Browse entries in the PDBbind-CN Database
HEADER 4PIS_COMPLEX COMPND 4PIS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 204 SER GLY SER SER GLU GLN GLU LEU ALA ALA ILE VAL ARG SEQRES 2 A 204 ASP LEU GLY CYS GLY PRO TYR PHE LEU GLY THR HIS ASP SEQRES 3 A 204 LYS ARG PHE PRO GLY PHE LEU ALA GLY ASN LYS LEU ALA SEQRES 4 A 204 CYS ALA ILE VAL ASN THR ALA GLY ARG GLU THR GLY GLY SEQRES 5 A 204 VAL HIS TRP LEU ALA PHE GLY TRP ASN PRO ARG SER ARG SEQRES 6 A 204 THR CYS TYR MET PHE ASP PRO PHE GLY PHE SER ASP ARG SEQRES 7 A 204 ARG LEU LYS GLN ILE TYR SER PHE GLU TYR GLU ALA MET SEQRES 8 A 204 LEU ARG ARG SER ALA LEU ALA LEU SER PRO ASP ARG CYS SEQRES 9 A 204 LEU SER LEU GLU GLN SER THR GLN THR VAL GLN GLY PRO SEQRES 10 A 204 ASP SER ALA ALA CYS GLY LEU PHE CYS CYS MET PHE LEU SEQRES 11 A 204 HIS ALA PHE VAL HIS TRP PRO ASP ARG PRO MET ASP GLY SEQRES 12 A 204 ASN PRO THR MET ASN LEU LEU THR GLY VAL PRO ASN GLY SEQRES 13 A 204 MET LEU GLN SER PRO GLN VAL LEU PRO THR LEU ARG ARG SEQRES 14 A 204 ASN GLN GLU LYS LEU TYR ARG PHE LEU ALA HIS HIS SER SEQRES 15 A 204 PRO TYR PHE ARG SER HIS ARG ALA ALA ILE GLU HIS ALA SEQRES 16 A 204 THR ALA PHE ASP LYS MET LYS GLN LEU HET UNN A 237 61 ATOM 1 N SER A 1 -42.244 12.591 -24.017 1.00 58.22 N ATOM 2 CA SER A 1 -40.890 12.805 -24.513 1.00 57.79 C ATOM 3 C SER A 1 -39.888 12.732 -23.352 1.00 60.51 C ATOM 4 O SER A 1 -39.779 13.666 -22.549 1.00 60.63 O ATOM 5 CB SER A 1 -40.794 14.142 -25.253 1.00 62.09 C ATOM 6 OG SER A 1 -39.470 14.451 -25.660 1.00 67.23 O ATOM 7 HG SER A 1 -39.466 15.322 -26.131 1.00 0.00 H ATOM 8 HN3 SER A 1 -42.476 13.325 -23.318 1.00 0.00 H ATOM 9 HN2 SER A 1 -42.304 11.654 -23.571 1.00 0.00 H ATOM 10 HN1 SER A 1 -42.915 12.642 -24.810 1.00 0.00 H ATOM 11 N GLY A 2 -39.179 11.612 -23.278 1.00 55.12 N ATOM 12 CA GLY A 2 -38.186 11.375 -22.245 1.00 54.06 C ATOM 13 C GLY A 2 -38.734 10.685 -21.013 1.00 56.51 C ATOM 14 O GLY A 2 -39.895 10.259 -20.973 1.00 56.51 O ATOM 15 H GLY A 2 -39.342 10.872 -23.991 1.00 0.00 H ATOM 16 N SER A 3 -37.868 10.559 -20.008 1.00 50.52 N ATOM 17 CA SER A 3 -38.147 9.894 -18.743 1.00 48.91 C ATOM 18 C SER A 3 -38.586 10.911 -17.702 1.00 51.38 C ATOM 19 O SER A 3 -38.023 12.009 -17.637 1.00 49.24 O ATOM 20 CB SER A 3 -36.903 9.164 -18.245 1.00 49.58 C ATOM 21 OG SER A 3 -36.292 8.376 -19.251 1.00 53.10 O ATOM 22 HG SER A 3 -36.021 8.957 -20.005 1.00 0.00 H ATOM 23 H SER A 3 -36.920 10.967 -20.137 1.00 0.00 H ATOM 24 N SER A 4 -39.609 10.533 -16.895 1.00 47.78 N ATOM 25 CA SER A 4 -40.178 11.333 -15.804 1.00 46.68 C ATOM 26 C SER A 4 -39.286 11.175 -14.560 1.00 48.47 C ATOM 27 O SER A 4 -38.515 10.228 -14.500 1.00 47.74 O ATOM 28 CB SER A 4 -41.596 10.850 -15.493 1.00 48.38 C ATOM 29 OG SER A 4 -41.609 9.532 -14.962 1.00 49.64 O ATOM 30 HG SER A 4 -42.543 9.261 -14.776 1.00 0.00 H ATOM 31 H SER A 4 -40.026 9.595 -17.064 1.00 0.00 H ATOM 32 N GLU A 5 -39.422 12.044 -13.557 1.00 46.05 N ATOM 33 CA GLU A 5 -38.608 11.920 -12.339 1.00 46.16 C ATOM 34 C GLU A 5 -38.889 10.639 -11.522 1.00 47.21 C ATOM 35 O GLU A 5 -37.991 10.140 -10.845 1.00 45.79 O ATOM 36 CB GLU A 5 -38.723 13.179 -11.468 1.00 48.25 C ATOM 37 CG GLU A 5 -40.073 13.385 -10.804 1.00 61.74 C ATOM 38 CD GLU A 5 -40.088 14.459 -9.738 1.00 80.08 C ATOM 39 OE1 GLU A 5 -40.871 15.420 -9.900 1.00 85.03 O ATOM 40 OE2 GLU A 5 -39.336 14.339 -8.742 1.00 61.94 O ATOM 41 H GLU A 5 -40.112 12.818 -13.638 1.00 0.00 H ATOM 42 N GLN A 6 -40.121 10.092 -11.617 1.00 44.52 N ATOM 43 CA GLN A 6 -40.540 8.868 -10.902 1.00 43.77 C ATOM 44 C GLN A 6 -39.881 7.674 -11.561 1.00 43.40 C ATOM 45 O GLN A 6 -39.452 6.741 -10.877 1.00 41.81 O ATOM 46 CB GLN A 6 -42.079 8.694 -10.935 1.00 45.58 C ATOM 47 CG GLN A 6 -42.891 9.893 -10.419 1.00 70.30 C ATOM 48 CD GLN A 6 -43.047 11.029 -11.418 1.00 83.61 C ATOM 49 OE1 GLN A 6 -42.985 10.839 -12.634 1.00 73.85 O ATOM 50 NE2 GLN A 6 -43.273 12.236 -10.916 1.00 75.96 N ATOM 51 HE22 GLN A 6 -43.321 12.370 -9.886 1.00 0.00 H ATOM 52 HE21 GLN A 6 -43.402 13.048 -11.553 1.00 0.00 H ATOM 53 H GLN A 6 -40.817 10.561 -12.231 1.00 0.00 H ATOM 54 N GLU A 7 -39.829 7.702 -12.913 1.00 38.79 N ATOM 55 CA GLU A 7 -39.207 6.679 -13.753 1.00 36.92 C ATOM 56 C GLU A 7 -37.730 6.545 -13.345 1.00 41.76 C ATOM 57 O GLU A 7 -37.269 5.450 -12.993 1.00 42.21 O ATOM 58 CB GLU A 7 -39.325 7.109 -15.216 1.00 37.82 C ATOM 59 CG GLU A 7 -39.720 6.012 -16.184 1.00 54.78 C ATOM 60 CD GLU A 7 -40.113 6.542 -17.552 1.00 76.34 C ATOM 61 OE1 GLU A 7 -39.227 6.617 -18.436 1.00 74.85 O ATOM 62 OE2 GLU A 7 -41.300 6.906 -17.731 1.00 56.26 O ATOM 63 H GLU A 7 -40.266 8.515 -13.392 1.00 0.00 H ATOM 64 N LEU A 8 -37.012 7.688 -13.334 1.00 39.00 N ATOM 65 CA LEU A 8 -35.590 7.757 -12.992 1.00 38.49 C ATOM 66 C LEU A 8 -35.331 7.399 -11.548 1.00 41.44 C ATOM 67 O LEU A 8 -34.433 6.599 -11.309 1.00 42.73 O ATOM 68 CB LEU A 8 -35.011 9.140 -13.333 1.00 38.09 C ATOM 69 CG LEU A 8 -35.211 9.583 -14.777 1.00 41.67 C ATOM 70 CD1 LEU A 8 -34.786 11.009 -14.964 1.00 41.25 C ATOM 71 CD2 LEU A 8 -34.470 8.675 -15.722 1.00 45.15 C ATOM 72 H LEU A 8 -37.498 8.573 -13.583 1.00 0.00 H ATOM 73 N ALA A 9 -36.170 7.887 -10.603 1.00 36.20 N ATOM 74 CA ALA A 9 -36.032 7.548 -9.175 1.00 35.03 C ATOM 75 C ALA A 9 -36.129 6.062 -8.951 1.00 35.93 C ATOM 76 O ALA A 9 -35.275 5.494 -8.258 1.00 30.90 O ATOM 77 CB ALA A 9 -37.060 8.283 -8.335 1.00 35.82 C ATOM 78 H ALA A 9 -36.939 8.523 -10.895 1.00 0.00 H ATOM 79 N ALA A 10 -37.103 5.402 -9.637 1.00 35.83 N ATOM 80 CA ALA A 10 -37.273 3.956 -9.507 1.00 35.77 C ATOM 81 C ALA A 10 -36.118 3.194 -10.111 1.00 40.20 C ATOM 82 O ALA A 10 -35.685 2.206 -9.528 1.00 40.85 O ATOM 83 CB ALA A 10 -38.585 3.511 -10.127 1.00 36.53 C ATOM 84 H ALA A 10 -37.737 5.936 -10.265 1.00 0.00 H ATOM 85 N ILE A 11 -35.606 3.636 -11.276 1.00 36.52 N ATOM 86 CA ILE A 11 -34.489 2.931 -11.918 1.00 35.54 C ATOM 87 C ILE A 11 -33.190 3.094 -11.121 1.00 38.46 C ATOM 88 O ILE A 11 -32.490 2.122 -10.867 1.00 37.69 O ATOM 89 CB ILE A 11 -34.341 3.323 -13.419 1.00 37.80 C ATOM 90 CG1 ILE A 11 -35.532 2.756 -14.232 1.00 37.50 C ATOM 91 CG2 ILE A 11 -32.996 2.843 -13.980 1.00 36.58 C ATOM 92 CD1 ILE A 11 -35.691 3.220 -15.643 1.00 37.67 C ATOM 93 H ILE A 11 -36.006 4.485 -11.725 1.00 0.00 H ATOM 94 N VAL A 12 -32.899 4.316 -10.704 1.00 36.26 N ATOM 95 CA VAL A 12 -31.709 4.623 -9.907 1.00 36.01 C ATOM 96 C VAL A 12 -31.649 3.740 -8.639 1.00 42.66 C ATOM 97 O VAL A 12 -30.605 3.152 -8.341 1.00 43.44 O ATOM 98 CB VAL A 12 -31.721 6.140 -9.641 1.00 37.40 C ATOM 99 CG1 VAL A 12 -31.105 6.490 -8.314 1.00 37.62 C ATOM 100 CG2 VAL A 12 -31.055 6.898 -10.784 1.00 36.02 C ATOM 101 H VAL A 12 -33.544 5.093 -10.953 1.00 0.00 H ATOM 102 N ARG A 13 -32.798 3.606 -7.942 1.00 41.11 N ATOM 103 CA ARG A 13 -32.978 2.766 -6.751 1.00 40.40 C ATOM 104 C ARG A 13 -32.669 1.306 -7.130 1.00 43.01 C ATOM 105 O ARG A 13 -31.822 0.677 -6.501 1.00 42.44 O ATOM 106 CB ARG A 13 -34.420 2.910 -6.264 1.00 38.51 C ATOM 107 CG ARG A 13 -34.689 2.451 -4.834 1.00 54.40 C ATOM 108 CD ARG A 13 -35.615 3.405 -4.085 1.00 72.51 C ATOM 109 NE ARG A 13 -36.860 3.696 -4.813 1.00 84.16 N ATOM 110 CZ ARG A 13 -37.184 4.891 -5.307 1.00 96.73 C ATOM 111 NH1 ARG A 13 -36.364 5.927 -5.153 1.00 85.17 N ATOM 112 NH2 ARG A 13 -38.329 5.058 -5.960 1.00 76.48 N ATOM 113 HE ARG A 13 -37.534 2.916 -4.952 1.00 0.00 H ATOM 114 HH12 ARG A 13 -36.622 6.857 -5.541 1.00 0.00 H ATOM 115 HH11 ARG A 13 -35.465 5.807 -4.645 1.00 0.00 H ATOM 116 HH22 ARG A 13 -38.577 5.992 -6.344 1.00 0.00 H ATOM 117 HH21 ARG A 13 -38.977 4.255 -6.088 1.00 0.00 H ATOM 118 H ARG A 13 -33.624 4.142 -8.277 1.00 0.00 H ATOM 119 N ASP A 14 -33.290 0.810 -8.224 1.00 40.03 N ATOM 120 CA ASP A 14 -33.114 -0.538 -8.764 1.00 39.64 C ATOM 121 C ASP A 14 -31.653 -0.873 -9.077 1.00 42.87 C ATOM 122 O ASP A 14 -31.263 -2.049 -8.979 1.00 42.56 O ATOM 123 CB ASP A 14 -33.971 -0.722 -10.028 1.00 41.64 C ATOM 124 CG ASP A 14 -35.454 -0.984 -9.811 1.00 52.95 C ATOM 125 OD1 ASP A 14 -35.834 -1.412 -8.686 1.00 54.28 O ATOM 126 OD2 ASP A 14 -36.227 -0.836 -10.781 1.00 51.39 O ATOM 127 H ASP A 14 -33.949 1.441 -8.724 1.00 0.00 H ATOM 128 N LEU A 15 -30.859 0.164 -9.456 1.00 38.39 N ATOM 129 CA LEU A 15 -29.434 0.081 -9.829 1.00 38.15 C ATOM 130 C LEU A 15 -28.445 0.038 -8.632 1.00 42.59 C ATOM 131 O LEU A 15 -27.240 -0.160 -8.831 1.00 39.80 O ATOM 132 CB LEU A 15 -29.064 1.230 -10.809 1.00 37.89 C ATOM 133 CG LEU A 15 -29.600 1.089 -12.243 1.00 42.27 C ATOM 134 CD1 LEU A 15 -29.439 2.372 -13.015 1.00 41.94 C ATOM 135 CD2 LEU A 15 -28.903 -0.031 -12.987 1.00 41.71 C ATOM 136 H LEU A 15 -31.299 1.106 -9.486 1.00 0.00 H ATOM 137 N GLY A 16 -28.972 0.215 -7.418 1.00 42.10 N ATOM 138 CA GLY A 16 -28.208 0.207 -6.170 1.00 42.65 C ATOM 139 C GLY A 16 -27.661 1.569 -5.763 1.00 46.88 C ATOM 140 O GLY A 16 -26.637 1.636 -5.071 1.00 45.55 O ATOM 141 H GLY A 16 -29.999 0.370 -7.355 1.00 0.00 H ATOM 142 N CYS A 17 -28.352 2.660 -6.176 1.00 43.65 N ATOM 143 CA CYS A 17 -27.923 4.048 -5.943 1.00 43.04 C ATOM 144 C CYS A 17 -28.573 4.712 -4.756 1.00 48.41 C ATOM 145 O CYS A 17 -27.973 5.627 -4.191 1.00 49.26 O ATOM 146 CB CYS A 17 -28.109 4.899 -7.193 1.00 42.74 C ATOM 147 SG CYS A 17 -27.199 4.321 -8.641 1.00 46.19 S ATOM 148 H CYS A 17 -29.243 2.506 -6.691 1.00 0.00 H ATOM 149 N GLY A 18 -29.810 4.312 -4.455 1.00 44.49 N ATOM 150 CA GLY A 18 -30.654 4.826 -3.374 1.00 44.18 C ATOM 151 C GLY A 18 -29.963 5.396 -2.145 1.00 45.88 C ATOM 152 O GLY A 18 -30.212 6.569 -1.822 1.00 42.74 O ATOM 153 H GLY A 18 -30.215 3.560 -5.048 1.00 0.00 H ATOM 154 N PRO A 19 -29.063 4.622 -1.460 1.00 44.01 N ATOM 155 CA PRO A 19 -28.378 5.166 -0.261 1.00 44.77 C ATOM 156 C PRO A 19 -27.528 6.421 -0.526 1.00 50.51 C ATOM 157 O PRO A 19 -27.438 7.303 0.333 1.00 51.57 O ATOM 158 CB PRO A 19 -27.511 3.984 0.219 1.00 46.22 C ATOM 159 CG PRO A 19 -27.351 3.107 -0.976 1.00 50.55 C ATOM 160 CD PRO A 19 -28.656 3.218 -1.697 1.00 46.30 C ATOM 161 N TYR A 20 -26.954 6.529 -1.735 1.00 46.30 N ATOM 162 CA TYR A 20 -26.092 7.658 -2.116 1.00 45.76 C ATOM 163 C TYR A 20 -26.785 8.682 -2.982 1.00 48.18 C ATOM 164 O TYR A 20 -26.180 9.698 -3.311 1.00 48.69 O ATOM 165 CB TYR A 20 -24.832 7.158 -2.833 1.00 46.77 C ATOM 166 CG TYR A 20 -24.259 5.878 -2.272 1.00 49.28 C ATOM 167 CD1 TYR A 20 -23.365 5.899 -1.205 1.00 51.75 C ATOM 168 CD2 TYR A 20 -24.561 4.648 -2.847 1.00 50.86 C ATOM 169 CE1 TYR A 20 -22.806 4.722 -0.705 1.00 53.70 C ATOM 170 CE2 TYR A 20 -24.017 3.463 -2.351 1.00 52.45 C ATOM 171 CZ TYR A 20 -23.139 3.503 -1.280 1.00 61.52 C ATOM 172 OH TYR A 20 -22.592 2.335 -0.809 1.00 64.07 O ATOM 173 HH TYR A 20 -21.992 2.536 -0.048 1.00 0.00 H ATOM 174 H TYR A 20 -27.127 5.779 -2.435 1.00 0.00 H ATOM 175 N PHE A 21 -28.045 8.421 -3.356 1.00 41.94 N ATOM 176 CA PHE A 21 -28.837 9.264 -4.237 1.00 40.27 C ATOM 177 C PHE A 21 -29.621 10.299 -3.497 1.00 45.66 C ATOM 178 O PHE A 21 -30.337 9.959 -2.556 1.00 46.07 O ATOM 179 CB PHE A 21 -29.750 8.408 -5.127 1.00 41.08 C ATOM 180 CG PHE A 21 -30.464 9.127 -6.249 1.00 41.93 C ATOM 181 CD1 PHE A 21 -29.747 9.698 -7.300 1.00 44.91 C ATOM 182 CD2 PHE A 21 -31.855 9.152 -6.307 1.00 43.32 C ATOM 183 CE1 PHE A 21 -30.408 10.294 -8.379 1.00 44.93 C ATOM 184 CE2 PHE A 21 -32.519 9.740 -7.394 1.00 46.16 C ATOM 185 CZ PHE A 21 -31.788 10.300 -8.426 1.00 44.26 C ATOM 186 H PHE A 21 -28.488 7.554 -2.990 1.00 0.00 H ATOM 187 N LEU A 22 -29.487 11.575 -3.942 1.00 41.76 N ATOM 188 CA LEU A 22 -30.108 12.772 -3.370 1.00 40.96 C ATOM 189 C LEU A 22 -31.399 13.187 -4.074 1.00 41.71 C ATOM 190 O LEU A 22 -31.960 14.229 -3.739 1.00 41.27 O ATOM 191 CB LEU A 22 -29.117 13.966 -3.408 1.00 41.43 C ATOM 192 CG LEU A 22 -27.850 13.901 -2.540 1.00 47.09 C ATOM 193 CD1 LEU A 22 -26.829 14.920 -3.015 1.00 47.68 C ATOM 194 CD2 LEU A 22 -28.175 14.176 -1.046 1.00 46.79 C ATOM 195 H LEU A 22 -28.881 11.717 -4.775 1.00 0.00 H ATOM 196 N GLY A 23 -31.845 12.407 -5.047 1.00 36.55 N ATOM 197 CA GLY A 23 -33.059 12.705 -5.782 1.00 36.41 C ATOM 198 C GLY A 23 -32.850 13.283 -7.170 1.00 44.01 C ATOM 199 O GLY A 23 -31.720 13.440 -7.638 1.00 42.24 O ATOM 200 H GLY A 23 -31.306 11.552 -5.292 1.00 0.00 H ATOM 201 N THR A 24 -33.981 13.588 -7.830 1.00 43.02 N ATOM 202 CA THR A 24 -34.096 14.157 -9.171 1.00 42.72 C ATOM 203 C THR A 24 -34.615 15.577 -9.006 1.00 46.20 C ATOM 204 O THR A 24 -35.586 15.805 -8.274 1.00 44.47 O ATOM 205 CB THR A 24 -34.982 13.275 -10.077 1.00 48.81 C ATOM 206 OG1 THR A 24 -36.219 13.038 -9.412 1.00 61.13 O ATOM 207 CG2 THR A 24 -34.351 11.928 -10.391 1.00 43.11 C ATOM 208 HG1 THR A 24 -36.670 13.902 -9.238 1.00 0.00 H ATOM 209 H THR A 24 -34.873 13.398 -7.331 1.00 0.00 H ATOM 210 N HIS A 25 -33.922 16.543 -9.638 1.00 42.05 N ATOM 211 CA HIS A 25 -34.248 17.960 -9.503 1.00 41.63 C ATOM 212 C HIS A 25 -34.234 18.655 -10.841 1.00 43.42 C ATOM 213 O HIS A 25 -33.857 18.072 -11.851 1.00 43.29 O ATOM 214 CB HIS A 25 -33.185 18.663 -8.620 1.00 42.98 C ATOM 215 CG HIS A 25 -32.930 18.010 -7.303 1.00 46.78 C ATOM 216 ND1 HIS A 25 -33.361 18.583 -6.129 1.00 48.73 N ATOM 217 CD2 HIS A 25 -32.263 16.867 -7.017 1.00 48.87 C ATOM 218 CE1 HIS A 25 -32.961 17.767 -5.169 1.00 48.35 C ATOM 219 NE2 HIS A 25 -32.293 16.723 -5.658 1.00 48.61 N ATOM 220 H HIS A 25 -33.124 16.269 -10.246 1.00 0.00 H ATOM 221 N ASP A 26 -34.566 19.941 -10.809 1.00 39.70 N ATOM 222 CA ASP A 26 -34.513 20.848 -11.931 1.00 40.21 C ATOM 223 C ASP A 26 -33.173 21.597 -11.785 1.00 43.52 C ATOM 224 O ASP A 26 -32.471 21.357 -10.807 1.00 42.14 O ATOM 225 CB ASP A 26 -35.740 21.794 -11.905 1.00 41.92 C ATOM 226 CG ASP A 26 -35.836 22.817 -10.779 1.00 52.18 C ATOM 227 OD1 ASP A 26 -34.962 22.806 -9.876 1.00 52.95 O ATOM 228 OD2 ASP A 26 -36.772 23.639 -10.811 1.00 54.07 O ATOM 229 H ASP A 26 -34.891 20.327 -9.900 1.00 0.00 H ATOM 230 N LYS A 27 -32.850 22.524 -12.707 1.00 40.85 N ATOM 231 CA LYS A 27 -31.623 23.333 -12.731 1.00 40.33 C ATOM 232 C LYS A 27 -31.196 23.957 -11.373 1.00 44.97 C ATOM 233 O LYS A 27 -30.024 24.288 -11.188 1.00 44.91 O ATOM 234 CB LYS A 27 -31.733 24.422 -13.810 1.00 42.53 C ATOM 235 CG LYS A 27 -32.777 25.503 -13.550 1.00 49.69 C ATOM 236 CD LYS A 27 -32.637 26.645 -14.544 1.00 58.49 C ATOM 237 CE LYS A 27 -33.639 27.745 -14.282 1.00 66.24 C ATOM 238 NZ LYS A 27 -33.584 28.800 -15.326 1.00 78.41 N ATOM 239 HZ1 LYS A 27 -32.633 29.220 -15.342 1.00 0.00 H ATOM 240 HZ2 LYS A 27 -33.794 28.379 -16.254 1.00 0.00 H ATOM 241 HZ3 LYS A 27 -34.286 29.536 -15.110 1.00 0.00 H ATOM 242 H LYS A 27 -33.533 22.682 -13.475 1.00 0.00 H ATOM 243 N ARG A 28 -32.144 24.096 -10.430 1.00 41.88 N ATOM 244 CA ARG A 28 -31.934 24.707 -9.122 1.00 40.78 C ATOM 245 C ARG A 28 -31.381 23.752 -8.057 1.00 42.05 C ATOM 246 O ARG A 28 -31.346 24.116 -6.882 1.00 40.94 O ATOM 247 CB ARG A 28 -33.220 25.409 -8.661 1.00 43.81 C ATOM 248 CG ARG A 28 -33.583 26.535 -9.624 1.00 49.53 C ATOM 249 CD ARG A 28 -34.978 27.063 -9.451 1.00 64.94 C ATOM 250 NE ARG A 28 -35.267 28.077 -10.465 1.00 70.50 N ATOM 251 CZ ARG A 28 -36.154 27.919 -11.437 1.00 75.83 C ATOM 252 NH1 ARG A 28 -36.345 28.883 -12.329 1.00 63.07 N ATOM 253 NH2 ARG A 28 -36.869 26.802 -11.518 1.00 53.96 N ATOM 254 HE ARG A 28 -34.745 28.976 -10.421 1.00 0.00 H ATOM 255 HH12 ARG A 28 -37.042 28.756 -13.091 1.00 0.00 H ATOM 256 