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Bioorg.Med.Chem.Lett. Vol. 25: pp. 5427-5436
Ligand Properties
Formula
C
3
7
H
4
5
FN
6
O
7
S
2
Molecular Weight
768.918
Exact Mass
768.278
No. of atoms
98
No. of bonds
104
Polar Surface Area
196.75
LOGP Value
4.51 (
Computed with XLOGP3
)
6.79 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 7
Canonical SMILES
COc1ccc2c(c1F)nc(cc2O[C@H]1C[C@@H]2N(C1)C(=O)N[C@@]1(C[C@H]1/C=C\CCCCN(C2=O)C)C(=O)NS(=O)(=O)C1(C)CC1)c1scc(n1)C(C)C
InChI String
InChI=1S/C37H45FN6O7S2/c1-21(2)26-20-52-32(40-26)25-17-29(24-11-12-28(50-5)30(38)31(24)39-25)51-23-16-27-33(45)43(4)15-9-7-6-8-10-22-18-37(22,41-35(47)44(27)19-23)34(46)42-53(48,49)36(3)13-14-36/h8,10-12,17,20-23,27H,6-7,9,13-16,18-19H2,1-5H3,(H,41,47)(H,42,46)/b10-8-/t22-,23+,27+,37-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
F0UY39
Q9WMX2
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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