Browse entries in the PDBbind-CN Database
HEADER 4WYP_COMPLEX COMPND 4WYP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL GLY CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL SEQRES 1 B 125 MET LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS SEQRES 2 B 125 MET ASP SER SER THR SER ALA ALA SER SER SER ASN TYR SEQRES 3 B 125 CYS ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP SEQRES 4 B 125 ARG CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU SEQRES 5 B 125 ALA ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA SEQRES 6 B 125 CYS LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER SEQRES 7 B 125 THR MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER SEQRES 8 B 125 LYS TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN SEQRES 9 B 125 LYS HIS ILE ILE VAL GLY CYS GLU GLY ASN PRO TYR VAL SEQRES 10 B 125 PRO VAL HIS PHE ASP ALA SER VAL HET AMP A 674 35 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 SSBOND 5 CYS B 65 CYS B 72 SSBOND 6 CYS B 26 CYS B 84 SSBOND 7 CYS B 40 CYS B 95 SSBOND 8 CYS B 58 CYS B 110 ATOM 1 N LYS A 1 10.534 -3.229 -15.377 1.00 37.40 N ATOM 2 CA LYS A 1 10.533 -4.660 -15.774 1.00 39.02 C ATOM 3 C LYS A 1 10.321 -5.564 -14.557 1.00 43.36 C ATOM 4 O LYS A 1 9.191 -5.937 -14.242 1.00 40.07 O ATOM 5 CB LYS A 1 11.842 -5.016 -16.480 1.00 45.25 C ATOM 6 HN3 LYS A 1 11.302 -3.060 -14.696 1.00 0.00 H ATOM 7 HN2 LYS A 1 9.621 -2.992 -14.938 1.00 0.00 H ATOM 8 HN1 LYS A 1 10.679 -2.637 -16.220 1.00 0.00 H ATOM 9 N GLU A 2 11.409 -5.899 -13.873 1.00 21.99 N ATOM 10 CA GLU A 2 11.369 -6.817 -12.736 1.00 18.45 C ATOM 11 C GLU A 2 10.614 -6.206 -11.547 1.00 11.67 C ATOM 12 O GLU A 2 10.894 -5.075 -11.164 1.00 15.98 O ATOM 13 CB GLU A 2 12.808 -7.169 -12.340 1.00 28.06 C ATOM 14 CG GLU A 2 12.962 -8.254 -11.311 1.00 28.11 C ATOM 15 CD GLU A 2 14.430 -8.537 -10.965 1.00 27.14 C ATOM 16 OE1 GLU A 2 15.225 -7.575 -10.779 1.00 22.10 O ATOM 17 OE2 GLU A 2 14.783 -9.732 -10.883 1.00 21.99 O ATOM 18 H GLU A 2 12.324 -5.493 -14.157 1.00 0.00 H ATOM 19 N THR A 3 9.650 -6.923 -10.967 1.00 9.37 N ATOM 20 CA THR A 3 8.952 -6.412 -9.767 1.00 9.40 C ATOM 21 C THR A 3 9.838 -6.520 -8.531 1.00 8.87 C ATOM 22 O THR A 3 10.803 -7.267 -8.508 1.00 9.43 O ATOM 23 CB THR A 3 7.658 -7.172 -9.451 1.00 9.89 C ATOM 24 OG1 THR A 3 7.989 -8.528 -9.094 1.00 9.00 O ATOM 25 CG2 THR A 3 6.679 -7.159 -10.636 1.00 11.21 C ATOM 26 HG1 THR A 3 7.158 -9.026 -8.888 1.00 0.00 H ATOM 27 H THR A 3 9.387 -7.849 -11.362 1.00 0.00 H ATOM 28 N ALA A 4 9.498 -5.749 -7.503 1.00 9.81 N ATOM 29 CA ALA A 4 10.271 -5.779 -6.279 1.00 8.13 C ATOM 30 C ALA A 4 10.263 -7.161 -5.638 1.00 6.78 C ATOM 31 O ALA A 4 11.296 -7.629 -5.118 1.00 7.64 O ATOM 32 CB ALA A 4 9.746 -4.769 -5.333 1.00 14.06 C ATOM 33 H ALA A 4 8.672 -5.121 -7.578 1.00 0.00 H ATOM 34 N ALA A 5 9.117 -7.828 -5.689 1.00 8.73 N ATOM 35 CA ALA A 5 9.034 -9.179 -5.142 1.00 7.61 C ATOM 36 C ALA A 5 9.927 -10.161 -5.917 1.00 6.26 C ATOM 37 O ALA A 5 10.573 -11.040 -5.337 1.00 6.29 O ATOM 38 CB ALA A 5 7.627 -9.657 -5.168 1.00 8.43 C ATOM 39 H ALA A 5 8.278 -7.388 -6.119 1.00 0.00 H ATOM 40 N ALA A 6 9.927 -10.058 -7.241 1.00 6.27 N ATOM 41 CA ALA A 6 10.769 -10.906 -8.076 1.00 7.01 C ATOM 42 C ALA A 6 12.253 -10.666 -7.813 1.00 5.35 C ATOM 43 O ALA A 6 13.049 -11.606 -7.778 1.00 8.16 O ATOM 44 CB ALA A 6 10.463 -10.672 -9.546 1.00 8.19 C ATOM 45 H ALA A 6 9.310 -9.354 -7.694 1.00 0.00 H ATOM 46 N LYS A 7 12.631 -9.406 -7.620 1.00 6.17 N ATOM 47 CA LYS A 7 14.014 -9.065 -7.325 1.00 6.60 C ATOM 48 C LYS A 7 14.443 -9.677 -5.982 1.00 6.02 C ATOM 49 O LYS A 7 15.553 -10.157 -5.844 1.00 6.66 O ATOM 50 CB LYS A 7 14.220 -7.556 -7.300 1.00 11.19 C ATOM 51 CG LYS A 7 15.621 -7.171 -6.891 1.00 14.94 C ATOM 52 CD LYS A 7 15.913 -5.735 -7.256 1.00 18.40 C ATOM 53 CE LYS A 7 17.295 -5.298 -6.768 1.00 27.95 C ATOM 54 NZ LYS A 7 17.707 -4.002 -7.392 1.00 40.65 N ATOM 55 HZ1 LYS A 7 17.740 -4.111 -8.426 1.00 0.00 H ATOM 56 HZ2 LYS A 7 17.018 -3.264 -7.142 1.00 0.00 H ATOM 57 HZ3 LYS A 7 18.648 -3.733 -7.041 1.00 0.00 H ATOM 58 H LYS A 7 11.922 -8.647 -7.681 1.00 0.00 H ATOM 59 N PHE A 8 13.554 -9.657 -5.002 1.00 6.21 N ATOM 60 CA PHE A 8 13.865 -10.289 -3.730 1.00 6.03 C ATOM 61 C PHE A 8 14.147 -11.774 -3.932 1.00 5.32 C ATOM 62 O PHE A 8 15.087 -12.315 -3.345 1.00 5.79 O ATOM 63 CB PHE A 8 12.737 -10.079 -2.706 1.00 6.23 C ATOM 64 CG PHE A 8 12.970 -10.791 -1.406 1.00 5.14 C ATOM 65 CD1 PHE A 8 12.656 -12.136 -1.273 1.00 5.68 C ATOM 66 CD2 PHE A 8 13.508 -10.136 -0.332 1.00 5.64 C ATOM 67 CE1 PHE A 8 12.881 -12.818 -0.097 1.00 5.60 C ATOM 68 CE2 PHE A 8 13.719 -10.827 0.860 1.00 5.64 C ATOM 69 CZ PHE A 8 13.399 -12.177 0.962 1.00 5.47 C ATOM 70 H PHE A 8 12.635 -9.190 -5.141 1.00 0.00 H ATOM 71 N GLU A 9 13.308 -12.470 -4.698 1.00 5.23 N ATOM 72 CA GLU A 9 13.538 -13.901 -4.921 1.00 4.72 C ATOM 73 C GLU A 9 14.878 -14.143 -5.634 1.00 4.93 C ATOM 74 O GLU A 9 15.605 -15.053 -5.250 1.00 6.29 O ATOM 75 