HH11 ARG A 28 -35.798 29.765 -12.266 1.00 0.00 H ATOM 257 HH22 ARG A 28 -37.564 26.684 -12.283 1.00 0.00 H ATOM 258 HH21 ARG A 28 -36.734 26.046 -10.816 1.00 0.00 H ATOM 259 H ARG A 28 -33.097 23.742 -10.649 1.00 0.00 H ATOM 260 N PHE A 29 -30.884 22.568 -8.453 1.00 39.07 N ATOM 261 CA PHE A 29 -30.237 21.660 -7.508 1.00 37.78 C ATOM 262 C PHE A 29 -29.144 22.458 -6.749 1.00 44.09 C ATOM 263 O PHE A 29 -28.295 23.105 -7.376 1.00 43.94 O ATOM 264 CB PHE A 29 -29.662 20.438 -8.209 1.00 38.19 C ATOM 265 CG PHE A 29 -28.803 19.530 -7.346 1.00 39.02 C ATOM 266 CD1 PHE A 29 -29.346 18.862 -6.250 1.00 40.86 C ATOM 267 CD2 PHE A 29 -27.473 19.283 -7.676 1.00 39.76 C ATOM 268 CE1 PHE A 29 -28.556 18.024 -5.454 1.00 41.19 C ATOM 269 CE2 PHE A 29 -26.683 18.442 -6.885 1.00 42.73 C ATOM 270 CZ PHE A 29 -27.234 17.803 -5.788 1.00 41.03 C ATOM 271 H PHE A 29 -30.961 22.292 -9.453 1.00 0.00 H ATOM 272 N PRO A 30 -29.206 22.493 -5.403 1.00 42.00 N ATOM 273 CA PRO A 30 -28.259 23.322 -4.651 1.00 41.86 C ATOM 274 C PRO A 30 -26.812 22.848 -4.657 1.00 44.49 C ATOM 275 O PRO A 30 -25.888 23.670 -4.575 1.00 43.86 O ATOM 276 CB PRO A 30 -28.853 23.337 -3.228 1.00 43.84 C ATOM 277 CG PRO A 30 -30.221 22.798 -3.350 1.00 47.76 C ATOM 278 CD PRO A 30 -30.172 21.849 -4.494 1.00 43.58 C ATOM 279 N GLY A 31 -26.630 21.537 -4.727 1.00 38.89 N ATOM 280 CA GLY A 31 -25.309 20.945 -4.678 1.00 36.98 C ATOM 281 C GLY A 31 -25.185 19.889 -3.612 1.00 39.50 C ATOM 282 O GLY A 31 -26.183 19.365 -3.117 1.00 38.47 O ATOM 283 H GLY A 31 -27.459 20.916 -4.820 1.00 0.00 H ATOM 284 N PHE A 32 -23.943 19.548 -3.310 1.00 36.94 N ATOM 285 CA PHE A 32 -23.535 18.582 -2.309 1.00 37.75 C ATOM 286 C PHE A 32 -23.135 19.450 -1.104 1.00 44.25 C ATOM 287 O PHE A 32 -22.086 20.090 -1.102 1.00 43.22 O ATOM 288 CB PHE A 32 -22.391 17.715 -2.870 1.00 39.61 C ATOM 289 CG PHE A 32 -22.742 17.072 -4.200 1.00 41.11 C ATOM 290 CD1 PHE A 32 -22.312 17.637 -5.405 1.00 41.43 C ATOM 291 CD2 PHE A 32 -23.545 15.934 -4.252 1.00 41.99 C ATOM 292 CE1 PHE A 32 -22.673 17.074 -6.629 1.00 41.32 C ATOM 293 CE2 PHE A 32 -23.898 15.367 -5.483 1.00 44.09 C ATOM 294 CZ PHE A 32 -23.456 15.942 -6.661 1.00 41.45 C ATOM 295 H PHE A 32 -23.185 20.019 -3.843 1.00 0.00 H ATOM 296 N LEU A 33 -24.080 19.618 -0.175 1.00 43.27 N ATOM 297 CA LEU A 33 -23.904 20.498 0.979 1.00 44.17 C ATOM 298 C LEU A 33 -24.016 19.761 2.297 1.00 52.97 C ATOM 299 O LEU A 33 -23.415 20.210 3.268 1.00 53.25 O ATOM 300 CB LEU A 33 -24.955 21.633 0.958 1.00 43.75 C ATOM 301 CG LEU A 33 -25.387 22.233 -0.398 1.00 48.40 C ATOM 302 CD1 LEU A 33 -26.453 23.292 -0.192 1.00 48.16 C ATOM 303 CD2 LEU A 33 -24.211 22.865 -1.132 1.00 50.43 C ATOM 304 H LEU A 33 -24.977 19.102 -0.277 1.00 0.00 H ATOM 305 N ALA A 34 -24.840 18.677 2.351 1.00 52.51 N ATOM 306 CA ALA A 34 -25.163 17.893 3.556 1.00 53.30 C ATOM 307 C ALA A 34 -23.952 17.350 4.357 1.00 58.34 C ATOM 308 O ALA A 34 -23.814 17.686 5.540 1.00 59.44 O ATOM 309 CB ALA A 34 -26.116 16.753 3.203 1.00 54.06 C ATOM 310 H ALA A 34 -25.282 18.375 1.459 1.00 0.00 H ATOM 311 N GLY A 35 -23.140 16.495 3.737 1.00 53.60 N ATOM 312 CA GLY A 35 -21.975 15.876 4.365 1.00 53.06 C ATOM 313 C GLY A 35 -20.984 15.414 3.321 1.00 57.49 C ATOM 314 O GLY A 35 -21.318 15.412 2.131 1.00 57.35 O ATOM 315 H GLY A 35 -23.348 16.254 2.747 1.00 0.00 H ATOM 316 N ASN A 36 -19.754 15.035 3.745 1.00 54.23 N ATOM 317 CA ASN A 36 -18.691 14.588 2.827 1.00 54.34 C ATOM 318 C ASN A 36 -18.726 13.061 2.614 1.00 59.10 C ATOM 319 O ASN A 36 -17.779 12.334 2.957 1.00 58.05 O ATOM 320 CB ASN A 36 -17.293 15.105 3.246 1.00 55.59 C ATOM 321 CG ASN A 36 -16.338 15.381 2.085 1.00 82.25 C ATOM 322 OD1 ASN A 36 -15.140 15.058 2.116 1.00 71.33 O ATOM 323 ND2 ASN A 36 -16.836 15.997 1.028 1.00 76.55 N ATOM 324 HD22 ASN A 36 -17.841 16.265 1.008 1.00 0.00 H ATOM 325 HD21 ASN A 36 -16.223 16.214 0.216 1.00 0.00 H ATOM 326 H ASN A 36 -19.551 15.061 4.765 1.00 0.00 H ATOM 327 N LYS A 37 -19.859 12.596 2.036 1.00 55.70 N ATOM 328 CA LYS A 37 -20.178 11.203 1.709 1.00 54.81 C ATOM 329 C LYS A 37 -20.291 11.050 0.179 1.00 55.43 C ATOM 330 O LYS A 37 -20.413 12.059 -0.524 1.00 54.86 O ATOM 331 CB LYS A 37 -21.531 10.841 2.342 1.00 57.86 C ATOM 332 CG LYS A 37 -21.443 10.044 3.634 1.00 81.57 C ATOM 333 CD LYS A 37 -22.803 9.955 4.337 1.00 94.65 C ATOM 334 CE LYS A 37 -23.047 11.099 5.302 1.00106.00 C ATOM 335 NZ LYS A 37 -24.432 11.082 5.839 1.00114.23 N ATOM 336 HZ1 LYS A 37 -25.108 11.167 5.053 1.00 0.00 H ATOM 337 HZ2 LYS A 37 -24.596 10.188 6.344 1.00 0.00 H ATOM 338 HZ3 LYS A 37 -24.558 11.880 6.494 1.00 0.00 H ATOM 339 H LYS A 37 -20.582 13.305 1.798 1.00 0.00 H ATOM 340 N LEU A 38 -20.269 9.793 -0.326 1.00 49.51 N ATOM 341 CA LEU A 38 -20.447 9.477 -1.746 1.00 47.73 C ATOM 342 C LEU A 38 -21.871 9.842 -2.034 1.00 46.97 C ATOM 343 O LEU A 38 -22.773 9.375 -1.326 1.00 45.25 O ATOM 344 CB LEU A 38 -20.235 7.993 -1.998 1.00 48.19 C ATOM 345 CG LEU A 38 -19.466 7.619 -3.230 1.00 53.60 C ATOM 346 CD1 LEU A 38 -17.971 7.631 -2.949 1.00 55.94 C ATOM 347 CD2 LEU A 38 -19.875 6.241 -3.695 1.00 54.49 C ATOM 348 H LEU A 38 -20.116 9.004 0.334 1.00 0.00 H ATOM 349 N ALA A 39 -22.068 10.798 -2.971 1.00 39.95 N ATOM 350 CA ALA A 39 -23.388 11.341 -3.269 1.00 38.07 C ATOM 351 C ALA A 39 -23.602 11.583 -4.755 1.00 39.98 C ATOM 352 O ALA A 39 -22.661 11.906 -5.471 1.00 38.83 O ATOM 353 CB ALA A 39 -23.596 12.635 -2.495 1.00 38.23 C ATOM 354 H ALA A 39 -21.247 11.159 -3.498 1.00 0.00 H ATOM 355 N CYS A 40 -24.838 11.433 -5.216 1.00 35.73 N ATOM 356 CA CYS A 40 -25.170 11.682 -6.614 1.00 35.55 C ATOM 357 C CYS A 40 -26.578 12.250 -6.747 1.00 40.63 C ATOM 358 O CYS A 40 -27.289 12.334 -5.744 1.00 41.66 O ATOM 359 CB CYS A 40 -24.934 10.449 -7.495 1.00 35.10 C ATOM 360 SG CYS A 40 -25.845 8.967 -6.983 1.00 38.65 S ATOM 361 H CYS A 40 -25.589 11.130 -4.563 1.00 0.00 H ATOM 362 N ALA A 41 -26.947 12.731 -7.949 1.00 35.10 N ATOM 363 CA ALA A 41 -28.254 13.311 -8.261 1.00 34.50 C ATOM 364 C ALA A 41 -28.495 13.297 -9.776 1.00 39.83 C ATOM 365 O ALA A 41 -27.553 13.129 -10.557 1.00 38.50 O ATOM 366 CB ALA A 41 -28.320 14.753 -7.754 1.00 35.07 C ATOM 367 H ALA A 41 -26.247 12.687 -8.717 1.00 0.00 H ATOM 368 N ILE A 42 -29.763 13.494 -10.183 1.00 36.80 N ATOM 369 CA ILE A 42 -30.169 13.662 -11.581 1.00 35.35 C ATOM 370 C ILE A 42 -30.791 15.027 -11.619 1.00 40.17 C ATOM 371 O ILE A 42 -31.657 15.330 -10.804 1.00 40.17 O ATOM 372 CB ILE A 42 -31.006 12.498 -12.200 1.00 36.99 C ATOM 373 CG1 ILE A 42 -30.104 11.260 -12.340 1.00 35.54 C ATOM 374 CG2 ILE A 42 -31.544 12.893 -13.563 1.00 37.91 C ATOM 375 CD1 ILE A 42 -30.672 9.987 -12.812 1.00 36.07 C ATOM 376 H ILE A 42 -30.505 13.529 -9.455 1.00 0.00 H ATOM 377 N VAL A 43 -30.231 15.907 -12.454 1.00 36.84 N ATOM 378 CA VAL A 43 -30.618 17.318 -12.525 1.00 37.24 C ATOM 379 C VAL A 43 -31.051 17.680 -13.939 1.00 43.22 C ATOM 380 O VAL A 43 -30.387 17.294 -14.907 1.00 43.52 O ATOM 381 CB VAL A 43 -29.446 18.221 -12.047 1.00 39.80 C ATOM 382 CG1 VAL A 43 -29.830 19.699 -12.069 1.00 39.57 C ATOM 383 CG2 VAL A 43 -28.969 17.809 -10.657 1.00 39.03 C ATOM 384 H VAL A 43 -29.479 15.572 -13.089 1.00 0.00 H ATOM 385 N ASN A 44 -32.158 18.418 -14.052 1.00 40.00 N ATOM 386 CA ASN A 44 -32.641 18.846 -15.344 1.00 39.99 C ATOM 387 C ASN A 44 -31.984 20.170 -15.697 1.00 44.38 C ATOM 388 O ASN A 44 -31.765 20.984 -14.802 1.00 45.39 O ATOM 389 CB ASN A 44 -34.164 18.987 -15.343 1.00 37.20 C ATOM 390 CG ASN A 44 -34.752 18.941 -16.741 1.00 47.83 C ATOM 391 OD1 ASN A 44 -34.794 19.939 -17.462 1.00 40.07 O ATOM 392 ND2 ASN A 44 -35.166 17.768 -17.172 1.00 34.61 N ATOM 393 HD22 ASN A 44 -35.121 16.939 -16.546 1.00 0.00 H ATOM 394 HD21 ASN A 44 -35.538 17.671 -18.138 1.00 0.00 H ATOM 395 H ASN A 44 -32.681 18.689 -13.195 1.00 0.00 H ATOM 396 N THR A 45 -31.729 20.420 -17.001 1.00 39.50 N ATOM 397 CA THR A 45 -31.152 21.689 -17.468 1.00 38.81 C ATOM 398 C THR A 45 -32.109 22.853 -17.256 1.00 43.57 C ATOM 399 O THR A 45 -31.671 23.987 -17.111 1.00 42.65 O ATOM 400 CB THR A 45 -30.715 21.625 -18.934 1.00 42.22 C ATOM 401 OG1 THR A 45 -31.850 21.479 -19.799 1.00 41.91 O ATOM 402 CG2 THR A 45 -29.663 20.569 -19.193 1.00 37.75 C ATOM 403 HG1 THR A 45 -31.544 21.440 -20.740 1.00 0.00 H ATOM 404 H THR A 45 -31.950 19.685 -17.702 1.00 0.00 H ATOM 405 N ALA A 46 -33.412 22.572 -17.237 1.00 42.02 N ATOM 406 CA ALA A 46 -34.423 23.612 -17.092 1.00 42.56 C ATOM 407 C ALA A 46 -35.099 23.662 -15.707 1.00 48.51 C ATOM 408 O ALA A 46 -34.890 22.782 -14.886 1.00 48.05 O ATOM 409 CB ALA A 46 -35.454 23.453 -18.199 1.00 42.87 C ATOM 410 H ALA A 46 -33.716 21.582 -17.328 1.00 0.00 H ATOM 411 N GLY A 47 -35.873 24.713 -15.455 1.00 48.42 N ATOM 412 CA GLY A 47 -36.656 24.858 -14.231 1.00 48.41 C ATOM 413 C GLY A 47 -37.944 24.062 -14.362 1.00 51.07 C ATOM 414 O GLY A 47 -38.480 23.972 -15.469 1.00 49.73 O ATOM 415 H GLY A 47 -35.923 25.471 -16.166 1.00 0.00 H ATOM 416 N ARG A 48 -38.453 23.469 -13.247 1.00 47.96 N ATOM 417 CA ARG A 48 -39.673 22.628 -13.211 1.00 49.08 C ATOM 418 C ARG A 48 -40.891 23.216 -13.955 1.00 54.88 C ATOM 419 O ARG A 48 -41.686 22.464 -14.531 1.00 54.48 O ATOM 420 CB ARG A 48 -40.063 22.273 -11.756 1.00 49.98 C ATOM 421 CG ARG A 48 -41.197 21.238 -11.656 1.00 63.41 C ATOM 422 CD ARG A 48 -41.548 20.865 -10.229 1.00 74.36 C ATOM 423 NE ARG A 48 -40.567 19.938 -9.658 1.00 76.91 N ATOM 424 CZ ARG A 48 -40.634 18.616 -9.774 1.00 87.09 C ATOM 425 NH1 ARG A 48 -39.698 17.850 -9.229 1.00 73.15 N ATOM 426 NH2 ARG A 48 -41.638 18.048 -10.435 1.00 67.15 N ATOM 427 HE ARG A 48 -39.768 20.340 -9.128 1.00 0.00 H ATOM 428 HH12 ARG A 48 -39.754 16.816 -9.322 1.00 0.00 H ATOM 429 HH11 ARG A 48 -38.909 18.284 -8.709 1.00 0.00 H ATOM 430 HH22 ARG A 48 -41.684 17.013 -10.522 1.00 0.00 H ATOM 431 HH21 ARG A 48 -42.378 18.639 -10.865 1.00 0.00 H ATOM 432 H ARG A 48 -37.946 23.618 -12.351 1.00 0.00 H ATOM 433 N GLU A 49 -41.024 24.555 -13.903 1.00 53.37 N ATOM 434 CA GLU A 49 -42.081 25.368 -14.506 1.00 54.33 C ATOM 435 C GLU A 49 -42.083 25.326 -16.034 1.00 58.22 C ATOM 436 O GLU A 49 -43.133 25.547 -16.642 1.00 58.07 O ATOM 437 CB GLU A 49 -42.006 26.827 -13.994 1.00 55.94 C ATOM 438 CG GLU A 49 -40.811 27.638 -14.490 1.00 65.40 C ATOM 439 CD GLU A 49 -39.515 27.550 -13.701 1.00 81.12 C ATOM 440 OE1 GLU A 49 -38.700 28.492 -13.822 1.00 52.28 O ATOM 441 OE2 GLU A 49 -39.318 26.566 -12.950 1.00 79.71 O ATOM 442 H GLU A 49 -40.292 25.070 -13.374 1.00 0.00 H ATOM 443 N THR A 50 -40.916 25.075 -16.658 1.00 53.94 N ATOM 444 CA THR A 50 -40.837 24.988 -18.115 1.00 53.20 C ATOM 445 C THR A 50 -41.316 23.603 -18.569 1.00 55.63 C ATOM 446 O THR A 50 -41.691 23.436 -19.734 1.00 54.27 O ATOM 447 CB THR A 50 -39.442 25.322 -18.621 1.00 63.81 C ATOM 448 OG1 THR A 50 -38.528 24.341 -18.139 1.00 65.49 O ATOM 449 CG2 THR A 50 -38.998 26.729 -18.242 1.00 62.85 C ATOM 450 HG1 THR A 50 -38.535 24.344 -17.149 1.00 0.00 H ATOM 451 H THR A 50 -40.054 24.940 -16.092 1.00 0.00 H ATOM 452 N GLY A 51 -41.294 22.641 -17.638 1.00 51.77 N ATOM 453 CA GLY A 51 -41.733 21.263 -17.852 1.00 51.60 C ATOM 454 C GLY A 51 -40.645 20.227 -18.058 1.00 55.33 C ATOM 455 O GLY A 51 -40.954 19.036 -18.198 1.00 55.79 O ATOM 456 H GLY A 51 -40.939 22.892 -16.693 1.00 0.00 H ATOM 457 N GLY A 52 -39.385 20.670 -18.074 1.00 50.98 N ATOM 458 CA GLY A 52 -38.234 19.795 -18.282 1.00 49.79 C ATOM 459 C GLY A 52 -37.777 19.743 -19.726 1.00 52.21 C ATOM 460 O GLY A 52 -38.604 19.706 -20.643 1.00 51.48 O ATOM 461 H GLY A 52 -39.215 21.686 -17.932 1.00 0.00 H ATOM 462 N VAL A 53 -36.442 19.742 -19.941 1.00 46.56 N ATOM 463 CA VAL A 53 -35.845 19.773 -21.280 1.00 43.97 C ATOM 464 C VAL A 53 -34.794 18.688 -21.471 1.00 45.19 C ATOM 465 O VAL A 53 -34.837 17.975 -22.469 1.00 44.16 O ATOM 466 CB VAL A 53 -35.269 21.191 -21.561 1.00 47.10 C ATOM 467 CG1 VAL A 53 -34.387 21.220 -22.812 1.00 47.02 C ATOM 468 CG2 VAL A 53 -36.374 22.240 -21.641 1.00 46.57 C ATOM 469 H VAL A 53 -35.808 19.718 -19.117 1.00 0.00 H ATOM 470 N HIS A 54 -33.800 18.607 -20.565 1.00 40.10 N ATOM 471 CA HIS A 54 -32.712 17.642 -20.729 1.00 38.05 C ATOM 472 C HIS A 54 -32.215 17.089 -19.385 1.00 38.56 C ATOM 473 O HIS A 54 -32.225 17.800 -18.408 1.00 37.08 O ATOM 474 CB HIS A 54 -31.576 18.325 -21.533 1.00 37.77 C ATOM 475 CG HIS A 54 -30.375 17.466 -21.804 1.00 40.70 C ATOM 476 ND1 HIS A 54 -30.483 16.253 -22.454 1.00 42.52 N ATOM 477 CD2 HIS A 54 -29.069 17.716 -21.564 1.00 41.87 C ATOM 478 CE1 HIS A 54 -29.251 15.777 -22.533 1.00 42.01 C ATOM 479 NE2 HIS A 54 -28.369 16.623 -22.004 1.00 42.23 N ATOM 480 H HIS A 54 -33.806 19.238 -19.739 1.00 0.00 H ATOM 481 N TRP A 55 -31.758 15.848 -19.347 1.00 37.99 N ATOM 482 CA TRP A 55 -31.270 15.291 -18.091 1.00 39.27 C ATOM 483 C TRP A 55 -29.747 15.192 -17.993 1.00 39.02 C ATOM 484 O TRP A 55 -29.089 14.747 -18.935 1.00 35.28 O ATOM 485 CB TRP A 55 -31.906 13.930 -17.782 1.00 39.12 C ATOM 486 CG TRP A 55 -33.383 13.981 -17.523 1.00 41.72 C ATOM 487 CD1 TRP A 55 -34.367 13.477 -18.320 1.00 44.55 C ATOM 488 CD2 TRP A 55 -34.043 14.508 -16.354 1.00 42.23 C ATOM 489 NE1 TRP A 55 -35.591 13.636 -17.718 1.00 44.03 N ATOM 490 CE2 TRP A 55 -35.429 14.321 -16.540 1.00 45.83 C ATOM 491 CE3 TRP A 55 -33.602 15.191 -15.203 1.00 44.02 C ATOM 492 CZ2 TRP A 55 -36.374 14.719 -15.583 1.00 45.59 C ATOM 493 CZ3 TRP A 55 -34.541 15.608 -14.270 1.00 45.75 C ATOM 494 CH2 TRP A 55 -35.909 15.373 -14.465 1.00 46.21 C ATOM 495 HE1 TRP A 55 -36.497 13.292 -18.095 1.00 0.00 H ATOM 496 H TRP A 55 -31.747 15.271 -20.212 1.00 0.00 H ATOM 497 N LEU A 56 -29.220 15.539 -16.803 1.00 35.51 N ATOM 498 CA LEU A 56 -27.786 15.481 -16.442 1.00 35.35 C ATOM 499 C LEU A 56 -27.590 14.693 -15.133 1.00 39.00 C ATOM 500 O LEU A 56 -28.493 14.674 -14.275 1.00 38.60 O ATOM 501 CB LEU A 56 -27.220 16.899 -16.266 1.00 35.13 C ATOM 502 CG LEU A 56 -27.466 17.874 -17.409 1.00 39.46 C ATOM 503 CD1 LEU A 56 -27.060 19.225 -17.020 1.00 38.78 C ATOM 504 CD2 LEU A 56 -26.754 17.428 -18.683 1.00 43.09 C ATOM 505 H LEU A 56 -29.879 15.878 -16.073 1.00 0.00 H ATOM 506 N ALA A 57 -26.432 14.038 -14.982 1.00 32.23 N ATOM 507 CA ALA A 57 -26.124 13.296 -13.749 1.00 31.05 C ATOM 508 C ALA A 57 -24.925 13.938 -13.043 1.00 34.11 C ATOM 509 O ALA A 57 -23.954 14.309 -13.690 1.00 31.38 O ATOM 510 CB ALA A 57 -25.846 11.845 -14.046 1.00 31.41 C ATOM 511 H ALA A 57 -25.735 14.054 -15.753 1.00 0.00 H ATOM 512 N PHE A 58 -25.049 14.164 -11.734 1.00 31.10 N ATOM 513 CA PHE A 58 -24.008 14.789 -10.917 1.00 31.00 C ATOM 514 C PHE A 58 -23.620 13.839 -9.805 1.00 38.01 C ATOM 515 O PHE A 58 -24.491 13.263 -9.137 1.00 37.68 O ATOM 516 CB PHE A 58 -24.497 16.112 -10.313 1.00 31.61 C ATOM 517 CG PHE A 58 -24.478 17.313 -11.233 1.00 32.54 C ATOM 518 CD1 PHE A 58 -25.616 17.684 -11.942 1.00 34.74 C ATOM 519 CD2 PHE A 58 -23.332 18.089 -11.366 1.00 32.26 C ATOM 520 CE1 PHE A 58 -25.618 18.823 -12.742 1.00 34.65 C ATOM 521 CE2 PHE A 58 -23.341 19.236 -12.141 1.00 34.01 C ATOM 522 CZ PHE A 58 -24.473 19.588 -12.849 1.00 32.71 C ATOM 523 H PHE A 58 -25.935 13.880 -11.268 1.00 0.00 H ATOM 524 N GLY A 59 -22.328 13.644 -9.658 1.00 35.11 N ATOM 525 CA GLY A 59 -21.761 12.798 -8.624 1.00 35.86 C ATOM 526 C GLY A 59 -20.726 13.563 -7.836 1.00 42.65 C ATOM 527 O GLY A 59 -20.147 14.530 -8.339 1.00 42.36 O ATOM 528 H GLY A 59 -21.679 14.120 -10.316 1.00 0.00 H ATOM 529 N TRP A 60 -20.517 13.143 -6.589 1.00 41.65 N ATOM 530 CA TRP A 60 -19.522 13.666 -5.661 1.00 42.10 C ATOM 531 C TRP A 60 -18.727 12.533 -5.040 1.00 43.44 C ATOM 532 O TRP A 60 -19.290 11.645 -4.384 1.00 41.78 O ATOM 533 CB TRP A 60 -20.156 14.542 -4.572 1.00 42.39 C ATOM 534 CG TRP A 60 -19.186 15.022 -3.539 1.00 45.04 C ATOM 535 CD1 TRP A 60 -19.054 14.560 -2.261 1.00 48.46 C ATOM 536 CD2 TRP A 60 -18.178 16.030 -3.709 1.00 45.84 C ATOM 537 NE1 TRP A 60 -18.055 15.251 -1.608 1.00 48.12 N ATOM 538 CE2 TRP A 60 -17.497 16.156 -2.475 1.00 49.95 C ATOM 539 CE3 TRP A 60 -17.788 16.851 -4.785 1.00 47.87 C ATOM 540 CZ2 TRP A 60 -16.439 17.057 -2.291 1.00 49.93 C ATOM 541 CZ3 TRP A 60 -16.736 17.739 -4.601 1.00 49.93 C ATOM 542 CH2 TRP A 60 -16.093 17.855 -3.358 1.00 50.59 C ATOM 543 HE1 TRP A 60 -17.770 15.109 -0.618 1.00 0.00 H ATOM 544 H TRP A 60 -21.121 12.369 -6.245 1.00 0.00 H ATOM 545 N ASN A 61 -17.413 12.556 -5.262 1.00 39.85 N ATOM 546 CA ASN A 61 -16.524 11.598 -4.637 1.00 40.56 C ATOM 547 C ASN A 61 -15.735 12.377 -3.542 1.00 47.13 C ATOM 548 O ASN A 61 -15.051 13.349 -3.867 1.00 44.37 O ATOM 549 CB ASN A 61 -15.605 10.938 -5.662 1.00 44.46 C ATOM 550 CG ASN A 61 -14.715 9.866 -5.078 1.00 59.13 C ATOM 551 OD1 ASN A 61 -14.879 9.420 -3.939 1.00 58.27 O ATOM 552 ND2 ASN A 61 -13.737 9.445 -5.845 1.00 50.86 N ATOM 553 HD22 ASN A 61 -13.620 9.837 -6.801 1.00 0.00 H ATOM 554 HD21 ASN A 61 -13.078 8.719 -5.497 1.00 0.00 H ATOM 555 H ASN A 61 -17.017 13.278 -5.898 1.00 0.00 H ATOM 556 N PRO A 62 -15.896 12.042 -2.242 1.00 47.85 N ATOM 557 CA PRO A 62 -15.210 12.826 -1.204 1.00 49.22 C ATOM 558 C PRO A 62 -13.739 12.484 -1.006 1.00 57.82 C ATOM 559 O PRO A 62 -13.036 13.278 -0.393 1.00 59.92 O ATOM 560 CB PRO A 62 -16.030 12.522 0.043 1.00 51.02 C ATOM 561 CG PRO A 62 -16.475 11.105 -0.164 1.00 55.24 C ATOM 562 CD PRO A 62 -16.735 10.978 -1.643 1.00 50.19 C ATOM 563 N ARG A 63 -13.281 11.318 -1.505 1.00 56.12 N ATOM 564 CA ARG A 63 -11.909 10.799 -1.380 1.00 57.23 C ATOM 565 C ARG A 63 -10.967 11.359 -2.455 1.00 62.10 C ATOM 566 O ARG A 63 -9.796 10.969 -2.529 1.00 63.42 O ATOM 567 CB ARG A 63 -11.920 9.250 -1.445 1.00 59.31 C ATOM 568 CG ARG A 63 -11.674 8.535 -0.107 1.00 65.50 C ATOM 569 CD ARG A 63 -11.231 7.086 -0.282 1.00 73.73 C ATOM 570 NE ARG A 63 -10.059 6.954 -1.164 1.00 82.22 N ATOM 571 CZ ARG A 63 -8.786 6.990 -0.764 1.00 90.25 C ATOM 572 NH1 ARG A 63 -7.804 6.871 -1.648 1.00 81.23 N ATOM 573 NH2 ARG A 63 -8.487 7.145 0.525 1.00 58.04 N ATOM 574 HE ARG A 63 -10.238 6.822 -2.180 1.00 0.00 H ATOM 575 HH12 ARG A 63 -6.814 6.900 -1.332 1.00 0.00 H ATOM 576 HH11 ARG A 63 -8.025 6.749 -2.657 1.00 0.00 H ATOM 577 HH22 ARG A 63 -7.493 7.172 0.829 1.00 0.00 H ATOM 578 HH21 ARG A 63 -9.248 7.239 1.228 1.00 0.00 H ATOM 579 H ARG A 63 -13.961 10.730 -2.027 1.00 0.00 H ATOM 580 N SER A 64 -11.484 12.243 -3.300 1.00 56.96 N ATOM 581 CA SER A 64 -10.730 12.862 -4.379 1.00 56.16 C ATOM 582 C SER A 64 -11.184 14.306 -4.520 1.00 58.10 C ATOM 583 O SER A 64 -10.581 15.060 -5.285 1.00 58.96 O ATOM 584 CB SER A 64 -10.991 12.115 -5.685 1.00 60.68 C ATOM 585 OG SER A 64 -12.359 12.187 -6.055 1.00 68.32 O ATOM 586 HG SER A 64 -12.617 13.135 -6.176 1.00 0.00 H ATOM 587 H SER A 64 -12.483 12.507 -3.184 1.00 0.00 H ATOM 588 N ARG A 65 -12.268 14.676 -3.792 1.00 52.22 N ATOM 589 CA ARG A 65 -12.943 15.974 -3.839 1.00 51.30 C ATOM 590 C ARG A 65 -13.266 16.316 -5.310 1.00 49.41 C ATOM 591 O ARG A 65 -12.843 17.348 -5.846 1.00 47.20 O ATOM 592 CB ARG A 65 -12.154 17.077 -3.089 1.00 53.97 C ATOM 593 CG ARG A 65 -12.521 17.218 -1.594 1.00 66.64 C ATOM 594 CD ARG A 65 -11.530 16.572 -0.630 1.00 79.68 C ATOM 595 NE ARG A 65 -10.151 16.988 -0.905 1.00 90.06 N ATOM 596 CZ ARG A 65 -9.195 16.182 -1.367 1.00 96.34 C ATOM 597 NH1 ARG A 65 -7.985 16.659 -1.625 1.00 83.92 N ATOM 598 NH2 ARG A 65 -9.442 14.891 -1.565 1.00 66.64 N ATOM 599 HE ARG A 65 -9.901 17.982 -0.727 1.00 0.00 H ATOM 600 HH12 ARG A 65 -7.243 16.026 -1.985 1.00 0.00 H ATOM 601 HH11 ARG A 65 -7.778 17.666 -1.467 1.00 0.00 H ATOM 602 HH22 ARG A 65 -8.692 14.267 -1.926 1.00 0.00 H ATOM 603 HH21 ARG A 65 -10.385 14.505 -1.359 1.00 0.00 H ATOM 604 H ARG A 65 -12.657 13.968 -3.137 1.00 0.00 H ATOM 605 N THR A 66 -13.918 15.353 -5.983 1.00 44.05 N ATOM 606 CA THR A 66 -14.296 15.465 -7.392 1.00 42.78 C ATOM 607 C THR A 66 -15.809 15.512 -7.579 1.00 43.54 C ATOM 608 O THR A 66 -16.549 14.649 -7.086 1.00 41.28 O ATOM 609 CB THR A 66 -13.675 14.351 -8.258 1.00 40.07 C ATOM 610 OG1 THR A 66 -12.285 14.267 -7.972 1.00 46.32 O ATOM 611 CG2 THR A 66 -13.892 14.571 -9.796 1.00 31.28 C ATOM 612 HG1 THR A 66 -12.159 14.056 -7.013 1.00 0.00 H ATOM 613 H THR A 66 -14.168 14.481 -5.475 1.00 0.00 H ATOM 614 N CYS A 67 -16.253 16.505 -8.339 1.00 39.23 N ATOM 615 CA CYS A 67 -17.630 16.555 -8.761 1.00 37.72 C ATOM 616 C CYS A 67 -17.650 16.095 -10.209 1.00 40.97 C ATOM 617 O CYS A 67 -17.048 16.737 -11.079 1.00 39.14 O ATOM 618 CB CYS A 67 -18.244 17.937 -8.605 1.00 37.80 C ATOM 619 SG CYS A 67 -19.955 18.043 -9.201 1.00 41.00 S ATOM 620 H CYS A 67 -15.598 17.257 -8.634 1.00 0.00 H ATOM 621 N TYR A 68 -18.317 14.955 -10.457 1.00 36.30 N ATOM 622 CA TYR A 68 -18.509 14.464 -11.803 1.00 35.98 C ATOM 623 C TYR A 68 -19.789 15.037 -12.362 1.00 36.54 C ATOM 624 O TYR A 68 -20.814 14.948 -11.698 1.00 36.07 O ATOM 625 CB TYR A 68 -18.589 12.919 -11.836 1.00 37.31 C ATOM 626 CG TYR A 68 -17.260 12.276 -11.525 1.00 39.96 C ATOM 627 CD1 TYR A 68 -16.938 11.885 -10.227 1.00 42.18 C ATOM 628 CD2 TYR A 68 -16.304 12.096 -12.517 1.00 41.34 C ATOM 629 CE1 TYR A 68 -15.691 11.335 -9.926 1.00 43.19 C ATOM 630 CE2 TYR A 68 -15.054 11.551 -12.227 1.00 42.96 C ATOM 631 CZ TYR A 68 -14.744 11.193 -10.927 1.00 51.76 C ATOM 632 OH TYR A 68 -13.504 10.669 -10.657 1.00 56.84 O ATOM 633 HH TYR A 68 -13.436 10.465 -9.691 1.00 0.00 H ATOM 634 H TYR A 68 -18.705 14.412 -9.660 1.00 0.00 H ATOM 635 N MET A 69 -19.729 15.638 -13.564 1.00 31.17 N ATOM 636 CA MET A 69 -20.918 16.114 -14.275 1.00 31.07 C ATOM 637 C MET A 69 -21.006 15.256 -15.546 1.00 35.39 C ATOM 638 O MET A 69 -20.059 15.235 -16.347 1.00 33.57 O ATOM 639 CB MET A 69 -20.862 17.617 -14.608 1.00 33.30 C ATOM 640 CG MET A 69 -22.186 18.183 -15.193 1.00 36.79 C ATOM 641 SD MET A 69 -22.662 17.781 -16.921 1.00 40.47 S ATOM 642 CE MET A 69 -21.327 18.583 -17.825 1.00 37.54 C ATOM 643 H MET A 69 -18.798 15.770 -14.008 1.00 0.00 H ATOM 644 N PHE A 70 -22.123 14.528 -15.709 1.00 33.45 N ATOM 645 CA PHE A 70 -22.339 13.680 -16.883 1.00 33.96 C ATOM 646 C PHE A 70 -23.491 14.184 -17.736 1.00 38.19 C ATOM 647 O PHE A 70 -24.634 14.216 -17.286 1.00 38.76 O ATOM 648 CB PHE A 70 -22.483 12.180 -16.523 1.00 35.47 C ATOM 649 CG PHE A 70 -22.794 11.266 -17.699 1.00 37.11 C ATOM 650 CD1 PHE A 70 -21.775 10.739 -18.480 1.00 40.43 C ATOM 651 CD2 PHE A 70 -24.110 10.945 -18.025 1.00 37.73 C ATOM 652 CE1 PHE A 70 -22.061 9.882 -19.542 1.00 42.47 C ATOM 653 CE2 PHE A 70 -24.396 10.093 -19.089 1.00 40.50 C ATOM 654 CZ PHE A 70 -23.373 9.563 -19.842 1.00 39.68 C ATOM 655 H PHE A 70 -22.860 14.568 -14.976 1.00 0.00 H ATOM 656 N ASP A 71 -23.162 14.630 -18.961 1.00 34.73 N ATOM 657 CA ASP A 71 -24.098 15.049 -19.997 1.00 33.57 C ATOM 658 C ASP A 71 -23.978 13.934 -21.025 1.00 36.55 C ATOM 659 O ASP A 71 -22.878 13.733 -21.551 1.00 35.47 O ATOM 660 CB ASP A 71 -23.714 16.418 -20.617 1.00 35.85 C ATOM 661 CG ASP A 71 -24.535 16.848 -21.842 1.00 43.63 C ATOM 662 OD1 ASP A 71 -25.600 16.240 -22.098 1.00 42.50 O ATOM 663 OD2 ASP A 71 -24.119 17.795 -22.529 1.00 49.29 O ATOM 664 H ASP A 71 -22.149 14.681 -19.190 1.00 0.00 H ATOM 665 N PRO A 72 -25.053 13.131 -21.262 1.00 33.23 N ATOM 666 CA PRO A 72 -24.944 12.004 -22.231 1.00 32.23 C ATOM 667 C PRO A 72 -24.379 12.395 -23.605 1.00 35.06 C ATOM 668 O PRO A 72 -23.750 11.585 -24.278 1.00 33.58 O ATOM 669 CB PRO A 72 -26.379 11.469 -22.330 1.00 33.54 C ATOM 670 CG PRO A 72 -27.243 12.525 -21.713 1.00 37.09 C ATOM 671 CD PRO A 72 -26.416 13.221 -20.694 1.00 33.52 C ATOM 672 N PHE A 73 -24.572 13.661 -23.963 1.00 33.11 N ATOM 673 CA PHE A 73 -24.128 14.340 -25.181 1.00 33.63 C ATOM 674 C PHE A 73 -22.692 14.910 -25.096 1.00 35.24 C ATOM 675 O PHE A 73 -22.188 15.378 -26.107 1.00 35.68 O ATOM 676 CB PHE A 73 -25.101 15.498 -25.480 1.00 35.87 C ATOM 677 CG PHE A 73 -26.455 15.122 -26.048 1.00 38.43 C ATOM 678 CD1 PHE A 73 -27.584 15.860 -25.733 1.00 39.84 C ATOM 679 CD2 PHE A 73 -26.585 14.057 -26.944 1.00 41.54 C ATOM 680 CE1 PHE A 73 -28.815 15.554 -26.304 1.00 42.27 C ATOM 681 CE2 PHE A 73 -27.821 13.750 -27.513 1.00 44.21 C ATOM 682 CZ PHE A 73 -28.926 14.496 -27.186 1.00 42.28 C ATOM 683 H PHE A 73 -25.108 14.245 -23.290 1.00 0.00 H ATOM 684 N GLY A 74 -22.095 14.919 -23.899 1.00 30.08 N ATOM 685 CA GLY A 74 -20.763 15.465 -23.622 1.00 28.98 C ATOM 686 C GLY A 74 -20.570 16.902 -24.070 1.00 31.49 C ATOM 687 O GLY A 74 -19.509 17.250 -24.576 1.00 32.41 O ATOM 688 H GLY A 74 -22.618 14.505 -23.101 1.00 0.00 H ATOM 689 N PHE A 75 -21.592 17.742 -23.944 1.00 30.95 N ATOM 690 CA PHE A 75 -21.456 19.165 -24.267 1.00 32.10 C ATOM 691 C PHE A 75 -20.611 19.831 -23.186 1.00 38.76 C ATOM 692 O PHE A 75 -20.646 19.430 -22.029 1.00 38.10 O ATOM 693 CB PHE A 75 -22.793 19.902 -24.338 1.00 34.38 C ATOM 694 CG PHE A 75 -23.594 19.695 -25.603 1.00 37.87 C ATOM 695 CD1 PHE A 75 -24.855 19.105 -25.558 1.00 41.98 C ATOM 696 CD2 PHE A 75 -23.109 20.131 -26.835 1.00 40.87 C ATOM 697 CE1 PHE A 75 -25.609 18.937 -26.727 1.00 42.92 C ATOM 698 CE2 PHE A 75 -23.855 19.949 -28.006 1.00 43.93 C ATOM 699 CZ PHE A 75 -25.102 19.357 -27.942 1.00 42.59 C ATOM 700 H PHE A 75 -22.508 17.382 -23.609 1.00 0.00 H ATOM 701 N SER A 76 -19.860 20.847 -23.577 1.00 35.38 N ATOM 702 CA SER A 76 -19.023 21.637 -22.691 1.00 34.63 C ATOM 703 C SER A 76 -19.956 22.563 -21.918 1.00 40.69 C ATOM 704 O SER A 76 -21.100 22.781 -22.357 1.00 40.22 O ATOM 705 CB SER A 76 -18.050 22.454 -23.527 1.00 31.84 C ATOM 706 OG SER A 76 -18.781 23.414 -24.263 1.00 27.99 O ATOM 707 HG SER A 76 -19.268 24.007 -23.637 1.00 0.00 H ATOM 708 H SER A 76 -19.869 21.097 -24.586 1.00 0.00 H ATOM 709 N ASP A 77 -19.486 23.142 -20.794 1.00 37.11 N ATOM 710 CA ASP A 77 -20.343 24.065 -20.044 1.00 36.54 C ATOM 711 C ASP A 77 -20.841 25.218 -20.905 1.00 37.87 C ATOM 712 O ASP A 77 -21.982 25.661 -20.753 1.00 35.71 O ATOM 713 CB ASP A 77 -19.624 24.599 -18.800 1.00 38.90 C ATOM 714 CG ASP A 77 -19.408 23.541 -17.725 1.00 47.53 C ATOM 715 OD1 ASP A 77 -18.939 23.900 -16.627 1.00 48.44 O ATOM 716 OD2 ASP A 77 -19.705 22.354 -17.987 1.00 50.42 O ATOM 717 H ASP A 77 -18.522 22.935 -20.462 1.00 0.00 H ATOM 718 N ARG A 78 -19.971 25.710 -21.807 1.00 34.55 N ATOM 719 CA ARG A 78 -20.262 26.806 -22.732 1.00 33.42 C ATOM 720 C ARG A 78 -21.453 26.432 -23.644 1.00 35.40 C ATOM 721 O ARG A 78 -22.293 27.272 -23.947 1.00 35.28 O ATOM 722 CB ARG A 78 -19.026 27.070 -23.630 1.00 34.45 C ATOM 723 CG ARG A 78 -17.788 27.625 -22.906 1.00 49.39 C ATOM 724 CD ARG A 78 -16.806 28.304 -23.870 1.00 40.21 C ATOM 725 NE ARG A 78 -17.375 29.525 -24.444 1.00 48.12 N ATOM 726 CZ ARG A 78 -16.818 30.229 -25.429 1.00 60.67 C ATOM 727 NH1 ARG A 78 -15.659 29.847 -25.957 1.00 40.61 N ATOM 728 NH2 ARG A 78 -17.411 31.328 -25.886 1.00 38.38 N ATOM 729 HE ARG A 78 -18.277 29.867 -24.056 1.00 0.00 H ATOM 730 HH12 ARG A 78 -15.230 30.401 -26.725 1.00 0.00 H ATOM 731 HH11 ARG A 78 -15.182 28.994 -25.602 1.00 0.00 H ATOM 732 HH22 ARG A 78 -16.972 31.874 -26.655 1.00 0.00 H ATOM 733 HH21 ARG A 78 -18.313 31.641 -25.475 1.00 0.00 H ATOM 734 H ARG A 78 -19.025 25.281 -21.849 1.00 0.00 H ATOM 735 N ARG A 79 -21.464 25.193 -24.123 1.00 34.25 N ATOM 736 CA ARG A 79 -22.506 24.667 -25.016 1.00 34.85 C ATOM 737 C ARG A 79 -23.784 24.378 -24.231 1.00 41.23 C ATOM 738 O ARG A 79 -24.860 24.717 -24.708 1.00 42.78 O ATOM 739 CB ARG A 79 -21.999 23.462 -25.803 1.00 33.31 C ATOM 740 CG ARG A 79 -21.073 23.852 -26.962 1.00 42.48 C ATOM 741 CD ARG A 79 -21.835 24.403 -28.160 1.00 47.80 C ATOM 742 NE ARG A 79 -22.182 23.354 -29.119 1.00 48.83 N ATOM 743 CZ ARG A 79 -23.115 23.490 -30.053 1.00 50.77 C ATOM 744 NH1 ARG A 79 -23.813 24.611 -30.141 1.00 34.24 N ATOM 745 NH2 ARG A 79 -23.376 22.493 -30.890 1.00 34.23 N ATOM 746 HE ARG A 79 -21.669 22.451 -29.066 1.00 0.00 H ATOM 747 HH12 ARG A 79 -24.543 24.713 -30.875 1.00 0.00 H ATOM 748 HH11 ARG A 79 -23.631 25.390 -29.477 1.00 0.00 H ATOM 749 HH22 ARG A 79 -24.108 22.605 -31.620 1.00 0.00 H ATOM 750 HH21 ARG A 79 -22.848 21.600 -30.816 1.00 0.00 H ATOM 751 H ARG A 79 -20.688 24.557 -23.849 1.00 0.00 H ATOM 752 N LEU A 80 -23.662 23.904 -22.974 1.00 37.11 N ATOM 753 CA LEU A 80 -24.820 23.729 -22.088 1.00 35.89 C ATOM 754 C LEU A 80 -25.493 25.044 -21.803 1.00 39.07 C ATOM 755 O LEU A 80 -26.725 25.096 -21.796 1.00 38.34 O ATOM 756 CB LEU A 80 -24.422 23.074 -20.755 1.00 35.31 C ATOM 757 CG LEU A 80 -23.939 21.642 -20.808 1.00 38.32 C ATOM 758 CD1 LEU A 80 -23.457 21.222 -19.459 1.00 39.10 C ATOM 759 CD2 LEU A 80 -25.049 20.683 -21.237 1.00 40.40 C ATOM 760 H LEU A 80 -22.716 23.654 -22.621 1.00 0.00 H ATOM 761 N LYS A 81 -24.700 26.113 -21.551 1.00 35.76 N ATOM 762 CA LYS A 81 -25.255 27.439 -21.301 1.00 36.52 C ATOM 763 C LYS A 81 -25.964 28.006 -22.573 1.00 39.82 C ATOM 764 O LYS A 81 -27.009 28.653 -22.478 1.00 40.52 O ATOM 765 CB LYS A 81 -24.161 28.398 -20.759 1.00 39.41 C ATOM 766 CG LYS A 81 -24.624 29.844 -20.460 1.00 59.28 C ATOM 767 CD LYS A 81 -25.682 29.979 -19.349 1.00 71.71 C ATOM 768 CE LYS A 81 -26.258 31.374 -19.253 1.00 83.33 C ATOM 769 NZ LYS A 81 -27.290 31.469 -18.185 1.00 93.71 N ATOM 770 HZ1 LYS A 81 -28.065 30.807 -18.393 1.00 0.00 H ATOM 771 HZ2 LYS A 81 -26.862 31.226 -17.269 1.00 0.00 H ATOM 772 HZ3 LYS A 81 -27.662 32.440 -18.149 1.00 0.00 H ATOM 773 H LYS A 81 -23.668 25.985 -21.535 1.00 0.00 H ATOM 774 N GLN A 82 -25.400 27.739 -23.742 1.00 35.33 N ATOM 775 CA GLN A 82 -25.934 28.230 -25.015 1.00 35.59 C ATOM 776 C GLN A 82 -27.224 27.503 -25.456 1.00 40.00 C ATOM 777 O GLN A 82 -28.241 28.151 -25.757 1.00 40.12 O ATOM 778 CB GLN A 82 -24.864 28.119 -26.111 1.00 36.23 C ATOM 779 CG GLN A 82 -25.309 28.799 -27.408 1.00 37.48 C ATOM 780 CD GLN A 82 -24.409 28.521 -28.571 1.00 48.37 C ATOM 781 OE1 GLN A 82 -24.274 29.354 -29.461 1.00 44.63 O ATOM 782 NE2 GLN A 82 -23.795 27.345 -28.611 1.00 45.25 N ATOM 783 HE22 GLN A 82 -23.931 26.661 -27.840 1.00 0.00 H ATOM 784 HE21 GLN A 82 -23.178 27.108 -29.414 1.00 0.00 H ATOM 785 H GLN A 82 -24.540 27.155 -23.757 1.00 0.00 H ATOM 786 N ILE A 83 -27.145 26.169 -25.528 1.00 36.31 N ATOM 787 CA ILE A 83 -28.223 25.308 -25.989 1.00 37.10 C ATOM 788 C ILE A 83 -29.354 25.239 -24.988 1.00 43.11 C ATOM 789 O ILE A 83 -30.499 25.486 -25.377 1.00 43.95 O ATOM 790 CB ILE A 83 -27.707 23.894 -26.397 1.00 39.92 C ATOM 791 CG1 ILE A 83 -26.635 23.995 -27.512 1.00 39.78 C ATOM 792 CG2 ILE A 83 -28.874 22.970 -26.819 1.00 40.07 C ATOM 793 CD1 ILE A 83 -25.587 22.982 -27.447 1.00 43.06 C ATOM 794 H ILE A 83 -26.255 25.718 -25.235 1.00 0.00 H ATOM 795 N TYR A 84 -29.027 24.997 -23.684 1.00 38.91 N ATOM 796 CA TYR A 84 -30.019 24.759 -22.635 1.00 37.71 C ATOM 797 C