CB GLU A 9 12.385 -14.518 -5.718 1.00 5.90 C ATOM 76 CG GLU A 9 11.043 -14.589 -4.993 1.00 7.19 C ATOM 77 CD GLU A 9 9.950 -15.335 -5.770 1.00 8.97 C ATOM 78 OE1 GLU A 9 8.773 -14.870 -5.774 1.00 12.07 O ATOM 79 OE2 GLU A 9 10.259 -16.411 -6.319 1.00 10.50 O ATOM 80 H GLU A 9 12.491 -11.999 -5.137 1.00 0.00 H ATOM 81 N ARG A 10 15.198 -13.360 -6.662 1.00 5.76 N ATOM 82 CA ARG A 10 16.462 -13.529 -7.384 1.00 6.12 C ATOM 83 C ARG A 10 17.660 -13.278 -6.500 1.00 6.92 C ATOM 84 O ARG A 10 18.678 -13.994 -6.569 1.00 7.66 O ATOM 85 CB ARG A 10 16.511 -12.584 -8.593 1.00 7.96 C ATOM 86 CG ARG A 10 17.886 -12.571 -9.309 1.00 11.96 C ATOM 87 CD ARG A 10 17.876 -11.741 -10.589 1.00 14.13 C ATOM 88 NE ARG A 10 17.495 -10.352 -10.379 1.00 15.22 N ATOM 89 CZ ARG A 10 18.279 -9.407 -9.876 1.00 14.64 C ATOM 90 NH1 ARG A 10 19.514 -9.677 -9.487 1.00 21.26 N ATOM 91 NH2 ARG A 10 17.821 -8.169 -9.745 1.00 17.72 N ATOM 92 HE ARG A 10 16.528 -10.077 -10.645 1.00 0.00 H ATOM 93 HH12 ARG A 10 20.113 -8.922 -9.095 1.00 0.00 H ATOM 94 HH11 ARG A 10 19.886 -10.644 -9.573 1.00 0.00 H ATOM 95 HH22 ARG A 10 18.434 -7.427 -9.351 1.00 0.00 H ATOM 96 HH21 ARG A 10 16.849 -7.941 -10.036 1.00 0.00 H ATOM 97 H ARG A 10 14.538 -12.613 -6.959 1.00 0.00 H ATOM 98 N GLN A 11 17.574 -12.216 -5.717 1.00 5.76 N ATOM 99 CA GLN A 11 18.666 -11.825 -4.850 1.00 5.95 C ATOM 100 C GLN A 11 18.850 -12.704 -3.605 1.00 7.84 C ATOM 101 O GLN A 11 19.982 -12.884 -3.145 1.00 10.24 O ATOM 102 CB GLN A 11 18.501 -10.383 -4.356 1.00 7.57 C ATOM 103 CG GLN A 11 18.641 -9.300 -5.400 1.00 10.14 C ATOM 104 CD GLN A 11 18.908 -7.971 -4.760 1.00 15.43 C ATOM 105 OE1 GLN A 11 19.904 -7.313 -5.061 1.00 16.88 O ATOM 106 NE2 GLN A 11 18.036 -7.568 -3.843 1.00 11.83 N ATOM 107 HE22 GLN A 11 17.208 -8.156 -3.619 1.00 0.00 H ATOM 108 HE21 GLN A 11 18.182 -6.665 -3.348 1.00 0.00 H ATOM 109 H GLN A 11 16.702 -11.649 -5.724 1.00 0.00 H ATOM 110 N HIS A 12 17.758 -13.240 -3.053 1.00 5.87 N ATOM 111 CA HIS A 12 17.796 -13.793 -1.697 1.00 5.70 C ATOM 112 C HIS A 12 17.298 -15.215 -1.498 1.00 6.99 C ATOM 113 O HIS A 12 17.412 -15.714 -0.383 1.00 10.35 O ATOM 114 CB HIS A 12 17.002 -12.890 -0.766 1.00 3.80 C ATOM 115 CG HIS A 12 17.525 -11.504 -0.699 1.00 4.62 C ATOM 116 ND1 HIS A 12 18.788 -11.233 -0.219 1.00 6.69 N ATOM 117 CD2 HIS A 12 16.972 -10.311 -1.019 1.00 5.45 C ATOM 118 CE1 HIS A 12 18.999 -9.928 -0.264 1.00 8.35 C ATOM 119 NE2 HIS A 12 17.912 -9.344 -0.747 1.00 7.55 N ATOM 120 H HIS A 12 16.869 -13.265 -3.593 1.00 0.00 H ATOM 121 N MET A 13 16.734 -15.859 -2.513 1.00 7.10 N ATOM 122 CA MET A 13 16.198 -17.224 -2.339 1.00 6.79 C ATOM 123 C MET A 13 17.066 -18.289 -3.012 1.00 8.11 C ATOM 124 O MET A 13 17.341 -18.178 -4.198 1.00 8.83 O ATOM 125 CB MET A 13 14.773 -17.318 -2.918 1.00 7.75 C ATOM 126 CG MET A 13 13.765 -16.491 -2.156 1.00 7.16 C ATOM 127 SD MET A 13 13.490 -16.999 -0.447 1.00 11.35 S ATOM 128 CE MET A 13 13.164 -18.737 -0.658 1.00 11.34 C ATOM 129 H MET A 13 16.669 -15.396 -3.442 1.00 0.00 H ATOM 130 N ASP A 14 17.454 -19.341 -2.287 1.00 6.17 N ATOM 131 CA ASP A 14 18.043 -20.508 -2.924 1.00 6.41 C ATOM 132 C ASP A 14 17.622 -21.750 -2.180 1.00 5.47 C ATOM 133 O ASP A 14 18.329 -22.238 -1.292 1.00 6.62 O ATOM 134 CB ASP A 14 19.577 -20.426 -3.003 1.00 7.12 C ATOM 135 CG ASP A 14 20.190 -21.622 -3.740 1.00 6.99 C ATOM 136 OD1 ASP A 14 19.407 -22.388 -4.359 1.00 9.37 O ATOM 137 OD2 ASP A 14 21.425 -21.796 -3.686 1.00 8.29 O ATOM 138 H ASP A 14 17.333 -19.326 -1.254 1.00 0.00 H ATOM 139 N SER A 15 16.464 -22.294 -2.536 1.00 7.38 N ATOM 140 CA SER A 15 15.983 -23.515 -1.898 1.00 8.42 C ATOM 141 C SER A 15 16.462 -24.771 -2.627 1.00 9.47 C ATOM 142 O SER A 15 15.982 -25.871 -2.354 1.00 10.27 O ATOM 143 CB SER A 15 14.457 -23.503 -1.832 1.00 10.83 C ATOM 144 OG SER A 15 13.911 -23.462 -3.136 1.00 10.86 O ATOM 145 HG SER A 15 12.923 -23.455 -3.079 1.00 0.00 H ATOM 146 H SER A 15 15.892 -21.844 -3.279 1.00 0.00 H ATOM 147 N SER A 16 17.427 -24.630 -3.528 1.00 7.35 N ATOM 148 CA SER A 16 17.999 -25.805 -4.218 1.00 5.29 C ATOM 149 C SER A 16 18.981 -26.606 -3.363 1.00 8.27 C ATOM 150 O SER A 16 19.470 -27.661 -3.788 1.00 8.78 O ATOM 151 CB SER A 16 18.710 -25.397 -5.503 1.00 8.35 C ATOM 152 OG SER A 16 20.007 -24.881 -5.226 1.00 8.81 O ATOM 153 HG SER A 16 19.927 -24.087 -4.641 1.00 0.00 H ATOM 154 H SER A 16 17.785 -23.680 -3.751 1.00 0.00 H ATOM 155 N THR A 17 19.281 -26.091 -2.171 1.00 8.56 N ATOM 156 CA THR A 17 20.275 -26.679 -1.283 1.00 7.44 C ATOM 157 C THR A 17 19.833 -26.370 0.147 1.00 7.98 C ATOM 158 O THR A 17 19.151 -25.372 0.364 1.00 10.05 O ATOM 159 CB THR A 17 21.700 -26.132 -1.616 1.00 11.12 C ATOM 160 OG1 THR A 17 22.709 -26.854 -0.885 1.00 7.87 O ATOM 161 CG2 THR A 17 21.827 -24.631 -1.345 1.00 11.74 C ATOM 162 HG1 THR A 17 22.547 -26.753 0.086 1.00 0.00 H ATOM 163 H THR A 17 18.784 -25.232 -1.861 1.00 0.00 H ATOM 164 N SER A 18 20.179 -27.226 1.114 1.00 7.50 N ATOM 165 CA SER A 18 19.825 -26.975 