TYR A 84 -30.240 25.850 -21.599 1.00 41.45 C ATOM 798 O TYR A 84 -31.126 25.672 -20.759 1.00 38.94 O ATOM 799 CB TYR A 84 -29.672 23.458 -21.915 1.00 37.84 C ATOM 800 CG TYR A 84 -29.626 22.263 -22.840 1.00 37.70 C ATOM 801 CD1 TYR A 84 -28.414 21.714 -23.241 1.00 39.79 C ATOM 802 CD2 TYR A 84 -30.793 21.684 -23.317 1.00 37.05 C ATOM 803 CE1 TYR A 84 -28.368 20.611 -24.099 1.00 41.60 C ATOM 804 CE2 TYR A 84 -30.760 20.578 -24.162 1.00 37.84 C ATOM 805 CZ TYR A 84 -29.548 20.053 -24.563 1.00 43.84 C ATOM 806 OH TYR A 84 -29.540 18.979 -25.422 1.00 42.82 O ATOM 807 HH TYR A 84 -28.604 18.719 -25.615 1.00 0.00 H ATOM 808 H TYR A 84 -28.020 24.981 -23.423 1.00 0.00 H ATOM 809 N SER A 85 -29.484 26.984 -21.666 1.00 41.01 N ATOM 810 CA SER A 85 -29.522 28.112 -20.701 1.00 40.11 C ATOM 811 C SER A 85 -29.154 27.634 -19.267 1.00 42.52 C ATOM 812 O SER A 85 -29.550 28.240 -18.269 1.00 42.74 O ATOM 813 CB SER A 85 -30.860 28.851 -20.739 1.00 43.02 C ATOM 814 OG SER A 85 -31.205 29.228 -22.061 1.00 53.85 O ATOM 815 HG SER A 85 -32.074 29.703 -22.051 1.00 0.00 H ATOM 816 H SER A 85 -28.822 27.066 -22.464 1.00 0.00 H ATOM 817 N PHE A 86 -28.383 26.540 -19.198 1.00 37.75 N ATOM 818 CA PHE A 86 -27.962 25.878 -17.969 1.00 36.36 C ATOM 819 C PHE A 86 -26.538 26.153 -17.583 1.00 40.96 C ATOM 820 O PHE A 86 -25.592 25.819 -18.305 1.00 41.29 O ATOM 821 CB PHE A 86 -28.219 24.358 -18.048 1.00 37.74 C ATOM 822 CG PHE A 86 -27.835 23.585 -16.798 1.00 37.64 C ATOM 823 CD1 PHE A 86 -28.678 23.553 -15.693 1.00 38.43 C ATOM 824 CD2 PHE A 86 -26.629 22.891 -16.731 1.00 38.90 C ATOM 825 CE1 PHE A 86 -28.325 22.847 -14.546 1.00 38.56 C ATOM 826 CE2 PHE A 86 -26.269 22.198 -15.573 1.00 40.65 C ATOM 827 CZ PHE A 86 -27.133 22.162 -14.499 1.00 38.33 C ATOM 828 H PHE A 86 -28.058 26.129 -20.096 1.00 0.00 H ATOM 829 N GLU A 87 -26.405 26.649 -16.359 1.00 37.94 N ATOM 830 CA GLU A 87 -25.178 27.010 -15.664 1.00 36.55 C ATOM 831 C GLU A 87 -25.207 26.322 -14.301 1.00 38.24 C ATOM 832 O GLU A 87 -26.265 26.261 -13.675 1.00 35.02 O ATOM 833 CB GLU A 87 -25.172 28.529 -15.468 1.00 37.60 C ATOM 834 CG GLU A 87 -23.924 29.065 -14.806 1.00 49.29 C ATOM 835 CD GLU A 87 -24.065 30.545 -14.564 1.00 73.05 C ATOM 836 OE1 GLU A 87 -24.273 31.288 -15.553 1.00 47.25 O ATOM 837 OE2 GLU A 87 -24.003 30.959 -13.384 1.00 76.79 O ATOM 838 H GLU A 87 -27.288 26.798 -15.830 1.00 0.00 H ATOM 839 N TYR A 88 -24.055 25.787 -13.847 1.00 37.24 N ATOM 840 CA TYR A 88 -23.998 25.102 -12.547 1.00 37.10 C ATOM 841 C TYR A 88 -22.770 25.542 -11.742 1.00 40.53 C ATOM 842 O TYR A 88 -22.226 24.775 -10.929 1.00 38.86 O ATOM 843 CB TYR A 88 -24.115 23.582 -12.707 1.00 38.56 C ATOM 844 CG TYR A 88 -22.971 22.924 -13.451 1.00 40.55 C ATOM 845 CD1 TYR A 88 -21.972 22.236 -12.769 1.00 41.61 C ATOM 846 CD2 TYR A 88 -22.916 22.942 -14.846 1.00 41.11 C ATOM 847 CE1 TYR A 88 -20.953 21.572 -13.453 1.00 40.21 C ATOM 848 CE2 TYR A 88 -21.900 22.293 -15.537 1.00 40.82 C ATOM 849 CZ TYR A 88 -20.914 21.620 -14.838 1.00 44.42 C ATOM 850 OH TYR A 88 -19.916 20.987 -15.534 1.00 42.27 O ATOM 851 HH TYR A 88 -19.424 21.650 -16.080 1.00 0.00 H ATOM 852 H TYR A 88 -23.194 25.860 -14.425 1.00 0.00 H ATOM 853 N GLU A 89 -22.348 26.810 -11.992 1.00 37.04 N ATOM 854 CA GLU A 89 -21.209 27.418 -11.306 1.00 36.91 C ATOM 855 C GLU A 89 -21.539 27.628 -9.823 1.00 39.27 C ATOM 856 O GLU A 89 -20.763 27.208 -8.964 1.00 37.04 O ATOM 857 CB GLU A 89 -20.800 28.745 -11.979 1.00 38.63 C ATOM 858 CG GLU A 89 -19.769 28.587 -13.092 1.00 48.47 C ATOM 859 CD GLU A 89 -18.437 27.970 -12.693 1.00 58.16 C ATOM 860 OE1 GLU A 89 -17.979 28.220 -11.555 1.00 33.12 O ATOM 861 OE2 GLU A 89 -17.868 27.210 -13.511 1.00 53.54 O ATOM 862 H GLU A 89 -22.858 27.372 -12.703 1.00 0.00 H ATOM 863 N ALA A 90 -22.701 28.245 -9.522 1.00 37.41 N ATOM 864 CA ALA A 90 -23.190 28.490 -8.164 1.00 37.69 C ATOM 865 C ALA A 90 -23.237 27.180 -7.373 1.00 40.05 C ATOM 866 O ALA A 90 -22.877 27.181 -6.202 1.00 40.97 O ATOM 867 CB ALA A 90 -24.584 29.110 -8.219 1.00 38.96 C ATOM 868 H ALA A 90 -23.293 28.570 -10.313 1.00 0.00 H ATOM 869 N MET A 91 -23.650 26.075 -8.046 1.00 36.73 N ATOM 870 CA MET A 91 -23.762 24.722 -7.486 1.00 36.54 C ATOM 871 C MET A 91 -22.387 24.248 -7.035 1.00 38.41 C ATOM 872 O MET A 91 -22.245 23.719 -5.928 1.00 37.85 O ATOM 873 CB MET A 91 -24.349 23.732 -8.525 1.00 38.93 C ATOM 874 CG MET A 91 -24.760 22.393 -7.917 1.00 42.85 C ATOM 875 SD MET A 91 -24.394 20.907 -8.903 1.00 47.31 S ATOM 876 CE MET A 91 -22.708 20.640 -8.459 1.00 43.67 C ATOM 877 H MET A 91 -23.910 26.198 -9.046 1.00 0.00 H ATOM 878 N LEU A 92 -21.396 24.418 -7.903 1.00 33.55 N ATOM 879 CA LEU A 92 -20.012 24.040 -7.678 1.00 33.78 C ATOM 880 C LEU A 92 -19.414 24.845 -6.520 1.00 41.30 C ATOM 881 O LEU A 92 -18.741 24.256 -5.659 1.00 41.40 O ATOM 882 CB LEU A 92 -19.202 24.218 -8.972 1.00 33.42 C ATOM 883 CG LEU A 92 -19.397 23.165 -10.088 1.00 36.59 C ATOM 884 CD1 LEU A 92 -18.415 23.405 -11.217 1.00 36.77 C ATOM 885 CD2 LEU A 92 -19.202 21.750 -9.576 1.00 35.44 C ATOM 886 H LEU A 92 -21.630 24.857 -8.816 1.00 0.00 H ATOM 887 N ARG A 93 -19.705 26.176 -6.481 1.00 37.79 N ATOM 888 CA ARG A 93 -19.235 27.057 -5.414 1.00 37.54 C ATOM 889 C ARG A 93 -19.831 26.619 -4.074 1.00 42.75 C ATOM 890 O ARG A 93 -19.073 26.313 -3.162 1.00 43.58 O ATOM 891 CB ARG A 93 -19.554 28.530 -5.725 1.00 36.08 C ATOM 892 CG ARG A 93 -18.996 29.513 -4.699 1.00 41.76 C ATOM 893 CD ARG A 93 -19.533 30.912 -4.916 1.00 49.96 C ATOM 894 NE ARG A 93 -19.757 31.628 -3.658 1.00 57.61 N ATOM 895 CZ ARG A 93 -18.860 32.401 -3.054 1.00 66.19 C ATOM 896 NH1 ARG A 93 -17.647 32.553 -3.571 1.00 54.29 N ATOM 897 NH2 ARG A 93 -19.168 33.030 -1.928 1.00 48.63 N ATOM 898 HE ARG A 93 -20.687 31.524 -3.204 1.00 0.00 H ATOM 899 HH12 ARG A 93 -16.950 33.159 -3.093 1.00 0.00 H ATOM 900 HH11 ARG A 93 -17.393 32.066 -4.454 1.00 0.00 H ATOM 901 HH22 ARG A 93 -18.462 33.634 -1.460 1.00 0.00 H ATOM 902 HH21 ARG A 93 -20.115 32.920 -1.513 1.00 0.00 H ATOM 903 H ARG A 93 -20.286 26.582 -7.242 1.00 0.00 H ATOM 904 N ARG A 94 -21.195 26.535 -3.972 1.00 40.09 N ATOM 905 CA ARG A 94 -21.888 26.113 -2.733 1.00 39.80 C ATOM 906 C ARG A 94 -21.351 24.788 -2.210 1.00 45.00 C ATOM 907 O ARG A 94 -21.172 24.643 -1.008 1.00 44.84 O ATOM 908 CB ARG A 94 -23.409 26.014 -2.926 1.00 37.18 C ATOM 909 CG ARG A 94 -24.150 27.338 -2.982 1.00 39.98 C ATOM 910 CD ARG A 94 -25.640 27.129 -3.159 1.00 47.29 C ATOM 911 NE ARG A 94 -25.958 26.465 -4.433 1.00 56.05 N ATOM 912 CZ ARG A 94 -26.645 27.026 -5.424 1.00 61.35 C ATOM 913 NH1 ARG A 94 -27.103 28.267 -5.306 1.00 41.90 N ATOM 914 NH2 ARG A 94 -26.890 26.347 -6.536 1.00 46.32 N ATOM 915 HE ARG A 94 -25.622 25.490 -4.568 1.00 0.00 H ATOM 916 HH12 ARG A 94 -27.640 28.700 -6.085 1.00 0.00 H ATOM 917 HH11 ARG A 94 -26.925 28.806 -4.435 1.00 0.00 H ATOM 918 HH22 ARG A 94 -27.428 26.790 -7.308 1.00 0.00 H ATOM 919 HH21 ARG A 94 -26.545 25.371 -6.636 1.00 0.00 H ATOM 920 H ARG A 94 -21.770 26.779 -4.803 1.00 0.00 H ATOM 921 N SER A 95 -21.019 23.860 -3.126 1.00 42.57 N ATOM 922 CA SER A 95 -20.497 22.529 -2.823 1.00 41.59 C ATOM 923 C SER A 95 -19.080 22.518 -2.265 1.00 44.87 C ATOM 924 O SER A 95 -18.844 21.837 -1.265 1.00 43.54 O ATOM 925 CB SER A 95 -20.605 21.618 -4.042 1.00 42.61 C ATOM 926 OG SER A 95 -21.968 21.475 -4.392 1.00 37.36 O ATOM 927 HG SER A 95 -22.348 22.364 -4.605 1.00 0.00 H ATOM 928 H SER A 95 -21.144 24.109 -4.128 1.00 0.00 H ATOM 929 N ALA A 96 -18.129 23.219 -2.938 1.00 42.19 N ATOM 930 CA ALA A 96 -16.714 23.340 -2.548 1.00 40.88 C ATOM 931 C ALA A 96 -16.563 24.118 -1.223 1.00 42.91 C ATOM 932 O ALA A 96 -15.663 23.827 -0.438 1.00 39.07 O ATOM 933 CB ALA A 96 -15.934 24.037 -3.652 1.00 41.71 C ATOM 934 H ALA A 96 -18.427 23.713 -3.804 1.00 0.00 H ATOM 935 N LEU A 97 -17.483 25.082 -0.964 1.00 42.47 N ATOM 936 CA LEU A 97 -17.505 25.873 0.271 1.00 43.50 C ATOM 937 C LEU A 97 -18.003 25.023 1.434 1.00 48.41 C ATOM 938 O LEU A 97 -17.520 25.160 2.564 1.00 48.68 O ATOM 939 CB LEU A 97 -18.443 27.079 0.128 1.00 43.92 C ATOM 940 CG LEU A 97 -17.973 28.288 -0.664 1.00 49.95 C ATOM 941 CD1 LEU A 97 -19.160 29.176 -1.007 1.00 50.71 C ATOM 942 CD2 LEU A 97 -16.952 29.093 0.118 1.00 51.45 C ATOM 943 H LEU A 97 -18.213 25.270 -1.681 1.00 0.00 H ATOM 944 N ALA A 98 -18.969 24.146 1.152 1.00 45.00 N ATOM 945 CA ALA A 98 -19.587 23.312 2.166 1.00 44.95 C ATOM 946 C ALA A 98 -18.819 22.052 2.488 1.00 48.67 C ATOM 947 O ALA A 98 -18.951 21.548 3.607 1.00 48.39 O ATOM 948 CB ALA A 98 -21.005 22.961 1.749 1.00 45.41 C ATOM 949 H ALA A 98 -19.291 24.057 0.167 1.00 0.00 H ATOM 950 N LEU A 99 -18.051 21.514 1.523 1.00 44.42 N ATOM 951 CA LEU A 99 -17.406 20.215 1.705 1.00 44.17 C ATOM 952 C LEU A 99 -15.882 20.165 1.561 1.00 47.46 C ATOM 953 O LEU A 99 -15.285 19.143 1.917 1.00 45.55 O ATOM 954 CB LEU A 99 -18.030 19.188 0.727 1.00 44.46 C ATOM 955 CG LEU A 99 -19.557 18.972 0.710 1.00 48.95 C ATOM 956 CD1 LEU A 99 -19.895 17.806 -0.172 1.00 49.11 C ATOM 957 CD2 LEU A 99 -20.153 18.712 2.136 1.00 50.48 C ATOM 958 H LEU A 99 -17.914 22.032 0.632 1.00 0.00 H ATOM 959 N SER A 100 -15.259 21.216 1.007 1.00 45.18 N ATOM 960 CA SER A 100 -13.813 21.219 0.810 1.00 45.40 C ATOM 961 C SER A 100 -13.107 22.181 1.784 1.00 52.81 C ATOM 962 O SER A 100 -13.482 23.355 1.865 1.00 51.83 O ATOM 963 CB SER A 100 -13.461 21.535 -0.637 1.00 48.05 C ATOM 964 OG SER A 100 -12.230 20.924 -0.982 1.00 59.94 O ATOM 965 HG SER A 100 -12.011 21.135 -1.924 1.00 0.00 H ATOM 966 H SER A 100 -15.816 22.043 0.713 1.00 0.00 H ATOM 967 N PRO A 101 -12.110 21.679 2.559 1.00 53.18 N ATOM 968 CA PRO A 101 -11.398 22.554 3.518 1.00 53.29 C ATOM 969 C PRO A 101 -10.600 23.647 2.828 1.00 56.71 C ATOM 970 O PRO A 101 -10.618 24.785 3.295 1.00 57.66 O ATOM 971 CB PRO A 101 -10.482 21.586 4.262 1.00 55.36 C ATOM 972 CG PRO A 101 -10.261 20.453 3.312 1.00 60.04 C ATOM 973 CD PRO A 101 -11.562 20.304 2.577 1.00 55.40 C ATOM 974 N ASP A 102 -9.954 23.304 1.686 1.00 52.18 N ATOM 975 CA ASP A 102 -9.170 24.205 0.832 1.00 51.14 C ATOM 976 C ASP A 102 -10.041 25.034 -0.119 1.00 52.20 C ATOM 977 O ASP A 102 -9.515 25.835 -0.893 1.00 50.49 O ATOM 978 CB ASP A 102 -8.066 23.436 0.064 1.00 53.39 C ATOM 979 CG ASP A 102 -8.490 22.335 -0.911 1.00 65.06 C ATOM 980 OD1 ASP A 102 -7.606 21.782 -1.600 1.00 66.95 O ATOM 981 OD2 ASP A 102 -9.699 22.013 -0.971 1.00 71.00 O ATOM 982 H ASP A 102 -10.020 22.310 1.387 1.00 0.00 H ATOM 983 N ARG A 103 -11.382 24.829 -0.058 1.00 48.27 N ATOM 984 CA ARG A 103 -12.403 25.492 -0.884 1.00 46.78 C ATOM 985 C ARG A 103 -12.222 25.197 -2.395 1.00 46.76 C ATOM 986 O ARG A 103 -12.707 25.956 -3.223 1.00 44.41 O ATOM 987 CB ARG A 103 -12.491 27.009 -0.582 1.00 49.01 C ATOM 988 CG ARG A 103 -13.005 27.359 0.829 1.00 59.07 C ATOM 989 CD ARG A 103 -12.541 28.735 1.334 1.00 62.34 C ATOM 990 NE ARG A 103 -12.965 29.834 0.460 1.00 66.51 N ATOM 991 CZ ARG A 103 -13.874 30.755 0.775 1.00 78.28 C ATOM 992 NH1 ARG A 103 -14.462 30.742 1.969 1.00 65.68 N ATOM 993 NH2 ARG A 103 -14.209 31.693 -0.104 1.00 54.56 N ATOM 994 HE ARG A 103 -12.521 29.899 -0.478 1.00 0.00 H ATOM 995 HH12 ARG A 103 -15.171 31.465 2.207 1.00 0.00 H ATOM 996 HH11 ARG A 103 -14.213 30.009 2.664 1.00 0.00 H ATOM 997 HH22 ARG A 103 -14.919 32.410 0.146 1.00 0.00 H ATOM 998 HH21 ARG A 103 -13.761 31.710 -1.042 1.00 0.00 H ATOM 999 H ARG A 103 -11.720 24.136 0.640 1.00 0.00 H ATOM 1000 N CYS A 104 -11.538 24.081 -2.733 1.00 44.60 N ATOM 1001 CA CYS A 104 -11.275 23.647 -4.099 1.00 45.70 C ATOM 1002 C CYS A 104 -11.864 22.282 -4.396 1.00 50.91 C ATOM 1003 O CYS A 104 -11.821 21.382 -3.558 1.00 52.02 O ATOM 1004 CB CYS A 104 -9.779 23.643 -4.395 1.00 46.60 C ATOM 1005 SG CYS A 104 -8.973 25.254 -4.220 1.00 50.45 S ATOM 1006 H CYS A 104 -11.172 23.488 -1.961 1.00 0.00 H ATOM 1007 N LEU A 105 -12.300 22.091 -5.637 1.00 45.65 N ATOM 1008 CA LEU A 105 -12.766 20.788 -6.101 1.00 43.79 C ATOM 1009 C LEU A 105 -12.274 20.533 -7.514 1.00 45.98 C ATOM 1010 O LEU A 105 -11.789 21.452 -8.190 1.00 44.15 O ATOM 1011 CB LEU A 105 -14.306 20.574 -5.951 1.00 42.84 C ATOM 1012 CG LEU A 105 -15.310 21.557 -6.596 1.00 47.25 C ATOM 1013 CD1 LEU A 105 -15.334 21.430 -8.139 1.00 47.77 C ATOM 1014 CD2 LEU A 105 -16.727 21.280 -6.092 1.00 48.07 C ATOM 1015 H LEU A 105 -12.309 22.894 -6.297 1.00 0.00 H ATOM 1016 N SER A 106 -12.381 19.276 -7.957 1.00 42.22 N ATOM 1017 CA SER A 106 -12.049 18.922 -9.335 1.00 40.88 C ATOM 1018 C SER A 106 -13.376 18.675 -10.033 1.00 41.55 C ATOM 1019 O SER A 106 -14.246 18.003 -9.490 1.00 39.39 O ATOM 1020 CB SER A 106 -11.156 17.692 -9.396 1.00 44.09 C ATOM 1021 OG SER A 106 -10.253 17.672 -8.305 1.00 57.48 O ATOM 1022 HG SER A 106 -9.683 16.865 -8.365 1.00 0.00 H ATOM 1023 H SER A 106 -12.708 18.534 -7.306 1.00 0.00 H ATOM 1024 N LEU A 107 -13.568 19.310 -11.173 1.00 37.98 N ATOM 1025 CA LEU A 107 -14.767 19.162 -11.970 1.00 38.14 C ATOM 1026 C LEU A 107 -14.404 18.238 -13.119 1.00 38.69 C ATOM 1027 O LEU A 107 -13.551 18.588 -13.937 1.00 37.51 O ATOM 1028 CB LEU A 107 -15.257 20.545 -12.461 1.00 38.90 C ATOM 1029 CG LEU A 107 -16.672 20.692 -13.078 1.00 44.74 C ATOM 1030 CD1 LEU A 107 -16.624 20.838 -14.530 1.00 45.21 C ATOM 1031 CD2 LEU A 107 -17.679 19.626 -12.614 1.00 47.16 C ATOM 1032 H LEU A 107 -12.822 19.948 -11.516 1.00 0.00 H ATOM 1033 N GLU A 108 -14.989 17.021 -13.139 1.00 33.76 N ATOM 1034 CA GLU A 108 -14.728 16.073 -14.214 1.00 33.09 C ATOM 1035 C GLU A 108 -15.979 15.844 -15.072 1.00 36.99 C ATOM 1036 O GLU A 108 -17.043 15.552 -14.544 1.00 34.73 O ATOM 1037 CB GLU A 108 -14.101 14.777 -13.695 1.00 34.64 C ATOM 1038 CG GLU A 108 -13.584 13.891 -14.823 1.00 42.64 C ATOM 1039 CD GLU A 108 -12.591 12.836 -14.388 1.00 59.67 C ATOM 1040 OE1 GLU A 108 -11.925 13.046 -13.350 1.00 53.79 O ATOM 1041 OE2 GLU A 108 -12.477 11.801 -15.083 1.00 63.91 O ATOM 1042 H GLU A 108 -15.639 16.755 -12.372 1.00 0.00 H ATOM 1043 N GLN A 109 -15.855 16.063 -16.391 1.00 35.45 N ATOM 1044 CA GLN A 109 -16.967 15.959 -17.337 1.00 34.51 C ATOM 1045 C GLN A 109 -16.567 15.306 -18.642 1.00 36.79 C ATOM 1046 O GLN A 109 -15.408 15.366 -19.052 1.00 34.04 O ATOM 1047 CB GLN A 109 -17.632 17.330 -17.594 1.00 35.23 C ATOM 1048 CG GLN A 109 -16.858 18.208 -18.588 1.00 29.79 C ATOM 1049 CD GLN A 109 -17.228 19.635 -18.455 1.00 41.29 C ATOM 1050 OE1 GLN A 109 -18.201 20.096 -19.045 1.00 35.83 O ATOM 1051 NE2 GLN A 109 -16.447 20.362 -17.674 1.00 34.34 N ATOM 1052 HE22 GLN A 109 -15.634 19.922 -17.197 1.00 0.00 H ATOM 1053 HE21 GLN A 109 -16.645 21.374 -17.537 1.00 0.00 H ATOM 1054 H GLN A 109 -14.918 16.321 -16.761 1.00 0.00 H ATOM 1055 N SER A 110 -17.570 14.724 -19.326 1.00 34.76 N ATOM 1056 CA SER A 110 -17.403 14.065 -20.620 1.00 33.82 C ATOM 1057 C SER A 110 -17.193 15.083 -21.770 1.00 34.44 C ATOM 1058 O SER A 110 -17.779 16.173 -21.763 1.00 28.87 O ATOM 1059 CB SER A 110 -18.644 13.230 -20.915 1.00 35.81 C ATOM 1060 OG SER A 110 -18.571 12.621 -22.186 1.00 39.92 O ATOM 1061 HG SER A 110 -19.391 12.089 -22.343 1.00 0.00 H ATOM 1062 H SER A 110 -18.522 14.745 -18.908 1.00 0.00 H ATOM 1063 N THR A 111 -16.443 14.647 -22.815 1.00 34.89 N ATOM 1064 CA THR A 111 -16.202 15.409 -24.060 1.00 36.23 C ATOM 1065 C THR A 111 -16.797 14.616 -25.259 1.00 39.50 C ATOM 1066 O THR A 111 -16.594 14.971 -26.425 1.00 35.96 O ATOM 1067 CB THR A 111 -14.681 15.632 -24.300 1.00 43.67 C ATOM 1068 OG1 THR A 111 -14.022 14.362 -24.442 1.00 45.74 O ATOM 1069 CG2 THR A 111 -14.035 16.425 -23.208 1.00 40.99 C ATOM 1070 HG1 THR A 111 -13.055 14.509 -24.594 1.00 0.00 H ATOM 1071 H THR A 111 -16.005 13.707 -22.734 1.00 0.00 H ATOM 1072 N GLN A 112 -17.494 13.511 -24.937 1.00 38.26 N ATOM 1073 CA GLN A 112 -18.021 12.544 -25.889 1.00 36.75 C ATOM 1074 C GLN A 112 -19.495 12.269 -25.708 1.00 38.97 C ATOM 1075 O GLN A 112 -20.001 12.194 -24.581 1.00 36.70 O ATOM 1076 CB GLN A 112 -17.248 11.216 -25.756 1.00 38.29 C ATOM 1077 CG GLN A 112 -15.737 11.369 -25.770 1.00 43.41 C ATOM 1078 CD GLN A 112 -15.030 10.172 -26.302 1.00 55.26 C ATOM 1079 OE1 GLN A 112 -15.018 9.093 -25.698 1.00 52.82 O ATOM 1080 NE2 GLN A 112 -14.371 10.361 -27.428 1.00 52.21 N ATOM 1081 HE22 GLN A 112 -14.408 11.285 -27.904 1.00 0.00 H ATOM 1082 HE21 GLN A 112 -13.814 9.586 -27.841 1.00 0.00 H ATOM 1083 H GLN A 112 -17.670 13.334 -23.928 1.00 0.00 H ATOM 1084 N THR A 113 -20.198 12.122 -26.822 1.00 36.34 N ATOM 1085 CA THR A 113 -21.606 11.760 -26.791 1.00 35.43 C ATOM 1086 C THR A 113 -21.730 10.238 -26.757 1.00 39.14 C ATOM 1087 O THR A 113 -20.859 9.543 -27.264 1.00 37.96 O ATOM 1088 CB THR A 113 -22.398 12.469 -27.908 1.00 46.27 C ATOM 1089 OG1 THR A 113 -23.780 12.156 -27.785 1.00 41.55 O ATOM 1090 CG2 THR A 113 -21.925 12.108 -29.301 1.00 49.38 C ATOM 1091 HG1 THR A 113 -24.286 12.612 -28.503 1.00 0.00 H ATOM 1092 H THR A 113 -19.732 12.269 -27.740 1.00 0.00 H ATOM 1093 N VAL A 114 -22.745 9.717 -26.052 1.00 36.96 N ATOM 1094 CA VAL A 114 -23.099 8.298 -26.049 1.00 35.54 C ATOM 1095 C VAL A 114 -24.478 8.227 -26.712 1.00 35.77 C ATOM 1096 O VAL A 114 -24.955 7.164 -27.043 1.00 35.04 O ATOM 1097 CB VAL A 114 -23.104 7.572 -24.672 1.00 38.72 C ATOM 1098 CG1 VAL A 114 -21.701 7.258 -24.185 1.00 37.93 C ATOM 1099 CG2 VAL A 114 -23.936 8.302 -23.616 1.00 39.22 C ATOM 1100 H VAL A 114 -23.316 10.363 -25.471 1.00 0.00 H ATOM 1101 N GLN A 115 -25.106 9.379 -26.878 1.00 32.12 N ATOM 1102 CA GLN A 115 -26.449 9.514 -27.359 1.00 31.47 C ATOM 1103 C GLN A 115 -26.578 10.102 -28.759 1.00 38.66 C ATOM 1104 O GLN A 115 -25.925 11.096 -29.066 1.00 37.93 O ATOM 1105 CB GLN A 115 -27.223 10.361 -26.351 1.00 31.59 C ATOM 1106 CG GLN A 115 -28.732 10.276 -26.481 1.00 35.51 C ATOM 1107 CD GLN A 115 -29.427 11.135 -25.463 1.00 51.78 C ATOM 1108 OE1 GLN A 115 -30.458 11.767 -25.722 1.00 48.14 O ATOM 1109 NE2 GLN A 115 -28.883 11.168 -24.276 1.00 35.69 N ATOM 1110 HE22 GLN A 115 -28.016 10.626 -24.086 1.00 0.00 H ATOM 1111 HE21 GLN A 115 -29.317 11.736 -23.521 1.00 0.00 H ATOM 1112 H GLN A 115 -24.588 10.249 -26.643 1.00 0.00 H ATOM 1113 N GLY A 116 -27.509 9.533 -29.547 1.00 37.52 N ATOM 1114 CA GLY A 116 -27.876 10.004 -30.882 1.00 35.37 C ATOM 1115 C GLY A 116 -28.569 11.341 -30.777 1.00 39.20 C ATOM 1116 O GLY A 116 -29.240 11.601 -29.773 1.00 40.53 O ATOM 1117 H GLY A 116 -28.004 8.696 -29.179 1.00 0.00 H ATOM 1118 N PRO A 117 -28.430 12.230 -31.790 1.00 35.20 N ATOM 1119 CA PRO A 117 -28.980 13.590 -31.656 1.00 35.51 C ATOM 1120 C PRO A 117 -30.486 13.718 -31.509 1.00 41.83 C ATOM 1121 O PRO A 117 -30.974 14.768 -31.072 1.00 41.08 O ATOM 1122 CB PRO A 117 -28.501 14.294 -32.945 1.00 37.57 C ATOM 1123 CG PRO A 117 -28.201 13.170 -33.908 1.00 40.08 C ATOM 1124 CD PRO A 117 -27.676 12.072 -33.053 1.00 35.23 C ATOM 1125 N ASP A 118 -31.223 12.685 -31.930 1.00 41.83 N ATOM 1126 CA ASP A 118 -32.686 12.726 -31.899 1.00 42.36 C ATOM 1127 C ASP A 118 -33.267 11.880 -30.773 1.00 45.80 C ATOM 1128 O ASP A 118 -34.475 11.883 -30.562 1.00 46.76 O ATOM 1129 CB ASP A 118 -33.253 12.333 -33.277 1.00 44.11 C ATOM 1130 CG ASP A 118 -32.714 13.200 -34.391 1.00 49.05 C ATOM 1131 OD1 ASP A 118 -33.049 14.421 -34.414 1.00 47.58 O ATOM 1132 OD2 ASP A 118 -31.905 12.685 -35.200 1.00 55.53 O ATOM 1133 H ASP A 118 -30.746 11.833 -32.288 1.00 0.00 H ATOM 1134 N SER A 119 -32.395 11.169 -30.049 1.00 40.76 N ATOM 1135 CA SER A 119 -32.777 10.321 -28.943 1.00 40.02 C ATOM 1136 C SER A 119 -33.278 11.097 -27.718 1.00 43.62 C ATOM 1137 O SER A 119 -32.896 12.257 -27.487 1.00 42.66 O ATOM 1138 CB SER A 119 -31.650 9.364 -28.591 1.00 42.69 C ATOM 1139 OG SER A 119 -31.883 8.763 -27.330 1.00 47.88 O ATOM 1140 HG SER A 119 -31.140 8.144 -27.118 1.00 0.00 H ATOM 1141 H SER A 119 -31.387 11.230 -30.296 1.00 0.00 H ATOM 1142 N ALA A 120 -34.168 10.435 -26.948 1.00 39.53 N ATOM 1143 CA ALA A 120 -34.765 10.981 -25.734 1.00 38.70 C ATOM 1144 C ALA A 120 -34.469 10.064 -24.536 1.00 40.97 C ATOM 1145 O ALA A 120 -35.183 10.087 -23.537 1.00 40.22 O ATOM 1146 CB ALA A 120 -36.261 11.205 -25.931 1.00 39.28 C ATOM 1147 H ALA A 120 -34.445 9.476 -27.239 1.00 0.00 H ATOM 1148 N ALA A 121 -33.358 9.298 -24.641 1.00 37.03 N ATOM 1149 CA ALA A 121 -32.860 8.392 -23.619 1.00 35.42 C ATOM 1150 C ALA A 121 -31.888 9.059 -22.638 1.00 35.70 C ATOM 1151 O ALA A 121 -31.323 8.332 -21.839 1.00 33.98 O ATOM 1152 CB ALA A 121 -32.218 7.161 -24.267 1.00 35.26 C ATOM 1153 H ALA A 121 -32.816 9.363 -25.526 1.00 0.00 H ATOM 1154 N CYS A 122 -31.752 10.422 -22.630 1.00 34.36 N ATOM 1155 CA CYS A 122 -30.815 11.159 -21.736 1.00 35.80 C ATOM 1156 C CYS A 122 -30.927 10.774 -20.251 1.00 39.50 C ATOM 1157 O CYS A 122 -29.907 10.473 -19.637 1.00 41.53 O ATOM 1158 CB CYS A 122 -30.879 12.673 -21.924 1.00 36.54 C ATOM 1159 SG CYS A 122 -32.486 13.428 -21.564 1.00 41.50 S ATOM 1160 H CYS A 122 -32.338 10.976 -23.287 1.00 0.00 H ATOM 1161 N GLY A 123 -32.145 10.747 -19.721 1.00 34.38 N ATOM 1162 CA GLY A 123 -32.438 10.330 -18.351 1.00 33.69 C ATOM 1163 C GLY A 123 -31.970 8.916 -18.068 1.00 36.00 C ATOM 1164 O GLY A 123 -31.388 8.653 -17.023 1.00 37.38 O ATOM 1165 H GLY A 123 -32.942 11.042 -20.320 1.00 0.00 H ATOM 1166 N LEU A 124 -32.150 8.019 -19.024 1.00 32.16 N ATOM 1167 CA LEU A 124 -31.742 6.621 -18.914 1.00 31.51 C ATOM 1168 C LEU A 124 -30.208 6.403 -18.914 1.00 35.57 C ATOM 1169 O LEU A 124 -29.718 5.552 -18.167 1.00 35.03 O ATOM 1170 CB LEU A 124 -32.411 5.779 -19.999 1.00 31.14 C ATOM 1171 CG LEU A 124 -33.924 5.630 -19.942 1.00 35.59 C ATOM 1172 CD1 LEU A 124 -34.413 4.885 -21.146 1.00 34.75 C ATOM 1173 CD2 LEU A 124 -34.344 4.878 -18.690 1.00 36.96 C ATOM 1174 H LEU A 124 -32.609 8.327 -19.905 1.00 0.00 H ATOM 1175 N PHE A 125 -29.475 7.127 -19.798 1.00 30.65 N ATOM 1176 CA PHE A 125 -28.002 7.151 -19.836 1.00 29.39 C ATOM 1177 C PHE A 125 -27.475 7.731 -18.512 1.00 31.45 C ATOM 1178 O PHE A 125 -26.454 7.271 -18.027 1.00 32.65 O ATOM 1179 CB PHE A 125 -27.476 8.002 -21.024 1.00 29.63 C ATOM 1180 CG PHE A 125 -27.474 7.310 -22.358 1.00 29.81 C ATOM 1181 CD1 PHE A 125 -28.222 7.809 -23.418 1.00 31.59 C ATOM 1182 CD2 PHE A 125 -26.725 6.148 -22.561 1.00 30.11 C ATOM 1183 CE1 PHE A 125 -28.194 7.178 -24.671 1.00 31.53 C ATOM 1184 CE2 PHE A 125 -26.698 5.527 -23.810 1.00 31.91 C ATOM 1185 CZ PHE A 125 -27.435 6.041 -24.851 1.00 28.73 C ATOM 1186 H PHE A 125 -29.988 7.704 -20.495 1.00 0.00 H ATOM 1187 N CYS A 126 -28.172 8.720 -17.934 1.00 29.81 N ATOM 1188 CA CYS A 126 -27.821 9.276 -16.617 1.00 30.32 C ATOM 1189 C CYS A 126 -27.923 8.201 -15.550 1.00 37.40 C ATOM 1190 O CYS A 126 -27.007 8.073 -14.732 1.00 38.47 O ATOM 1191 CB CYS A 126 -28.652 10.506 -16.273 1.00 30.49 C ATOM 1192 SG CYS A 126 -28.234 11.979 -17.249 1.00 34.32 S ATOM 1193 H CYS A 126 -28.994 9.110 -18.437 1.00 0.00 H ATOM 1194 N CYS A 127 -28.971 7.339 -15.623 1.00 35.07 N ATOM 1195 CA CYS A 127 -29.113 6.212 -14.693 1.00 33.53 C ATOM 1196 C CYS A 127 -27.940 5.271 -14.791 1.00 34.58 C ATOM 1197 O CYS A 127 -27.403 4.854 -13.762 1.00 31.71 O ATOM 1198 CB CYS A 127 -30.424 5.466 -14.927 1.00 33.68 C ATOM 1199 SG CYS A 127 -31.893 6.417 -14.512 1.00 36.88 S ATOM 1200 H CYS A 127 -29.693 7.482 -16.358 1.00 0.00 H ATOM 1201 N MET A 128 -27.526 4.940 -16.034 1.00 31.65 N ATOM 1202 CA MET A 128 -26.408 4.019 -16.297 1.00 30.50 C ATOM 1203 C MET A 128 -25.101 4.566 -15.742 1.00 36.14 C ATOM 1204 O MET A 128 -24.336 3.827 -15.105 1.00 35.65 O ATOM 1205 CB MET A 128 -26.283 3.751 -17.803 1.00 32.04 C ATOM 1206 CG MET A 128 -25.622 2.447 -18.107 1.00 35.45 C ATOM 1207 SD MET A 128 -25.641 2.038 -19.868 1.00 39.19 S ATOM 1208 CE MET A 128 -24.363 0.790 -19.897 1.00 35.59 C ATOM 1209 H MET A 128 -28.023 5.357 -16.847 1.00 0.00 H ATOM 1210 N PHE A 129 -24.857 5.864 -15.984 1.00 33.24 N ATOM 1211 CA PHE A 129 -23.682 6.541 -15.454 1.00 32.98 C ATOM 1212 C PHE A 129 -23.710 6.475 -13.926 1.00 35.27 C ATOM 1213 O PHE A 129 -22.678 6.157 -13.355 1.00 34.02 O ATOM 1214 CB PHE A 129 -23.588 8.017 -15.921 1.00 34.11 C ATOM 1215 CG PHE A 129 -22.512 8.807 -15.202 1.00 35.47 C ATOM 1216 CD1 PHE A 129 -21.177 8.716 -15.596 1.00 37.75 C ATOM 1217 CD2 PHE A 129 -22.824 9.589 -14.084 1.00 36.20 C ATOM 1218 CE1 PHE A 129 -20.176 9.398 -14.899 1.00 38.13 C ATOM 1219 CE2 PHE A 129 -21.822 10.271 -13.389 1.00 39.32 C ATOM 1220 CZ PHE A 129 -20.503 10.158 -13.793 1.00 38.02 C ATOM 1221 H PHE A 129 -25.528 6.402 -16.568 1.00 0.00 H ATOM 1222 N LEU A 130 -24.858 6.810 -13.260 1.00 31.25 N ATOM 1223 CA LEU A 130 -24.890 6.779 -11.785 1.00 30.26 C ATOM 1224 C LEU A 130 -24.657 5.392 -11.236 1.00 34.43 C ATOM 1225 O LEU A 130 -24.061 5.288 -10.160 1.00 34.33 O ATOM 1226 CB LEU A 130 -26.133 7.430 -11.167 1.00 30.27 C ATOM 1227 CG LEU A 130 -26.270 8.940 -11.426 1.00 34.96 C ATOM 1228 CD1 LEU A 130 -27.508 9.500 -10.766 1.00 34.51 C ATOM 1229 CD2 LEU A 130 -25.006 9.718 -10.992 1.00 36.33 C ATOM 1230 H LEU A 130 -25.707 7.086 -13.793 1.00 0.00 H ATOM 1231 N HIS A 131 -25.001 4.323 -12.020 1.00 32.02 N ATOM 1232 CA HIS A 131 -24.701 2.957 -11.626 1.00 32.72 C ATOM 1233 C HIS A 131 -23.180 2.816 -11.614 1.00 37.71 C ATOM 1234 O HIS A 131 -22.624 2.265 -10.664 1.00 35.90 O ATOM 1235 CB HIS A 131 -25.334 1.896 -12.561 1.00 33.71 C ATOM 1236 CG HIS A 131 -24.884 0.507 -12.220 1.00 37.04 C ATOM 1237 ND1 HIS A 131 -23.691 -0.003 -12.700 1.00 39.23 N ATOM 1238 CD2 HIS A 131 -25.431 -0.400 -11.376 1.00 39.19 C ATOM 1239 CE1 HIS A 131 -23.557 -1.202 -12.146 1.00 38.26 C ATOM 1240 NE2 HIS A 131 -24.579 -1.483 -11.344 1.00 38.78 N ATOM 1241 H HIS A 131 -25.490 4.494 -12.922 1.00 0.00 H ATOM 1242 N ALA A 132 -22.508 3.291 -12.684 1.00 36.19 N ATOM 1243 CA ALA A 132 -21.056 3.223 -12.804 1.00 36.69 C ATOM 1244 C ALA A 132 -20.387 4.084 -11.700 1.00 41.13 C ATOM 1245 O ALA A 132 -19.368 3.683 -11.127 1.00 40.78 O ATOM 1246 CB ALA A 132 -20.639 3.706 -14.180 1.00 37.79 C ATOM 1247 H ALA A 132 -23.050 3.725 -13.458 1.00 0.00 H ATOM 1248 N PHE A 133 -20.989 5.243 -11.387 1.00 36.83 N ATOM 1249 CA PHE A 133 -20.469 6.130 -10.365 1.00 37.78 C ATOM 1250 C PHE A 133 -20.561 5.537 -8.953 1.00 40.07 C ATOM 1251 O PHE A 133 -19.588 5.642 -8.217 1.00 39.38 O ATOM 1252 CB PHE A 133 -21.086 7.546 -10.441 1.00 40.45 C ATOM 1253 CG PHE A 133 -20.739 8.400 -9.242 1.00 43.30 C ATOM 1254 CD1 PHE A 133 -19.439 8.856 -9.045 1.00 48.02 C ATOM 1255 CD2 PHE A 133 -21.685 8.653 -8.249 1.00 46.90 C ATOM 1256 CE1 PHE A 133 -19.101 9.578 -7.892 1.00 48.72 C ATOM 1257 CE2 PHE A 133 -21.342 9.362 -7.096 1.00 49.64 C ATOM 1258 CZ PHE A 133 -20.057 9.833 -6.936 1.00 48.06 C ATOM 1259 H PHE A 133 -21.856 5.513 -11.894 1.00 0.00 H ATOM 1260 N VAL A 134 -21.675 4.881 -8.583 1.00 36.51 N ATOM 1261 CA VAL A 134 -21.801 4.323 -7.228 1.00 35.30 C ATOM 1262 C VAL A 134 -20.969 3.065 -7.067 1.00 41.88 C ATOM 1263 O VAL A 134 -20.624 2.716 -5.938 1.00 40.87 O ATOM 1264 CB VAL A 134 -23.254 4.133 -6.705 1.00 38.79 C ATOM 1265 CG1 VAL A 134 -24.024 5.459 -6.703 1.00 37.36 C ATOM 1266 CG2 VAL A 134 -24.015 3.063 -7.495 1.00 39.00 C ATOM 1267 H VAL A 134 -22.455 4.767 -9.261 1.00 0.00 H ATOM 1268 N HIS A 135 -20.625 2.385 -8.170 1.00 40.42 N ATOM 1269 CA HIS A 135 -19.832 1.169 -8.038 1.00 41.12 C ATOM 1270 C HIS A 135 -18.346 1.427 -8.238 1.00 44.20 C ATOM 1271 O HIS A 135 -17.540 0.668 -7.708 1.00 43.24 O ATOM 1272 CB HIS A 135 -20.368 0.033 -8.941 1.00 42.62 C ATOM 1273 CG HIS A 135 -21.724 -0.465 -8.530 1.00 46.58 C ATOM 1274 ND1 HIS A 135 -22.876 0.246 -8.827 1.00 48.47 N ATOM 1275 CD2 HIS A 135 -22.067 -1.576 -7.831 1.00 48.99 C ATOM 1276 CE1 HIS A 135 -23.876 -0.441 -8.292 1.00 48.29 C ATOM 1277 NE2 HIS A 135 -23.439 -1.551 -7.691 1.00 48.90 N ATOM 1278 H HIS A 135 -20.920 2.721 -9.109 1.00 0.00 H ATOM 1279 N TRP A 136 -17.967 2.493 -8.992 1.00 42.06 N ATOM 1280 CA TRP A 136 -16.558 2.840 -9.249 1.00 41.44 C ATOM 1281 C TRP A 136 -16.407 4.355 -9.205 1.00 45.10 C ATOM 1282 O TRP A 136 -16.189 4.987 -10.237 1.00 44.24 O ATOM 1283 CB TRP A 136 -16.093 2.242 -10.583 1.00 40.53 C ATOM 1284 CG TRP A 136 -16.365 0.773 -10.677 1.00 41.68 C ATOM 1285 CD1 TRP A 136 -15.635 -0.233 -10.108 1.00 44.37 C ATOM 1286 CD2 TRP A 136 -17.536 0.157 -11.229 1.00 41.15 C ATOM 1287 NE1 TRP A 136 -16.254 -1.442 -10.323 1.00 43.19 N ATOM 1288 CE2 TRP A 136 -17.414 -1.235 -11.022 1.00 44.58 C ATOM 1289 CE3 TRP A 136 -18.645 0.641 -11.948 1.00 41.58 C ATOM 1290 CZ2 TRP A 136 -18.381 -2.145 -11.466 1.00 43.78 C ATOM 1291 CZ3 TRP A 136 -19.582 -0.266 -12.420 1.00 42.41 C ATOM 1292 CH2 TRP A 136 -19.454 -1.637 -12.168 1.00 43.08 C ATOM 1293 HE1 TRP A 136 -15.898 -2.366 -10.006 1.00 0.00 H ATOM 1294 H TRP A 136 -18.708 3.093 -9.408 1.00 0.00 H ATOM 1295 N PRO A 137 -16.555 4.974 -8.008 1.00 42.58 N ATOM 1296 CA PRO A 137 -16.561 6.447 -7.942 1.00 41.53 C ATOM 1297 C PRO A 137 -15.226 7.133 -8.243 1.00 45.64 C ATOM 1298 O PRO A 137 -15.210 8.339 -8.495 1.00 44.93 O ATOM 1299 CB PRO A 137 -17.076 6.734 -6.531 1.00 42.44 C ATOM 1300 CG PRO A 137 -16.739 5.558 -5.761 1.00 47.44 C ATOM 1301 CD PRO A 137 -16.835 4.382 -6.678 1.00 43.82 C ATOM 1302 N ASP A 138 -14.129 6.367 -8.271 1.00 42.64 N ATOM 1303 CA ASP A 138 -12.781 6.877 -8.546 1.00 42.49 C ATOM 1304 C ASP A 138 -12.510 7.015 -10.041 1.00 47.94 C ATOM 1305 O ASP A 138 -11.644 7.786 -10.428 1.00 48.61 O ATOM 1306 CB ASP A 138 -11.725 6.017 -7.814 1.00 43.78 C ATOM 1307 CG ASP A 138 -11.922 5.997 -6.295 1.00 57.19 C ATOM 1308 OD1 ASP A 138 -12.309 7.047 -5.725 1.00 56.93 O ATOM 1309 OD2 ASP A 138 -11.690 4.935 -5.677 1.00 67.63 O ATOM 1310 H ASP A 138 -14.239 5.349 -8.087 1.00 0.00 H ATOM 1311 N ARG A 139 -13.288 6.300 -10.881 1.00 46.17 N ATOM 1312 CA ARG A 139 -13.230 6.321 -12.351 1.00 45.77 C ATOM 1313 C ARG A 139 -14.590 5.876 -12.951 1.00 46.61 C ATOM 1314 O ARG A 139 -14.733 4.741 -13.417 1.00 43.79 O ATOM 1315 CB ARG A 139 -12.028 5.529 -12.919 1.00 48.71 C ATOM 1316 CG ARG A 139 -11.688 4.230 -12.191 1.00 67.85 C ATOM 1317 CD ARG A 139 -11.107 3.201 -13.139 1.00 89.06 C ATOM 1318 NE ARG A 139 -10.872 1.906 -12.491 1.00106.47 N ATOM 1319 CZ ARG A 139 -11.806 0.975 -12.289 1.00125.72 C ATOM 1320 NH1 ARG A 139 -13.064 1.196 -12.652 1.00112.64 N ATOM 1321 NH2 ARG A 139 -11.489 -0.176 -11.710 1.00115.97 N ATOM 1322 HE ARG A 139 -9.906 1.698 -12.165 1.00 0.00 H ATOM 1323 HH12 ARG A 139 -13.787 0.466 -12.492 1.00 0.00 H ATOM 1324 HH11 ARG A 139 -13.326 2.099 -13.097 1.00 0.00 H ATOM 1325 HH22 ARG A 139 -12.220 -0.899 -11.555 1.00 0.00 H ATOM 1326 HH21 ARG A 139 -10.509 -0.355 -11.412 1.00 0.00 H ATOM 1327 H ARG A 139 -13.996 5.674 -10.447 1.00 0.00 H ATOM 1328 N PRO A 140 -15.617 6.765 -12.902 1.00 42.47 N ATOM 1329 CA PRO A 140 -16.944 6.379 -13.408 1.00 41.66 C ATOM 1330 C PRO A 140 -17.177 6.574 -14.897 1.00 44.71 C ATOM 1331 O PRO A 140 -18.067 5.925 -15.436 1.00 45.74 O ATOM 1332 CB PRO A 140 -17.899 7.280 -12.623 1.00 43.09 C ATOM 1333 CG PRO A 140 -17.051 8.358 -12.000 1.00 47.19 C ATOM 1334 CD PRO A 140 -15.633 8.139 -12.366 1.00 42.64 C ATOM 1335 N MET A 141 -16.441 7.510 -15.531 1.00 38.50 N ATOM 1336 CA MET A 141 -16.585 7.918 -16.925 1.00 37.60 C ATOM 1337 C MET A 141 -16.270 6.833 -17.941 1.00 41.03 C ATOM 1338 O MET A 141 -16.956 6.754 -18.959 1.00 40.44 O ATOM 1339 CB MET A 141 -15.769 9.175 -17.194 1.00 39.65 C ATOM 1340 CG MET A 141 -16.314 10.399 -16.446 1.00 42.62 C ATOM 1341 SD MET A 141 -17.685 11.197 -17.309 1.00 45.43 S ATOM 1342 CE MET A 141 -17.975 12.610 -16.211 1.00 41.20 C ATOM 1343 H MET A 141 -15.702 7.985 -14.975 1.00 0.00 H ATOM 1344 N ASP A 142 -15.258 5.998 -17.662 1.00 39.49 N ATOM 1345 CA ASP A 142 -14.810 4.903 -18.515 1.00 40.86 C ATOM 1346 C ASP A 142 -13.941 3.967 -17.668 1.00 47.43 C ATOM 1347 O ASP A 142 -13.712 4.246 -16.495 1.00 48.49 O ATOM 1348 CB ASP A 142 -14.011 5.458 -19.730 1.00 43.45 C ATOM 1349 CG ASP A 142 -13.955 4.556 -20.960 1.00 51.57 C ATOM 1350 OD1 ASP A 142 -14.387 3.387 -20.866 1.00 54.68 O ATOM 1351 OD2 ASP A 142 -13.553 5.040 -22.028 1.00 54.22 O ATOM 1352 H ASP A 142 -14.752 6.143 -16.765 1.00 0.00 H ATOM 1353 N GLY A 143 -13.480 2.867 -18.262 1.00 46.14 N ATOM 1354 CA GLY A 143 -12.638 1.873 -17.602 1.00 46.69 C ATOM 1355 C GLY A 143 -13.283 1.179 -16.415 1.00 52.11 C ATOM 1356 O GLY A 143 -12.607 0.924 -15.412 1.00 52.95 O ATOM 1357 H GLY A 143 -13.736 2.706 -19.257 1.00 0.00 H ATOM 1358 N ASN A 144 -14.613 0.918 -16.507 1.00 46.80 N ATOM 1359 CA ASN A 144 -15.409 0.204 -15.509 1.00 45.76 C ATOM 1360 C ASN A 144 -16.476 -0.680 -16.213 1.00 47.76 C ATOM 1361 O ASN A 144 -16.979 -0.269 -17.262 1.00 46.99 O ATOM 1362 CB ASN A 144 -16.023 1.154 -14.458 1.00 43.77 C ATOM 1363 CG ASN A 144 -17.044 2.130 -14.975 1.00 51.43 C ATOM 1364 OD1 ASN A 144 -16.788 3.325 -15.107 1.00 44.16 O ATOM 1365 ND2 ASN A 144 -18.233 1.650 -15.261 1.00 38.56 N ATOM 1366 HD22 ASN A 144 -18.427 0.635 -15.141 1.00 0.00 H ATOM 1367 HD21 ASN A 144 -18.981 2.285 -15.607 1.00 0.00 H ATOM 1368 H ASN A 144 -15.107 1.254 -17.358 1.00 0.00 H ATOM 1369 N PRO A 145 -16.831 -1.864 -15.637 1.00 43.41 N ATOM 1370 CA PRO A 145 -17.812 -2.771 -16.274 1.00 42.69 C ATOM 1371 C PRO A 145 -19.068 -2.171 -16.909 1.00 44.32 C ATOM 1372 O PRO A 145 -19.536 -2.710 -17.913 1.00 44.13 O ATOM 1373 CB PRO A 145 -18.206 -3.698 -15.126 1.00 44.72 C ATOM 1374 CG PRO A 145 -16.952 -3.837 -14.341 1.00 49.60 C ATOM 1375 CD PRO A 145 -16.263 -2.490 -14.418 1.00 45.49 C ATOM 1376 N THR A 146 -19.585 -1.060 -16.367 1.00 39.51 N ATOM 1377 CA THR A 146 -20.799 -0.390 -16.848 1.00 39.21 C ATOM 1378 C THR A 146 -20.524 0.556 -18.033 1.00 45.08 C ATOM 1379 O THR A 146 -21.216 0.484 -19.057 1.00 45.71 O ATOM 1380 CB THR A 146 -21.488 0.292 -15.668 1.00 40.39 C ATOM 1381 OG1 THR A 146 -21.835 -0.700 -14.708 1.00 36.92 O ATOM 1382 CG2 THR A 146 -22.716 1.082 -16.065 1.00 39.25 C ATOM 1383 HG1 THR A 146 -22.283 -0.269 -13.937 1.00 0.00 H ATOM 1384 H THR A 146 -19.093 -0.644 -15.550 1.00 0.00 H ATOM 1385 N MET A 147 -19.554 1.467 -17.887 1.00 40.76 N ATOM 1386 CA MET A 147 -19.259 2.414 -18.968 1.00 38.94 C ATOM 1387 C MET A 147 -18.462 1.764 -20.106 1.00 40.42 C ATOM 1388 O MET A 147 -18.552 2.259 -21.219 1.00 37.98 O ATOM 1389 CB MET A 147 -18.618 3.715 -18.457 1.00 40.57 C ATOM 1390 CG MET A 147 -19.586 4.585 -17.646 1.00 43.48 C ATOM 1391 SD MET A 147 -21.197 5.054 -18.375 1.00 46.77 S ATOM 1392 CE MET A 147 -20.673 6.170 -19.640 1.00 43.25 C ATOM 1393 H MET A 147 -19.007 1.504 -17.003 1.00 0.00 H ATOM 1394 N ASN A 148 -17.775 0.614 -19.854 1.00 38.59 N ATOM 1395 CA ASN A 148 -17.070 -0.176 -20.880 1.00 40.01 C ATOM 1396 C ASN A 148 -18.049 -0.770 -21.917 1.00 45.21 C ATOM 1397 O ASN A 148 -17.623 -1.184 -22.997 1.00 44.89 O ATOM 1398 CB ASN A 148 -16.288 -1.336 -20.253 1.00 42.80 C ATOM 1399 CG ASN A 148 -14.954 -0.982 -19.657 1.00 66.15 C ATOM 1400 OD1 ASN A 148 -14.414 0.120 -19.853 1.00 59.12 O ATOM 1401 ND2 ASN A 148 -14.393 -1.937 -18.919 1.00 55.42 N ATOM 1402 HD22 ASN A 148 -14.883 -2.844 -18.783 1.00 0.00 H ATOM 1403 HD21 ASN A 148 -13.465 -1.776 -18.479 1.00 0.00 H ATOM 1404 H ASN A 148 -17.746 0.271 -18.873 1.00 0.00 H ATOM 1405 N LEU A 149 -19.348 -0.838 -21.555 1.00 42.35 N ATOM 1406 CA LEU A 149 -20.454 -1.321 -22.377 1.00 41.70 C ATOM 1407 C LEU A 149 -20.818 -0.286 -23.437 1.00 44.44 C ATOM 1408 O LEU A 149 -21.366 -0.641 -24.471 1.00 43.73 O ATOM 1409 CB LEU A 149 -21.683 -1.613 -21.490 1.00 41.86 C ATOM 1410 CG LEU A 149 -21.662 -2.903 -20.670 1.00 47.17 C ATOM 1411 CD1 LEU A 149 -22.682 -2.840 -19.554 1.00 47.25 C ATOM 1412 CD2 LEU A 149 -21.916 -4.126 -21.552 1.00 49.38 C ATOM 1413 H LEU A 149 -19.584 -0.514 -20.595 1.00 0.00 H ATOM 1414 N LEU A 150 -20.529 0.988 -23.185 1.00 41.43 N ATOM 1415 CA LEU A 150 -20.835 2.046 -24.142 1.00 40.54 C ATOM 1416 C LEU A 150 -19.550 2.497 -24.876 1.00 44.82 C ATOM 1417 O LEU A 150 -18.426 2.157 -24.460 1.00 45.38 O ATOM 1418 CB LEU A 150 -21.540 3.229 -23.451 1.00 40.60 C ATOM 1419 CG LEU A 150 -22.861 2.947 -22.690 1.00 45.47 C ATOM 1420 CD1 LEU A 150 -23.256 4.128 -21.841 1.00 45.08 C ATOM 1421 CD2 LEU A 150 -24.003 2.644 -23.638 1.00 47.20 C ATOM 1422 H LEU A 150 -20.074 1.236 -22.283 1.00 0.00 H ATOM 1423 N THR A 151 -19.737 3.222 -25.988 1.00 39.05 N ATOM 1424 CA THR A 151 -18.676 3.732 -26.850 1.00 38.46 C ATOM 1425 C THR A 151 -18.929 5.220 -27.045 1.00 38.27 C ATOM 1426 O THR A 151 -19.855 5.611 -27.760 1.00 35.75 O ATOM 1427 CB THR A 151 -18.670 2.979 -28.214 1.00 45.59 C ATOM 1428 OG1 THR A 151 -18.513 1.574 -28.011 1.00 43.27 O ATOM 1429 CG2 THR A 151 -17.589 3.475 -29.155 1.00 45.97 C ATOM 1430 HG1 THR A 151 -18.512 1.113 -28.887 1.00 0.00 H ATOM 1431 H THR A 151 -20.718 3.438 -26.258 1.00 0.00 H ATOM 1432 N GLY A 152 -18.133 6.037 -26.371 1.00 35.96 N ATOM 1433 CA GLY A 152 -18.245 7.480 -26.521 1.00 35.76 C ATOM 1434 C GLY A 152 -17.655 7.932 -27.845 1.00 42.62 C ATOM 1435 O GLY A 152 -16.663 7.373 -28.323 1.00 42.20 O ATOM 1436 H GLY A 152 -17.419 5.642 -25.726 1.00 0.00 H ATOM 1437 N VAL A 153 -18.268 8.927 -28.463 1.00 41.61 N ATOM 1438 CA VAL A 153 -17.725 9.487 -29.691 1.00 42.33 C ATOM 1439 C VAL A 153 -17.484 10.958 -29.456 1.00 47.10 C ATOM 1440 O VAL A 153 -18.300 11.582 -28.772 1.00 46.05 O ATOM 1441 CB VAL A 153 -18.546 9.228 -30.987 1.00 46.11 C ATOM 1442 CG1 VAL A 153 -18.462 7.773 -31.414 1.00 46.61 C ATOM 1443 CG2 VAL A 153 -19.990 9.668 -30.847 1.00 46.00 C ATOM 1444 H VAL A 153 -19.148 9.314 -28.067 1.00 0.00 H ATOM 1445 N PRO A 154 -16.411 11.557 -30.043 1.00 43.78 N ATOM 1446 CA PRO A 154 -16.206 13.001 -29.869 1.00 42.09 C ATOM 1447 C PRO A 154 -17.520 13.779 -30.040 1.00 42.70 C ATOM 1448 O PRO A 154 -18.250 13.520 -31.002 1.00 40.94 O ATOM 1449 CB PRO A 154 -15.202 13.332 -30.976 1.00 43.70 C ATOM 1450 CG PRO A 154 -14.410 12.103 -31.128 1.00 48.58 C ATOM 1451 CD PRO A 154 -15.342 10.958 -30.883 1.00 44.52 C ATOM 1452 N ASN A 155 -17.853 14.668 -29.070 1.00 39.59 N ATOM 1453 CA ASN A 155 -19.072 15.507 -29.072 1.00 40.04 C ATOM 1454 C ASN A 155 -19.261 16.269 -30.391 1.00 45.05 C ATOM 1455 O ASN A 155 -20.406 16.503 -30.815 1.00 44.41 O ATOM 1456 CB ASN A 155 -19.059 16.513 -27.897 1.00 38.06 C ATOM 1457 CG ASN A 155 -20.039 17.671 -28.042 1.00 54.23 C ATOM 1458 OD1 ASN A 155 -21.233 17.564 -27.738 1.00 48.47 O ATOM 1459 ND2 ASN A 155 -19.578 18.786 -28.596 1.00 44.94 N ATOM 1460 HD22 ASN A 155 -18.572 18.864 -28.847 1.00 0.00 H ATOM 1461 HD21 ASN A 155 -20.223 19.581 -28.779 1.00 0.00 H ATOM 1462 H ASN A 155 -17.202 14.767 -28.265 1.00 0.00 H ATOM 1463 N GLY A 156 -18.139 16.721 -30.971 1.00 43.32 N ATOM 1464 CA GLY A 156 -18.107 17.494 -32.213 1.00 43.22 C ATOM 1465 C GLY A 156 -18.669 16.751 -33.416 1.00 46.84 C ATOM 1466 O GLY A 156 -19.039 17.371 -34.417 1.00 46.36 O ATOM 1467 H GLY A 156 -17.233 16.508 -30.508 1.00 0.00 H ATOM 1468 N MET A 157 -18.711 15.420 -33.319 1.00 43.69 N ATOM 1469 CA MET A 157 -19.215 14.502 -34.342 1.00 45.11 C ATOM 1470 C MET A 157 -20.715 14.156 -34.137 1.00 52.09 C ATOM 1471 O MET A 157 -21.253 13.379 -34.920 1.00 52.38 O ATOM 1472 CB MET A 157 -18.375 13.204 -34.340 1.00 47.13 C ATOM 1473 CG MET A 157 -16.898 13.396 -34.691 1.00 50.32 C ATOM 1474 SD MET A 157 -16.015 11.811 -34.591 1.00 54.45 S ATOM 1475 CE MET A 157 -14.319 12.332 -34.965 1.00 51.60 C ATOM 1476 H MET A 157 -18.354 14.998 -32.438 1.00 0.00 H ATOM 1477 N LEU A 158 -21.394 14.742 -33.111 1.00 50.68 N ATOM 1478 CA LEU A 158 -22.799 14.434 -32.775 1.00 51.05 C ATOM 1479 C LEU A 158 -23.789 14.401 -33.980 1.00 54.73 C ATOM 1480 O LEU A 158 -24.640 13.505 -34.047 1.00 53.42 O ATOM 1481 CB LEU A 158 -23.331 15.377 -31.680 1.00 50.78 C ATOM 1482 CG LEU A 158 -24.796 15.200 -31.275 1.00 54.83 C ATOM 1483 CD1 LEU A 158 -25.009 13.918 -30.511 1.00 54.43 C ATOM 1484 CD2 LEU A 158 -25.298 16.392 -30.517 1.00 57.67 C ATOM 1485 H LEU A 158 -20.894 15.446 -32.531 1.00 0.00 H ATOM 1486 N GLN A 159 -23.682 15.372 -34.903 1.00 50.51 N ATOM 1487 CA GLN A 159 -24.577 15.483 -36.053 1.00 49.71 C ATOM 1488 C GLN A 159 -24.056 14.762 -37.306 1.00 51.33 C ATOM 1489 O GLN A 159 -24.611 14.982 -38.377 1.00 51.50 O ATOM 1490 CB GLN A 159 -24.951 16.970 -36.372 1.00 51.73 C ATOM 1491 CG GLN A 159 -24.282 18.087 -35.537 1.00 68.55 C ATOM 1492 CD GLN A 159 -25.216 18.728 -34.532 1.00 89.32 C ATOM 1493 OE1 GLN A 159 -25.357 19.965 -34.465 1.00 79.44 O ATOM 1494 NE2 GLN A 159 -25.846 17.902 -33.695 1.00 85.63 N ATOM 1495 HE22 GLN A 159 -25.708 16.874 -33.776 1.00 0.00 H ATOM 1496 HE21 GLN A 159 -26.475 18.286 -32.961 1.00 0.00 H ATOM 1497 H GLN A 159 -22.926 16.078 -34.794 1.00 0.00 H ATOM 1498 N SER A 160 -23.046 13.867 -37.188 1.00 46.99 N ATOM 1499 CA SER A 160 -22.456 13.205 -38.365 1.00 46.35 C ATOM 1500 C SER A 160 -22.924 11.755 -38.626 1.00 51.14 C ATOM 1501 O SER A 160 -23.060 10.988 -37.674 1.00 49.98 O ATOM 1502 CB SER A 160 -20.931 13.260 -38.326 1.00 46.20 C ATOM 1503 OG SER A 160 -20.380 12.289 -37.454 1.00 50.48 O ATOM 1504 HG SER A 160 -20.716 12.443 -36.536 1.00 0.00 H ATOM 1505 H SER A 160 -22.677 13.641 -36.242 1.00 0.00 H ATOM 1506 N PRO A 161 -23.047 11.364 -39.933 1.00 46.91 N ATOM 1507 CA PRO A 161 -23.500 10.000 -40.283 1.00 46.00 C ATOM 1508 C PRO A 161 -22.646 8.829 -39.807 1.00 46.46 C ATOM 1509 O PRO A 161 -23.196 7.759 -39.515 1.00 45.22 O ATOM 1510 CB PRO A 161 -23.510 10.012 -41.826 1.00 47.86 C ATOM 1511 CG PRO A 161 -23.648 11.444 -42.193 1.00 53.07 C ATOM 1512 CD PRO A 161 -22.872 12.191 -41.147 1.00 48.25 C ATOM 1513 N GLN A 162 -21.316 8.992 -39.801 1.00 41.06 N ATOM 1514 CA GLN A 162 -20.365 7.915 -39.456 1.00 41.34 C ATOM 1515 C GLN A 162 -20.573 7.356 -38.050 1.00 44.60 C ATOM 1516 O GLN A 162 -20.148 6.227 -37.778 1.00 40.83 O ATOM 1517 CB GLN A 162 -18.894 8.400 -39.583 1.00 42.69 C ATOM 1518 CG GLN A 162 -18.369 8.590 -41.002 1.00 51.97 C ATOM 1519 CD GLN A 162 -19.070 9.696 -41.764 1.00 63.59 C ATOM 1520 OE1 GLN A 162 -19.494 10.714 -41.196 1.00 55.40 O ATOM 1521 NE2 GLN A 162 -19.228 9.498 -43.067 1.00 52.08 N ATOM 1522 HE22 GLN A 162 -18.859 8.632 -43.510 1.00 0.00 H ATOM 1523 HE21 GLN A 162 -19.720 10.209 -43.645 1.00 0.00 H ATOM 1524 H GLN A 162 -20.933 9.926 -40.052 1.00 0.00 H ATOM 1525 N VAL A 163 -21.207 8.155 -37.153 1.00 44.40 N ATOM 1526 CA VAL A 163 -21.372 7.758 -35.754 1.00 45.45 C ATOM 1527 C VAL A 163 -22.784 7.196 -35.387 1.00 50.30 C ATOM 1528 O VAL A 163 -22.840 6.510 -34.368 1.00 51.36 O ATOM 1529 CB VAL A 163 -20.911 8.860 -34.742 1.00 49.17 C ATOM 1530 CG1 VAL A 163 -19.421 9.168 -34.903 1.00 48.92 C ATOM 1531 CG2 VAL A 163 -21.743 10.132 -34.841 1.00 48.90 C ATOM 1532 H VAL A 163 -21.584 9.071 -37.468 1.00 0.00 H ATOM 1533 N LEU A 164 -23.885 7.433 -36.170 1.00 46.17 N ATOM 1534 CA LEU A 164 -25.214 6.857 -35.824 1.00 44.36 C ATOM 1535 C LEU A 164 -25.168 5.343 -35.511 1.00 49.14 C ATOM 1536 O LEU A 164 -25.620 4.966 -34.431 1.00 49.95 O ATOM 1537 CB LEU A 164 -26.307 7.149 -36.849 1.00 43.87 C ATOM 1538 CG LEU A 164 -26.838 8.566 -36.932 1.00 47.31 C ATOM 1539 CD1 LEU A 164 -27.782 8.702 -38.092 1.00 47.19 C ATOM 1540 CD2 LEU A 164 -27.537 9.007 -35.638 1.00 46.89 C ATOM 1541 H LEU A 164 -23.790 8.025 -37.020 1.00 0.00 H ATOM 1542 N PRO A 165 -24.531 4.470 -36.334 1.00 44.53 N ATOM 1543 CA PRO A 165 -24.446 3.044 -35.957 1.00 43.93 C ATOM 1544 C PRO A 165 -23.916 2.783 -34.534 1.00 47.24 C ATOM 1545 O PRO A 165 -24.412 1.885 -33.831 1.00 47.16 O ATOM 1546 CB PRO A 165 -23.518 2.453 -37.023 1.00 45.41 C ATOM 1547 CG PRO A 165 -23.717 3.333 -38.198 1.00 50.02 C ATOM 1548 CD PRO A 165 -23.924 4.706 -37.667 1.00 46.01 C ATOM 1549 N THR A 166 -22.926 3.590 -34.102 1.00 41.46 N ATOM 1550 CA THR A 166 -22.347 3.527 -32.769 1.00 39.71 C ATOM 1551 C THR A 166 -23.339 4.063 -31.709 1.00 40.25 C ATOM 1552 O THR A 166 -23.447 3.457 -30.656 1.00 40.45 O ATOM 1553 CB THR A 166 -20.993 4.299 -32.744 1.00 45.55 C ATOM 1554 OG1 THR A 166 -20.073 3.697 -33.653 1.00 37.52 O ATOM 1555 CG2 THR A 166 -20.364 4.342 -31.369 1.00 43.07 C ATOM 1556 HG1 THR A 166 -19.217 4.193 -33.631 1.00 0.00 H ATOM 1557 H THR A 166 -22.553 4.301 -34.763 1.00 0.00 H ATOM 1558 N LEU A 167 -24.008 5.205 -31.972 1.00 36.54 N ATOM 1559 CA LEU A 167 -24.931 5.850 -31.019 1.00 36.83 C ATOM 1560 C LEU A 167 -26.208 5.036 -30.815 1.00 43.42 C ATOM 1561 O LEU A 167 -26.728 5.023 -29.694 1.00 43.38 O ATOM 1562 CB LEU A 167 -25.229 7.322 -31.351 1.00 36.44 C ATOM 1563 CG LEU A 167 -23.989 8.245 -31.435 1.00 41.29 C ATOM 1564 CD1 LEU A 167 -24.340 9.616 -32.012 1.00 40.88 C ATOM 1565 CD2 LEU A 167 -23.251 8.357 -30.055 1.00 43.16 C ATOM 1566 H LEU A 167 -23.865 5.656 -32.898 1.00 0.00 H ATOM 1567 N ARG A 168 -26.644 4.286 -31.867 1.00 39.94 N ATOM 1568 CA ARG A 168 -27.777 3.357 -31.843 1.00 39.51 C ATOM 1569 C ARG A 168 -27.389 2.107 -31.048 1.00 43.34 C ATOM 1570 O ARG A 168 -28.156 1.664 -30.195 1.00 44.68 O ATOM 1571 CB ARG A 168 -28.223 3.008 -33.276 1.00 38.58 C ATOM 1572 CG ARG A 168 -29.309 1.950 -33.342 1.00 44.19 C ATOM 1573 CD ARG A 168 -29.780 1.630 -34.759 1.00 38.22 C ATOM 1574 NE ARG A 168 -30.488 2.736 -35.418 1.00 41.64 N ATOM 1575 CZ ARG A 168 -31.759 3.073 -35.210 1.00 52.16 C ATOM 1576 NH1 ARG A 168 -32.306 4.078 -35.891 1.00 41.55 N ATOM 1577 NH2 ARG A 168 -32.484 2.432 -34.298 1.00 38.86 N ATOM 1578 HE ARG A 168 -29.951 3.303 -36.105 1.00 0.00 H ATOM 1579 HH12 ARG A 168 -33.299 4.338 -35.726 1.00 0.00 H ATOM 1580 HH11 ARG A 168 -31.740 4.603 -36.588 1.00 0.00 H ATOM 1581 HH22 ARG A 168 -33.476 2.700 -34.140 1.00 0.00 H ATOM 1582 HH21 ARG A 168 -32.059 1.663 -33.742 1.00 0.00 H ATOM 1583 H ARG A 168 -26.127 4.382 -32.765 1.00 0.00 H ATOM 1584 N ARG A 169 -26.194 1.557 -31.291 1.00 37.83 N ATOM 1585 CA ARG A 169 -25.727 0.388 -30.553 1.00 37.47 C ATOM 1586 C ARG A 169 -25.642 0.738 -29.052 1.00 43.75 C ATOM 1587 O ARG A 169 -26.017 -0.092 -28.215 1.00 44.69 O ATOM 1588 CB ARG A 169 -24.386 -0.079 -31.117 1.00 36.41 C ATOM 1589 CG ARG A 169 -23.817 -1.380 -30.559 1.00 48.48 C ATOM 1590 CD ARG A 169 -22.756 -1.972 -31.504 1.00 66.30 C ATOM 1591 NE ARG A 169 -21.742 -0.994 -31.917 1.00 83.13 N ATOM 1592 CZ ARG A 169 -20.585 -0.788 -31.292 1.00104.50 C ATOM 1593 NH1 ARG A 169 -20.262 -1.505 -30.219 1.00 94.48 N ATOM 1594 NH2 ARG A 169 -19.737 0.131 -31.739 1.00 92.36 N ATOM 1595 HE ARG A 169 -21.943 -0.420 -32.760 1.00 0.00 H ATOM 1596 HH12 ARG A 169 -19.356 -1.339 -29.736 1.00 0.00 H ATOM 1597 HH11 ARG A 169 -20.915 -2.232 -29.863 1.00 0.00 H ATOM 1598 HH22 ARG A 169 -18.834 0.288 -31.247 1.00 0.00 H ATOM 1599 HH21 ARG A 169 -19.976 0.693 -32.581 1.00 0.00 H ATOM 1600 H ARG A 169 -25.583 1.972 -32.023 1.00 0.00 H ATOM 1601 N ASN A 170 -25.207 1.987 -28.721 1.00 39.63 N ATOM 1602 CA ASN A 170 -25.142 2.462 -27.332 1.00 38.99 C ATOM 1603 C ASN A 170 -26.539 2.388 -26.676 1.00 40.46 C ATOM 1604 O ASN A 170 -26.661 1.853 -25.578 1.00 39.11 O ATOM 1605 CB ASN A 170 -24.613 3.908 -27.258 1.00 35.87 C ATOM 1606 CG ASN A 170 -23.119 4.068 -27.404 1.00 37.81 C ATOM 1607 OD1 ASN A 170 -22.327 3.125 -27.332 1.00 33.96 O ATOM 1608 ND2 ASN A 170 -22.714 5.292 -27.571 1.00 31.90 N ATOM 1609 HD22 ASN A 170 -23.407 6.066 -27.628 1.00 0.00 H ATOM 1610 HD21 ASN A 170 -21.697 5.497 -27.648 1.00 0.00 H ATOM 1611 H ASN A 170 -24.909 2.630 -29.482 1.00 0.00 H ATOM 1612 N GLN A 171 -27.558 2.940 -27.362 1.00 38.00 N ATOM 1613 CA GLN A 171 -28.960 2.996 -26.963 1.00 37.66 C ATOM 1614 C GLN A 171 -29.570 1.589 -26.771 1.00 44.95 C ATOM 1615 O GLN A 171 -30.309 1.395 -25.803 1.00 45.64 O ATOM 1616 CB GLN A 171 -29.757 3.864 -27.940 1.00 37.97 C ATOM 1617 CG GLN A 171 -31.248 3.856 -27.661 1.00 36.53 C ATOM 1618 CD GLN A 171 -31.882 5.180 -27.390 1.00 44.44 C ATOM 1619 OE1 GLN A 171 -33.054 5.239 -27.044 1.00 41.22 O ATOM 1620 NE2 GLN A 171 -31.146 6.270 -27.531 1.00 30.69 N ATOM 1621 HE22 GLN A 171 -30.152 6.192 -27.826 1.00 0.00 H ATOM 1622 HE21 GLN A 171 -31.561 7.205 -27.346 1.00 0.00 H ATOM 1623 H GLN A 171 -27.319 3.374 -28.276 1.00 0.00 H ATOM 1624 N GLU A 172 -29.225 0.608 -27.654 1.00 41.48 N ATOM 1625 CA GLU A 172 -29.634 -0.800 -27.532 1.00 40.87 C ATOM 1626 C GLU A 172 -28.942 -1.464 -26.344 1.00 45.30 C ATOM 1627 O GLU A 172 -29.554 -2.307 -25.685 1.00 43.66 O ATOM 1628 CB GLU A 172 -29.301 -1.603 -28.802 1.00 41.69 C ATOM 1629 CG GLU A 172 -30.176 -1.250 -29.990 1.00 44.43 C ATOM 1630 CD GLU A 172 -29.776 -1.780 -31.357 1.00 54.02 C ATOM 1631 OE1 GLU A 172 -30.361 -1.284 -32.348 1.00 37.75 O ATOM 1632 OE2 GLU A 172 -28.915 -2.690 -31.449 1.00 40.52 O ATOM 1633 H GLU A 172 -28.634 0.873 -28.467 1.00 0.00 H ATOM 1634 N LYS A 173 -27.643 -1.141 -26.104 1.00 42.82 N ATOM 1635 CA LYS A 173 -26.920 -1.750 -24.985 1.00 42.38 C ATOM 1636 C LYS A 173 -27.350 -1.136 -23.658 1.00 43.55 C ATOM 1637 O LYS A 173 -27.197 -1.783 -22.619 1.00 43.65 O ATOM 1638 CB LYS A 173 -25.397 -1.721 -25.157 1.00 44.23 C ATOM 1639 CG LYS A 173 -24.889 -2.547 -26.337 1.00 56.07 C ATOM 1640 CD LYS A 173 -23.366 -2.476 -26.473 1.00 64.72 C ATOM 1641 CE LYS A 173 -22.659 -3.478 -25.580 1.00 55.09 C ATOM 1642 NZ LYS A 173 -21.190 -3.309 -25.616 1.00 46.23 N ATOM 1643 HZ1 LYS A 173 -20.851 -3.444 -26.590 1.00 0.00 H ATOM 1644 HZ2 LYS A 173 -20.944 -2.352 -25.291 1.00 0.00 H ATOM 1645 HZ3 LYS A 173 -20.746 -4.013 -24.992 1.00 0.00 H ATOM 1646 H LYS A 173 -27.159 -0.456 -26.720 1.00 0.00 H ATOM 1647 N LEU A 174 -27.880 0.110 -23.712 1.00 36.16 N ATOM 1648 CA LEU A 174 -28.411 0.835 -22.576 1.00 35.25 C ATOM 1649 C LEU A 174 -29.647 0.068 -22.083 1.00 40.44 C ATOM 1650 O LEU A 174 -29.737 -0.241 -20.903 1.00 40.84 O ATOM 1651 CB LEU A 174 -28.807 2.285 -22.992 1.00 33.97 C ATOM 1652 CG LEU A 174 -29.747 3.065 -22.036 1.00 36.13 C ATOM 1653 CD1 LEU A 174 -29.125 3.280 -20.666 1.00 34.11 C ATOM 1654 CD2 LEU A 174 -30.227 4.364 -22.665 1.00 36.58 C ATOM 1655 H LEU A 174 -27.908 0.581 -24.639 1.00 0.00 H ATOM 1656 N TYR A 175 -30.586 -0.227 -23.008 1.00 36.85 N ATOM 1657 CA TYR A 175 -31.827 -0.938 -22.723 1.00 36.50 C ATOM 1658 C TYR A 175 -31.532 -2.289 -22.121 1.00 41.24 C ATOM 1659 O TYR A 175 -31.979 -2.548 -21.012 1.00 41.37 O ATOM 1660 CB TYR A 175 -32.690 -1.059 -23.991 1.00 35.98 C ATOM 1661 CG TYR A 175 -33.283 0.240 -24.510 1.00 35.64 C ATOM 1662 CD1 TYR A 175 -33.540 0.418 -25.869 1.00 36.69 C ATOM 1663 CD2 TYR A 175 -33.656 1.261 -23.639 1.00 35.91 C ATOM 1664 CE1 TYR A 175 -34.163 1.574 -26.344 1.00 34.65 C ATOM 1665 CE2 TYR A 175 -34.305 2.408 -24.103 1.00 36.12 C ATOM 1666 CZ TYR A 175 -34.537 2.567 -25.461 1.00 35.52 C ATOM 1667 OH TYR A 175 -35.088 3.733 -25.945 1.00 30.62 O ATOM 1668 HH TYR A 175 -34.499 4.495 -25.716 1.00 0.00 H ATOM 1669 H TYR A 175 -30.412 0.073 -23.989 1.00 0.00 H ATOM 1670 N ARG A 176 -30.684 -3.090 -22.796 1.00 38.31 N ATOM 1671 CA ARG A 176 -30.245 -4.410 -22.371 1.00 38.79 C ATOM 1672 C ARG A 176 -29.678 -4.374 -20.958 1.00 43.79 C ATOM 1673 O ARG A 176 -29.979 -5.274 -20.164 1.00 43.68 O ATOM 1674 CB ARG A 176 -29.181 -4.950 -23.337 1.00 42.18 C ATOM 1675 CG ARG A 176 -29.580 -6.224 -24.072 1.00 62.53 C ATOM 1676 CD ARG A 176 -28.407 -6.781 -24.855 1.00 78.19 C ATOM 1677 NE ARG A 176 -28.361 -8.246 -24.828 1.00 93.69 N ATOM 1678 CZ ARG A 176 -27.747 -8.968 -23.893 1.00109.40 C ATOM 1679 NH1 ARG A 176 -27.136 -8.370 -22.876 1.00 87.39 N ATOM 1680 NH2 ARG A 176 -27.751 -10.292 -23.960 1.00102.78 N ATOM 1681 HE ARG A 176 -28.843 -8.758 -25.594 1.00 0.00 H ATOM 1682 HH12 ARG A 176 -26.658 -8.940 -22.149 1.00 0.00 H ATOM 1683 HH11 ARG A 176 -27.136 -7.332 -22.807 1.00 0.00 H ATOM 1684 HH22 ARG A 176 -27.270 -10.851 -23.227 1.00 0.00 H ATOM 1685 HH21 ARG A 176 -28.235 -10.771 -24.746 1.00 0.00 H ATOM 1686 H ARG A 176 -30.311 -2.733 -23.699 1.00 0.00 H ATOM 1687 N PHE A 177 -28.851 -3.333 -20.641 1.00 39.57 N ATOM 1688 CA PHE A 177 -28.245 -3.185 -19.310 1.00 37.22 C ATOM 1689 C PHE A 177 -29.318 -2.943 -18.250 1.00 37.20 C ATOM 1690 O PHE A 177 -29.282 -3.553 -17.184 1.00 35.82 O ATOM 1691 CB PHE A 177 -27.188 -2.067 -19.308 1.00 37.83 C ATOM 1692 CG PHE A 177 -26.660 -1.685 -17.945 1.00 37.97 C ATOM 1693 CD1 PHE A 177 -25.581 -2.358 -17.385 1.00 41.61 C ATOM 1694 CD2 PHE A 177 -27.232 -0.643 -17.229 1.00 37.98 C ATOM 1695 CE1 PHE A 177 -25.097 -2.004 -16.120 1.00 42.41 C ATOM 1696 CE2 PHE A 177 -26.744 -0.287 -15.970 1.00 41.56 C ATOM 1697 CZ PHE A 177 -25.684 -0.967 -15.425 1.00 40.08 C ATOM 1698 H PHE A 177 -28.643 -2.619 -21.368 1.00 0.00 H ATOM 1699 N LEU A 178 -30.233 -2.023 -18.541 1.00 33.29 N ATOM 1700 CA LEU A 178 -31.307 -1.654 -17.639 1.00 33.46 C ATOM 1701 C LEU A 178 -32.315 -2.783 -17.411 1.00 41.54 C ATOM 1702 O LEU A 178 -32.711 -3.003 -16.268 1.00 41.06 O ATOM 1703 CB LEU A 178 -31.983 -0.362 -18.086 1.00 32.28 C ATOM 1704 CG LEU A 178 -31.136 0.894 -17.938 1.00 35.18 C ATOM 1705 CD1 LEU A 178 -31.843 2.073 -18.506 1.00 36.16 C ATOM 1706 CD2 LEU A 178 -30.777 1.170 -16.488 1.00 33.21 C ATOM 1707 H LEU A 178 -30.176 -1.544 -19.462 1.00 0.00 H ATOM 1708 N ALA A 179 -32.673 -3.526 -18.474 1.00 40.10 N ATOM 1709 CA ALA A 179 -33.565 -4.681 -18.396 1.00 41.56 C ATOM 1710 C ALA A 179 -32.934 -5.749 -17.504 1.00 47.87 C ATOM 1711 O ALA A 179 -33.627 -6.363 -16.706 1.00 48.16 O ATOM 1712 CB ALA A 179 -33.823 -5.236 -19.789 1.00 42.52 C ATOM 1713 H ALA A 179 -32.293 -3.263 -19.406 1.00 0.00 H ATOM 1714 N HIS A 180 -31.608 -5.898 -17.568 1.00 45.81 N ATOM 1715 CA HIS A 180 -30.878 -6.825 -16.721 1.00 46.53 C ATOM 1716 C HIS A 180 -30.884 -6.444 -15.226 1.00 49.39 C ATOM 1717 O HIS A 180 -30.971 -7.340 -14.395 1.00 49.01 O ATOM 1718 CB HIS A 180 -29.446 -6.960 -17.237 1.00 48.52 C ATOM 1719 CG HIS A 180 -28.675 -8.063 -16.600 1.00 53.13 C ATOM 1720 ND1 HIS A 180 -27.870 -7.834 -15.495 1.00 55.70 N ATOM 1721 CD2 HIS A 180 -28.593 -9.373 -16.943 1.00 56.21 C ATOM 1722 CE1 HIS A 180 -27.323 -9.005 -15.202 1.00 55.87 C ATOM 1723 NE2 HIS A 180 -27.734 -9.965 -16.040 1.00 56.26 N ATOM 1724 H HIS A 180 -31.075 -5.326 -18.254 1.00 0.00 H ATOM 1725 N HIS A 181 -30.781 -5.140 -14.886 1.00 46.01 N ATOM 1726 CA HIS A 181 -30.673 -4.646 -13.503 1.00 45.69 C ATOM 1727 C HIS A 181 -31.927 -4.040 -12.847 1.00 46.91 C ATOM 1728 O HIS A 181 -31.969 -3.915 -11.618 1.00 47.17 O ATOM 1729 CB HIS A 181 -29.553 -3.598 -13.430 1.00 46.83 C ATOM 1730 CG HIS A 181 -28.175 -4.170 -13.496 1.00 50.67 C ATOM 1731 ND1 HIS A 181 -27.443 -4.158 -14.672 1.00 52.63 N ATOM 1732 CD2 HIS A 181 -27.443 -4.770 -12.531 1.00 52.82 C ATOM 1733 CE1 HIS A 181 -26.297 -4.752 -14.388 1.00 52.26 C ATOM 1734 NE2 HIS A 181 -26.246 -5.130 -13.111 1.00 52.79 N ATOM 1735 H HIS A 181 -30.778 -4.438 -15.653 1.00 0.00 H ATOM 1736 N SER A 182 -32.899 -3.604 -13.635 1.00 41.71 N ATOM 1737 CA SER A 182 -34.065 -2.911 -13.093 1.00 41.34 C ATOM 1738 C SER A 182 -35.449 -3.554 -13.382 1.00 46.55 C ATOM 1739 O SER A 182 -35.978 -3.421 -14.500 1.00 45.72 O ATOM 1740 CB SER A 182 -34.066 -1.450 -13.539 1.00 41.67 C ATOM 1741 OG SER A 182 -35.297 -0.791 -13.294 1.00 42.22 O ATOM 1742 HG SER A 182 -35.491 -0.808 -12.323 1.00 0.00 H ATOM 1743 H SER A 182 -32.830 -3.758 -14.661 1.00 0.00 H ATOM 1744 N PRO A 183 -36.086 -4.115 -12.312 1.00 43.07 N ATOM 1745 CA PRO A 183 -37.462 -4.650 -12.448 1.00 42.84 C ATOM 1746 C PRO A 183 -38.453 -3.612 -12.941 1.00 45.66 C ATOM 1747 O PRO A 183 -39.333 -3.959 -13.718 1.00 45.72 O ATOM 1748 CB PRO A 183 -37.836 -5.087 -11.017 1.00 44.31 C ATOM 1749 CG PRO A 183 -36.552 -5.234 -10.292 1.00 49.05 C ATOM 1750 CD PRO A 183 -35.558 -4.308 -10.943 1.00 44.50 C ATOM 1751 N TYR A 184 -38.318 -2.341 -12.483 1.00 41.90 N ATOM 1752 CA TYR A 184 -39.186 -1.237 -12.910 1.00 40.53 C ATOM 1753 C TYR A 184 -39.065 -1.026 -14.428 1.00 45.70 C ATOM 1754 O TYR A 184 -40.076 -0.782 -15.087 1.00 46.33 O ATOM 1755 CB TYR A 184 -38.819 0.058 -12.163 1.00 40.87 C ATOM 1756 CG TYR A 184 -39.698 1.231 -12.537 1.00 42.56 C ATOM 1757 CD1 TYR A 184 -40.859 1.514 -11.822 1.00 44.66 C ATOM 1758 CD2 TYR A 184 -39.399 2.030 -13.642 1.00 42.68 C ATOM 1759 CE1 TYR A 184 -41.687 2.576 -12.179 1.00 46.55 C ATOM 1760 CE2 TYR A 184 -40.250 3.058 -14.042 1.00 42.73 C ATOM 1761 CZ TYR A 184 -41.381 3.344 -13.294 1.00 53.22 C ATOM 1762 OH TYR A 184 -42.203 4.386 -13.660 1.00 57.69 O ATOM 1763 HH TYR A 184 -42.957 4.449 -13.022 1.00 0.00 H ATOM 1764 H TYR A 184 -37.563 -2.140 -11.796 1.00 0.00 H ATOM 1765 N PHE A 185 -37.819 -1.069 -14.973 1.00 41.25 N ATOM 1766 CA PHE A 185 -37.581 -0.907 -16.408 1.00 38.87 C ATOM 1767 C PHE A 185 -38.272 -2.061 -17.129 1.00 42.99 C ATOM 1768 O PHE A 185 -39.038 -1.801 -18.027 1.00 41.33 O ATOM 1769 CB PHE A 185 -36.072 -0.838 -16.759 1.00 38.94 C ATOM 1770 CG PHE A 185 -35.800 -0.612 -18.236 1.00 38.81 C ATOM 1771 CD1 PHE A 185 -35.994 0.637 -18.816 1.00 41.47 C ATOM 1772 CD2 PHE A 185 -35.395 -1.657 -19.053 1.00 39.33 C ATOM 1773 CE1 PHE A 185 -35.748 0.839 -20.183 1.00 41.04 C ATOM 1774 CE2 PHE A 185 -35.200 -1.464 -20.426 1.00 41.12 C ATOM 1775 CZ PHE A 185 -35.371 -0.216 -20.977 1.00 38.39 C ATOM 1776 H PHE A 185 -37.004 -1.223 -14.345 1.00 0.00 H ATOM 1777 N ARG A 186 -38.057 -3.313 -16.685 1.00 43.03 N ATOM 1778 CA ARG A 186 -38.695 -4.516 -17.250 1.00 42.61 C ATOM 1779 C ARG A 186 -40.219 -4.409 -17.339 1.00 47.43 C ATOM 1780 O ARG A 186 -40.788 -4.675 -18.403 1.00 47.86 O ATOM 1781 CB ARG A 186 -38.281 -5.754 -16.466 1.00 40.89 C ATOM 1782 CG ARG A 186 -36.830 -6.097 -16.705 1.00 42.22 C ATOM 1783 CD ARG A 186 -36.440 -7.456 -16.190 1.00 46.21 C ATOM 1784 NE ARG A 186 -36.672 -7.606 -14.754 1.00 43.58 N ATOM 1785 CZ ARG A 186 -35.760 -7.429 -13.810 1.00 59.19 C ATOM 1786 NH1 ARG A 186 -34.530 -7.039 -14.126 1.00 51.33 N ATOM 1787 NH2 ARG A 186 -36.070 -7.626 -12.541 1.00 50.29 N ATOM 1788 HE ARG A 186 -37.630 -7.873 -14.450 1.00 0.00 H ATOM 1789 HH12 ARG A 186 -33.820 -6.902 -13.379 1.00 0.00 H ATOM 1790 HH11 ARG A 186 -34.277 -6.870 -15.121 1.00 0.00 H ATOM 1791 HH22 ARG A 186 -35.351 -7.486 -11.802 1.00 0.00 H ATOM 1792 HH21 ARG A 186 -37.033 -7.921 -12.281 1.00 0.00 H ATOM 1793 H ARG A 186 -37.397 -3.440 -15.891 1.00 0.00 H ATOM 1794 N SER A 187 -40.863 -3.947 -16.247 1.00 44.10 N ATOM 1795 CA SER A 187 -42.314 -3.749 -16.143 1.00 44.09 C ATOM 1796 C SER A 187 -42.879 -2.693 -17.102 1.00 48.99 C ATOM 1797 O SER A 187 -43.971 -2.884 -17.649 1.00 48.29 O ATOM 1798 CB SER A 187 -42.691 -3.377 -14.709 1.00 46.33 C ATOM 1799 OG SER A 187 -42.348 -4.405 -13.794 1.00 44.95 O ATOM 1800 HG SER A 187 -41.372 -4.564 -13.829 1.00 0.00 H ATOM 1801 H SER A 187 -40.286 -3.713 -15.414 1.00 0.00 H ATOM 1802 N HIS A 188 -42.154 -1.565 -17.284 1.00 45.49 N ATOM 1803 CA HIS A 188 -42.606 -0.445 -18.109 1.00 43.93 C ATOM 1804 C HIS A 188 -41.831 -0.324 -19.430 1.00 46.06 C ATOM 1805 O HIS A 188 -41.934 0.705 -20.101 1.00 44.95 O ATOM 1806 CB HIS A 188 -42.488 0.858 -17.295 1.00 44.69 C ATOM 1807 CG HIS A 188 -43.270 0.861 -16.018 1.00 48.26 C ATOM 1808 ND1 HIS A 188 -42.704 0.450 -14.825 1.00 50.20 N ATOM 1809 CD2 HIS A 188 -44.547 1.247 -15.785 1.00 50.61 C ATOM 1810 CE1 HIS A 188 -43.664 0.548 -13.918 1.00 49.91 C ATOM 1811 NE2 HIS A 188 -44.784 1.044 -14.441 1.00 50.48 N ATOM 1812 H HIS A 188 -41.229 -1.491 -16.814 1.00 0.00 H ATOM 1813 N ARG A 189 -41.100 -1.381 -19.810 1.00 41.50 N ATOM 1814 CA ARG A 189 -40.193 -1.432 -20.953 1.00 41.74 C ATOM 1815 C ARG A 189 -40.766 -0.855 -22.259 1.00 51.25 C ATOM 1816 O ARG A 189 -40.123 0.052 -22.818 1.00 52.04 O ATOM 1817 CB ARG A 189 -39.624 -2.828 -21.155 1.00 36.60 C ATOM 1818 CG ARG A 189 -38.400 -2.846 -22.067 1.00 29.26 C ATOM 1819 CD ARG A 189 -37.744 -4.196 -22.133 1.00 31.44 C ATOM 1820 NE ARG A 189 -36.542 -4.120 -22.966 1.00 49.55 N ATOM 1821 CZ ARG A 189 -35.581 -5.029 -22.999 1.00 60.29 C ATOM 1822 NH1 ARG A 189 -35.672 -6.124 -22.265 1.00 43.87 N ATOM 1823 NH2 ARG A 189 -34.517 -4.851 -23.770 1.00 62.84 N ATOM 1824 HE ARG A 189 -36.435 -3.287 -23.579 1.00 0.00 H ATOM 1825 HH12 ARG A 189 -34.913 -6.835 -22.295 1.00 0.00 H ATOM 1826 HH11 ARG A 189 -36.502 -6.275 -21.657 1.00 0.00 H ATOM 1827 HH22 ARG A 189 -33.765 -5.569 -23.792 1.00 0.00 H ATOM 1828 HH21 ARG A 189 -34.435 -3.994 -24.353 1.00 0.00 H ATOM 1829 H ARG A 189 -41.187 -2.245 -19.238 1.00 0.00 H ATOM 1830 N ALA A 190 -41.965 -1.317 -22.711 1.00 48.03 N ATOM 1831 CA ALA A 190 -42.613 -0.828 -23.932 1.00 47.82 C ATOM 1832 C ALA A 190 -42.840 0.672 -23.937 1.00 50.83 C ATOM 1833 O ALA A 190 -42.588 1.307 -24.960 1.00 50.78 O ATOM 1834 CB ALA A 190 -43.933 -1.550 -24.174 1.00 48.69 C ATOM 1835 H ALA A 190 -42.447 -2.056 -22.161 1.00 0.00 H ATOM 1836 N ALA A 191 -43.326 1.243 -22.817 1.00 45.96 N ATOM 1837 CA ALA A 191 -43.588 2.683 -22.710 1.00 45.08 C ATOM 1838 C ALA A 191 -42.281 3.492 -22.568 1.00 48.62 C ATOM 1839 O ALA A 191 -42.210 4.624 -23.052 1.00 47.41 O ATOM 1840 CB ALA A 191 -44.498 2.957 -21.530 1.00 45.76 C ATOM 1841 H ALA A 191 -43.524 0.638 -21.994 1.00 0.00 H ATOM 1842 N ILE A 192 -41.267 2.917 -21.883 1.00 44.76 N ATOM 1843 CA ILE A 192 -39.962 3.560 -21.681 1.00 44.59 C ATOM 1844 C ILE A 192 -39.191 3.623 -23.009 1.00 46.99 C ATOM 1845 O ILE A 192 -38.817 4.711 -23.404 1.00 45.03 O ATOM 1846 CB ILE A 192 -39.116 2.974 -20.514 1.00 47.28 C ATOM 1847 CG1 ILE A 192 -39.900 2.987 -19.171 1.00 46.63 C ATOM 1848 CG2 ILE A 192 -37.783 3.762 -20.390 1.00 49.01 C ATOM 1849 CD1 ILE A 192 -39.189 2.304 -17.950 1.00 45.15 C ATOM 1850 H ILE A 192 -41.419 1.971 -21.478 1.00 0.00 H ATOM 1851 N GLU A 193 -39.003 2.469 -23.700 1.00 44.87 N ATOM 1852 CA GLU A 193 -38.312 2.358 -24.993 1.00 44.95 C ATOM 1853 C GLU A 193 -38.941 3.205 -26.075 1.00 52.49 C ATOM 1854 O GLU A 193 -38.209 3.735 -26.908 1.00 53.17 O ATOM 1855 CB GLU A 193 -38.187 0.902 -25.460 1.00 45.29 C ATOM 1856 CG GLU A 193 -37.124 0.136 -24.702 1.00 40.90 C ATOM 1857 CD GLU A 193 -36.695 -1.200 -25.265 1.00 63.38 C ATOM 1858 OE1 GLU A 193 -36.905 -1.444 -26.477 1.00 67.28 O ATOM 1859 OE2 GLU A 193 -36.093 -1.987 -24.499 1.00 56.60 O ATOM 1860 H GLU A 193 -39.378 1.594 -23.281 1.00 0.00 H ATOM 1861 N HIS A 194 -40.278 3.371 -26.042 1.00 50.15 N ATOM 1862 CA HIS A 194 -41.005 4.190 -27.009 1.00 50.59 C ATOM 1863 C HIS A 194 -40.878 5.685 -26.721 1.00 53.53 C ATOM 1864 O HIS A 194 -40.684 6.452 -27.671 1.00 56.15 O ATOM 1865 CB HIS A 194 -42.492 3.758 -27.135 1.00 51.75 C ATOM 1866 CG HIS A 194 -43.368 4.743 -27.860 1.00 55.04 C ATOM 1867 ND1 HIS A 194 -43.991 5.791 -27.191 1.00 56.60 N ATOM 1868 CD2 HIS A 194 -43.684 4.821 -29.174 1.00 56.48 C ATOM 1869 CE1 HIS A 194 -44.645 6.475 -28.117 1.00 55.68 C ATOM 1870 NE2 HIS A 194 -44.493 5.929 -29.324 1.00 56.09 N ATOM 1871 H HIS A 194 -40.818 2.893 -25.292 1.00 0.00 H ATOM 1872 N ALA A 195 -41.038 6.120 -25.447 1.00 45.78 N ATOM 1873 CA ALA A 195 -40.980 7.551 -25.113 1.00 43.98 C ATOM 1874 C ALA A 195 -39.543 8.150 -25.112 1.00 46.88 C ATOM 1875 O ALA A 195 -39.395 9.381 -25.154 1.00 46.06 O ATOM 1876 CB ALA A 195 -41.675 7.817 -23.784 1.00 44.44 C ATOM 1877 H ALA A 195 -41.205 5.427 -24.690 1.00 0.00 H ATOM 1878 N THR A 196 -38.511 7.274 -25.063 1.00 42.29 N ATOM 1879 CA THR A 196 -37.089 7.636 -25.045 1.00 42.76 C ATOM 1880 C THR A 196 -36.376 7.196 -26.351 1.00 47.07 C ATOM 1881 O THR A 196 -35.132 7.126 -26.384 1.00 46.28 O ATOM 1882 CB THR A 196 -36.360 6.993 -23.839 1.00 37.49 C ATOM 1883 OG1 THR A 196 -36.359 5.589 -23.983 1.00 35.78 O ATOM 1884 CG2 THR A 196 -36.912 7.417 -22.480 1.00 35.89 C ATOM 1885 HG1 THR A 196 -37.293 5.261 -24.018 1.00 0.00 H ATOM 1886 H THR A 196 -38.746 6.261 -25.036 1.00 0.00 H ATOM 1887 N ALA A 197 -37.173 6.868 -27.398 1.00 43.27 N ATOM 1888 CA ALA A 197 -36.731 6.353 -28.705 1.00 43.13 C ATOM 1889 C ALA A 197 -35.516 7.068 -29.300 1.00 43.21 C ATOM 1890 O ALA A 197 -35.386 8.274 -29.157 1.00 40.47 O ATOM 1891 CB ALA A 197 -37.887 6.390 -29.703 1.00 43.81 C ATOM 1892 H ALA A 197 -38.197 6.992 -27.265 1.00 0.00 H ATOM 1893 N PHE A 198 -34.649 6.317 -29.975 1.00 41.71 N ATOM 1894 CA PHE A 198 -33.477 6.839 -30.674 1.00 42.94 C ATOM 1895 C PHE A 198 -33.827 8.005 -31.613 1.00 49.75 C ATOM 1896 O PHE A 198 -33.045 8.948 -31.734 1.00 49.23 O ATOM 1897 CB PHE A 198 -32.817 5.716 -31.482 1.00 45.35 C ATOM 1898 CG PHE A 198 -31.487 6.078 -32.116 1.00 46.82 C ATOM 1899 CD1 PHE A 198 -31.390 6.306 -33.482 1.00 48.81 C ATOM 1900 CD2 PHE A 198 -30.329 6.148 -31.350 1.00 48.44 C ATOM 1901 CE1 PHE A 198 -30.168 6.633 -34.064 1.00 49.77 C ATOM 1902 CE2 PHE A 198 -29.109 6.494 -31.930 1.00 51.09 C ATOM 1903 CZ PHE A 198 -29.029 6.710 -33.284 1.00 49.04 C ATOM 1904 H PHE A 198 -34.817 5.291 -30.007 1.00 0.00 H ATOM 1905 N ASP A 199 -35.023 7.942 -32.248 1.00 47.70 N ATOM 1906 CA ASP A 199 -35.555 8.893 -33.231 1.00 47.81 C ATOM 1907 C ASP A 199 -36.694 9.788 -32.715 1.00 51.16 C ATOM 1908 O ASP A 199 -37.252 10.565 -33.497 1.00 52.06 O ATOM 1909 CB ASP A 199 -36.004 8.125 -34.504 1.00 50.52 C ATOM 1910 CG ASP A 199 -36.251 6.625 -34.316 1.00 65.62 C ATOM 1911 OD1 ASP A 199 -36.977 6.249 -33.348 1.00 65.62 O ATOM 1912 OD2 ASP A 199 -35.703 5.823 -35.121 1.00 69.63 O ATOM 1913 H ASP A 199 -35.630 7.131 -32.013 1.00 0.00 H ATOM 1914 N LYS A 200 -36.985 9.729 -31.401 1.00 45.91 N ATOM 1915 CA LYS A 200 -38.080 10.419 -30.717 1.00 45.14 C ATOM 1916 C LYS A 200 -38.209 11.931 -31.008 1.00 52.20 C ATOM 1917 O LYS A 200 -39.346 12.422 -31.072 1.00 51.87 O ATOM 1918 CB LYS A 200 -38.004 10.160 -29.204 1.00 46.05 C ATOM 1919 CG LYS A 200 -39.190 10.672 -28.363 1.00 48.18 C ATOM 1920 CD LYS A 200 -40.523 9.952 -28.583 1.00 43.44 C ATOM 1921 CE LYS A 200 -41.631 10.840 -28.046 1.00 55.71 C ATOM 1922 NZ LYS A 200 -42.636 10.102 -27.234 1.00 65.54 N ATOM 1923 HZ1 LYS A 200 -43.080 9.366 -27.819 1.00 0.00 H ATOM 1924 HZ2 LYS A 200 -42.165 9.661 -26.419 1.00 0.00 H ATOM 1925 HZ3 LYS A 200 -43.363 10.765 -26.898 1.00 0.00 H ATOM 1926 H LYS A 200 -36.369 9.132 -30.813 1.00 0.00 H ATOM 1927 N MET A 201 -37.088 12.669 -31.176 1.00 50.02 N ATOM 1928 CA MET A 201 -37.181 14.114 -31.448 1.00 50.58 C ATOM 1929 C MET A 201 -37.729 14.421 -32.853 1.00 54.82 C ATOM 1930 O MET A 201 -38.361 15.469 -33.050 1.00 54.68 O ATOM 1931 CB MET A 201 -35.866 14.859 -31.171 1.00 53.47 C ATOM 1932 CG MET A 201 -35.420 14.818 -29.693 1.00 57.54 C ATOM 1933 SD MET A 201 -36.748 14.931 -28.444 1.00 62.10 S ATOM 1934 CE MET A 201 -37.177 16.717 -28.587 1.00 58.19 C ATOM 1935 H MET A 201 -36.155 12.214 -31.113 1.00 0.00 H ATOM 1936 N LYS A 202 -37.544 13.479 -33.798 1.00 52.27 N ATOM 1937 CA LYS A 202 -38.086 13.571 -35.161 1.00 53.31 C ATOM 1938 C LYS A 202 -39.563 13.084 -35.188 1.00 60.21 C ATOM 1939 O LYS A 202 -40.358 13.568 -35.996 1.00 60.29 O ATOM 1940 CB LYS A 202 -37.209 12.790 -36.159 1.00 55.81 C ATOM 1941 CG LYS A 202 -35.963 13.561 -36.603 1.00 65.29 C ATOM 1942 CD LYS A 202 -34.920 12.659 -37.254 1.00 75.06 C ATOM 1943 CE LYS A 202 -33.779 13.440 -37.863 1.00 75.80 C ATOM 1944 NZ LYS A 202 -34.175 14.116 -39.125 1.00 80.72 N ATOM 1945 HZ1 LYS A 202 -34.486 13.403 -39.816 1.00 0.00 H ATOM 1946 HZ2 LYS A 202 -34.955 14.777 -38.933 1.00 0.00 H ATOM 1947 HZ3 LYS A 202 -33.361 14.639 -39.507 1.00 0.00 H ATOM 1948 H LYS A 202 -36.985 12.638 -33.549 1.00 0.00 H ATOM 1949 N GLN A 203 -39.927 12.164 -34.265 1.00 58.04 N ATOM 1950 CA GLN A 203 -41.273 11.597 -34.130 1.00 58.26 C ATOM 1951 C GLN A 203 -42.194 12.390 -33.156 1.00 62.09 C ATOM 1952 O GLN A 203 -43.144 11.813 -32.619 1.00 61.92 O ATOM 1953 CB GLN A 203 -41.190 10.113 -33.724 1.00 59.81 C ATOM 1954 CG GLN A 203 -40.486 9.212 -34.739 1.00 76.33 C ATOM 1955 CD GLN A 203 -40.052 7.888 -34.149 1.00102.58 C ATOM 1956 OE1 GLN A 203 -39.959 7.706 -32.924 1.00 97.92 O ATOM 1957 NE2 GLN A 203 -39.739 6.936 -35.019 1.00100.48 N ATOM 1958 HE22 GLN A 203 -39.826 7.115 -36.040 1.00 0.00 H ATOM 1959 HE21 GLN A 203 -39.407 6.011 -34.680 1.00 0.00 H ATOM 1960 H GLN A 203 -39.197 11.834 -33.601 1.00 0.00 H ATOM 1961 N LEU A 204 -41.925 13.704 -32.941 1.00 57.57 N ATOM 1962 CA LEU A 204 -42.742 14.578 -32.072 1.00 55.11 C ATOM 1963 C LEU A 204 -44.140 14.888 -32.658 1.00 67.62 C ATOM 1964 O LEU A 204 -45.051 15.223 -31.864 1.00 67.12 O ATOM 1965 CB LEU A 204 -42.020 15.906 -31.738 1.00 54.58 C ATOM 1966 CG LEU A 204 -41.030 15.938 -30.561 1.00 57.98 C ATOM 1967 CD1 LEU A 204 -40.368 17.302 -30.458 1.00 57.10 C ATOM 1968 CD2 LEU A 204 -41.714 15.618 -29.226 1.00 59.26 C ATOM 1969 OXT LEU A 204 -44.311 14.839 -33.902 1.00 83.65 O ATOM 1970 H LEU A 204 -41.097 14.119 -33.415 1.00 0.00 H TER 1971 LEU A 204 HETATM 1972 O HOH 1 -15.168 0.070 -6.649 1.00 38.87 O HETATM 1973 O HOH 2 -31.818 -3.523 -26.519 1.00 39.15 O HETATM 1974 O HOH 3 -17.757 26.610 -16.740 1.00 33.44 O HETATM 1975 O HOH 4 -14.664 6.525 -2.833 1.00 61.32 O HETATM 1976 O HOH 5 -21.283 11.695 -22.309 1.00 29.04 O HETATM 1977 O HOH 6 -28.233 6.949 -28.333 1.00 25.76 O HETATM 1978 O HOH 7 -13.899 19.869 -16.274 1.00 32.19 O HETATM 1979 O HOH 8 -20.476 15.415 -19.107 1.00 34.13 O HETATM 1980 O HOH 9 -34.876 10.826 -20.750 1.00 49.70 O HETATM 1981 O HOH 10 -16.598 22.805 -20.309 1.00 27.92 O HETATM 1982 O HOH 11 -21.966 25.975 -15.671 1.00 31.75 O HETATM 1983 O HOH 12 -32.210 26.429 -18.088 1.00 39.59 O HETATM 1984 O HOH 13 -35.802 26.940 -17.099 1.00 48.78 O HETATM 1985 O HOH 14 -19.627 17.602 -20.451 1.00 35.62 O HETATM 1986 O HOH 15 -39.077 0.945 -29.804 1.00 59.86 O HETATM 1987 O HOH 16 -36.866 2.252 -28.684 1.00 32.90 O HETATM 1988 O HOH 17 -34.837 3.515 -29.977 1.00 42.29 O HETATM 1989 O HOH 18 -32.694 1.795 -29.810 1.00 42.69 O HETATM 1990 O HOH 19 -13.606 8.589 -14.839 1.00 31.74 O HETATM 1991 O HOH 20 -16.856 18.638 -22.409 1.00 44.96 O HETATM 1992 O HOH 21 -24.887 10.959 -35.677 1.00 44.99 O HETATM 1993 O HOH 22 -30.732 1.654 -4.205 1.00 39.19 O HETATM 1994 O HOH 23 -19.042 20.875 -26.654 1.00 37.18 O HETATM 1995 O HOH 24 -17.497 18.912 -25.480 1.00 50.05 O HETATM 1996 O HOH 25 -16.112 23.068 -17.192 1.00 47.13 O HETATM 1997 O HOH 26 -25.369 -3.999 -9.746 1.00 47.48 O HETATM 1998 O HOH 27 -19.861 24.753 -14.219 1.00 38.59 O HETATM 1999 O HOH 28 -25.065 15.957 0.088 1.00 57.30 O HETATM 2000 O HOH 29 -21.623 -3.444 -14.806 1.00 51.64 O HETATM 2001 O HOH 30 -12.085 26.886 -20.054 1.00 34.37 O HETATM 2002 O HOH 31 -15.376 20.701 -21.366 1.00 45.53 O HETATM 2003 O HOH 32 -10.054 11.096 -20.894 1.00 36.93 O HETATM 2004 C11 UNN A 33 -38.091 17.590 -12.492 1.00 0.03 C HETATM 2005 C12 UNN A 33 -37.467 18.702 -13.096 1.00 -0.04 C HETATM 2006 C13 UNN A 33 -37.984 19.218 -14.302 1.00 0.03 C HETATM 2007 C14 UNN A 33 -39.116 18.609 -14.897 1.00 -0.04 C HETATM 2008 C9 UNN A 33 -39.734 17.490 -14.279 1.00 0.02 C HETATM 2009 C8 UNN A 33 -40.972 16.741 -14.803 1.00 0.10 C HETATM 2010 C7 UNN A 33 -40.360 15.741 -15.771 1.00 0.24 C HETATM 2011 O17 UNN A 33 -40.089 14.641 -15.298 1.00 -0.39 O HETATM 2012 N3 UNN A 33 -40.144 16.097 -17.073 1.00 -0.26 N HETATM 2013 C2 UNN A 33 -39.537 15.222 -18.104 1.00 0.13 C HETATM 2014 C1 UNN A 33 -38.249 15.837 -18.661 1.00 0.20 C HETATM 2015 O4 UNN A 33 -37.763 16.813 -18.094 1.00 -0.39 O HETATM 2016 N6 UNN A 33 -37.664 15.297 -19.762 1.00 -0.27 N HETATM 2017 C24 UNN A 33 -36.448 15.887 -20.307 1.00 0.09 C HETATM 2018 C25 UNN A 33 -36.141 15.279 -21.677 1.00 0.07 C HETATM 2019 C30 UNN A 33 -37.025 15.408 -22.765 1.00 -0.00 C HETATM 2020 C29 UNN A 33 -36.655 14.818 -23.988 1.00 0.03 C HETATM 2021 N28 UNN A 33 -35.471 14.152 -24.093 1.00 -0.26 N HETATM 2022 C27 UNN A 33 -34.613 14.067 -23.034 1.00 0.15 C HETATM 2023 N26 UNN A 33 -34.957 14.643 -21.843 1.00 -0.25 N HETATM 2024 C31 UNN A 33 -33.331 13.391 -23.180 1.00 0.06 C HETATM 2025 N32 UNN A 33 -32.636 13.433 -24.288 1.00 -0.33 N HETATM 2026 H UNN A 33 -31.753 12.951 -24.348 1.00 0.14 H HETATM 2027 H UNN A 33 -32.936 12.829 -22.335 1.00 0.12 H HETATM 2028 H UNN A 33 -37.312 14.893 -24.847 1.00 0.09 H HETATM 2029 H UNN A 33 -37.961 15.945 -22.664 1.00 0.08 H HETATM 2030 H UNN A 33 -36.586 16.973 -20.413 1.00 0.07 H HETATM 2031 H UNN A 33 -35.609 15.689 -19.624 1.00 0.07 H HETATM 2032 H UNN A 33 -38.068 14.494 -20.199 1.00 0.19 H HETATM 2033 C5 UNN A 33 -40.553 14.832 -19.245 1.00 -0.00 C HETATM 2034 C18 UNN A 33 -41.390 16.013 -19.841 1.00 -0.05 C HETATM 2035 C19 UNN A 33 -40.712 16.822 -20.982 1.00 -0.06 C HETATM 2036 H UNN A 33 -41.390 17.620 -21.319 1.00 0.02 H HETATM 2037 H UNN A 33 -40.489 16.151 -21.825 1.00 0.02 H HETATM 2038 H UNN A 33 -39.778 17.268 -20.610 1.00 0.02 H HETATM 2039 H UNN A 33 -41.617 16.712 -19.022 1.00 0.03 H HETATM 2040 H UNN A 33 -42.328 15.595 -20.236 1.00 0.03 H HETATM 2041 C20 UNN A 33 -41.480 13.689 -18.748 1.00 -0.06 C HETATM 2042 H UNN A 33 -40.868 12.874 -18.335 1.00 0.02 H HETATM 2043 H UNN A 33 -42.077 13.309 -19.590 1.00 0.02 H HETATM 2044 H UNN A 33 -42.152 14.075 -17.967 1.00 0.02 H HETATM 2045 H UNN A 33 -39.952 14.432 -20.075 1.00 0.03 H HETATM 2046 H UNN A 33 -39.254 14.286 -17.601 1.00 0.08 H HETATM 2047 H UNN A 33 -40.416 17.018 -17.351 1.00 0.19 H HETATM 2048 N21 UNN A 33 -42.031 17.635 -15.386 1.00 0.26 N HETATM 2049 C22 UNN A 33 -43.278 16.885 -15.729 1.00 -0.04 C HETATM 2050 H UNN A 33 -44.020 17.580 -16.150 1.00 0.08 H HETATM 2051 H UNN A 33 -43.687 16.419 -14.821 1.00 0.08 H HETATM 2052 H UNN A 33 -43.045 16.105 -16.468 1.00 0.08 H HETATM 2053 C23 UNN A 33 -42.408 18.816 -14.547 1.00 -0.04 C HETATM 2054 H UNN A 33 -41.503 19.382 -14.283 1.00 0.08 H HETATM 2055 H UNN A 33 -42.904 18.470 -13.629 1.00 0.08 H HETATM 2056 H UNN A 33 -43.094 19.464 -15.113 1.00 0.08 H HETATM 2057 H UNN A 33 -41.649 17.997 -16.246 1.00 0.21 H HETATM 2058 H UNN A 33 -41.442 16.194 -13.973 1.00 0.13 H HETATM 2059 C10 UNN A 33 -39.205 16.995 -13.083 1.00 -0.04 C HETATM 2060 H UNN A 33 -39.667 16.137 -12.609 1.00 0.06 H HETATM 2061 H UNN A 33 -39.512 18.999 -15.828 1.00 0.06 H HETATM 2062 CL2 UNN A 33 -37.241 20.635 -15.029 1.00 -0.07 CL HETATM 2063 H UNN A 33 -36.597 19.156 -12.636 1.00 0.06 H HETATM 2064 CL1 UNN A 33 -37.485 16.842 -11.037 1.00 -0.07 CL CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 2004 2005 2059 2064 CONECT 2005 2004 2006 2063 CONECT 2006 2005 2007 2062 CONECT 2007 2006 2008 2061 CONECT 2008 2007 2009 2059 CONECT 2009 2008 2010 2048 2058 CONECT 2010 2009 2011 2012 CONECT 2011 2010 CONECT 2012 2010 2013 2047 CONECT 2013 2012 2014 2033 2046 CONECT 2014 2013 2015 2016 CONECT 2015 2014 CONECT 2016 2014 2017 2032 CONECT 2017 2016 2018 2030 2031 CONECT 2018 2017 2019 2023 CONECT 2019 2018 2020 2029 CONECT 2020 2019 2021 2028 CONECT 2021 2020 2022 CONECT 2022 2021 2023 2024 CONECT 2023 2018 2022 CONECT 2024 2022 2025 2027 CONECT 2025 2024 2026 CONECT 2026 2025 CONECT 2027 2024 CONECT 2028 2020 CONECT 2029 2019 CONECT 2030 2017 CONECT 2031 2017 CONECT 2032 2016 CONECT 2033 2013 2034 2041 2045 CONECT 2034 2033 2035 2039 2040 CONECT 2035 2034 2036 2037 2038 CONECT 2036 2035 CONECT 2037 2035 CONECT 2038 2035 CONECT 2039 2034 CONECT 2040 2034 CONECT 2041 2033 2042 2043 2044 CONECT 2042 2041 CONECT 2043 2041 CONECT 2044 2041 CONECT 2045 2033 CONECT 2046 2013 CONECT 2047 2012 CONECT 2048 2009 2049 2053 2057 CONECT 2049 2048 2050 2051 2052 CONECT 2050 2049 CONECT 2051 2049 CONECT 2052 2049 CONECT 2053 2048 2054 2055 2056 CONECT 2054 2053 CONECT 2055 2053 CONECT 2056 2053 CONECT 2057 2048 CONECT 2058 2009 CONECT 2059 2004 2008 2060 CONECT 2060 2059 CONECT 2061 2007 CONECT 2062 2006 CONECT 2063 2005 CONECT 2064 2004 MASTER 0 0 0 0 0 0 0 0 2063 1 65 16 END
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Related entries of code: 4pis
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4piq
RCSB PDB
PDBbind
11aa, >4PIQ_2|Chain... *
4wx6
RCSB PDB
PDBbind
11aa, >4WX6_2|Chains... at 100%
4wx7
RCSB PDB
PDBbind
11aa, >4WX7_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
4pis
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protease AVP8
Ligand Name
3FU
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
IC50=0.06uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Med.Chem.Lett. Vol. 5: pp. 937-941
Ligand Properties
Formula
C
2
2
H
2
9
Cl
2
N
6
O
2
Molecular Weight
480.411
Exact Mass
479.173
No. of atoms
61
No. of bonds
62
Polar Surface Area
112.27
LOGP Value
3.32 (
Computed with XLOGP3
)
2.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
Canonical SMILES
CC[C@@H]([C@@H](C(=O)NCc1ccnc(n1)C=N)NC(=O)[C@@H](c1cc(Cl)cc(c1)Cl)[NH+](C)C)C
InChI String
InChI=1S/C22H28Cl2N6O2/c1-5-13(2)19(21(31)27-12-17-6-7-26-18(11-25)28-17)29-22(32)20(30(3)4)14-8-15(23)10-16(24)9-14/h6-11,13,19-20,25H,5,12H2,1-4H3,(H,27,31)(H,29,32)/p+1/b25-11+/t13-,19-,20+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
B9A5B9
B9A5C1
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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