2.524 1.00 7.33 C ATOM 166 C SER A 18 20.776 -25.995 3.207 1.00 6.68 C ATOM 167 O SER A 18 20.418 -25.380 4.211 1.00 8.62 O ATOM 168 CB SER A 18 19.829 -28.271 3.331 1.00 10.02 C ATOM 169 OG SER A 18 18.843 -29.192 2.888 1.00 14.35 O ATOM 170 HG SER A 18 18.887 -30.012 3.441 1.00 0.00 H ATOM 171 H SER A 18 20.709 -28.086 0.867 1.00 0.00 H ATOM 172 N ALA A 19 21.992 -25.883 2.677 1.00 7.34 N ATOM 173 CA ALA A 19 23.034 -24.981 3.145 1.00 7.88 C ATOM 174 C ALA A 19 24.069 -24.850 2.036 1.00 8.59 C ATOM 175 O ALA A 19 24.124 -25.681 1.114 1.00 8.68 O ATOM 176 CB ALA A 19 23.669 -25.509 4.410 1.00 8.77 C ATOM 177 H ALA A 19 22.216 -26.489 1.862 1.00 0.00 H ATOM 178 N ALA A 20 24.917 -23.832 2.130 1.00 7.83 N ATOM 179 CA ALA A 20 25.988 -23.651 1.162 1.00 5.49 C ATOM 180 C ALA A 20 26.945 -24.834 1.190 1.00 10.02 C ATOM 181 O ALA A 20 27.459 -25.206 2.240 1.00 12.34 O ATOM 182 CB ALA A 20 26.722 -22.359 1.431 1.00 9.87 C ATOM 183 H ALA A 20 24.814 -23.152 2.910 1.00 0.00 H ATOM 184 N SER A 21 27.176 -25.421 0.018 1.00 7.49 N ATOM 185 CA SER A 21 27.974 -26.634 -0.087 1.00 7.99 C ATOM 186 C SER A 21 29.465 -26.374 -0.208 1.00 13.19 C ATOM 187 O SER A 21 30.257 -27.310 -0.122 1.00 20.51 O ATOM 188 CB SER A 21 27.527 -27.454 -1.295 1.00 10.47 C ATOM 189 OG SER A 21 27.805 -26.757 -2.495 1.00 10.18 O ATOM 190 HG SER A 21 27.510 -27.301 -3.267 1.00 0.00 H ATOM 191 H SER A 21 26.776 -25.002 -0.846 1.00 0.00 H ATOM 192 N SER A 22 29.860 -25.130 -0.419 1.00 10.12 N ATOM 193 CA SER A 22 31.250 -24.779 -0.691 1.00 11.72 C ATOM 194 C SER A 22 31.551 -23.395 -0.163 1.00 12.12 C ATOM 195 O SER A 22 30.665 -22.560 -0.145 1.00 11.03 O ATOM 196 CB SER A 22 31.509 -24.798 -2.196 1.00 14.75 C ATOM 197 OG SER A 22 32.739 -24.183 -2.514 1.00 21.23 O ATOM 198 HG SER A 22 32.877 -24.211 -3.494 1.00 0.00 H ATOM 199 H SER A 22 29.151 -24.370 -0.390 1.00 0.00 H ATOM 200 N SER A 23 32.796 -23.139 0.231 1.00 14.42 N ATOM 201 CA SER A 23 33.225 -21.775 0.533 1.00 11.49 C ATOM 202 C SER A 23 33.177 -20.823 -0.669 1.00 15.32 C ATOM 203 O SER A 23 33.208 -19.587 -0.510 1.00 15.72 O ATOM 204 CB SER A 23 34.645 -21.794 1.125 1.00 23.65 C ATOM 205 OG SER A 23 35.590 -22.285 0.196 1.00 32.81 O ATOM 206 HG SER A 23 36.489 -22.283 0.610 1.00 0.00 H ATOM 207 H SER A 23 33.474 -23.922 0.325 1.00 0.00 H ATOM 208 N ASN A 24 33.130 -21.376 -1.877 1.00 10.99 N ATOM 209 CA ASN A 24 33.061 -20.609 -3.112 1.00 12.97 C ATOM 210 C ASN A 24 31.618 -20.234 -3.472 1.00 8.39 C ATOM 211 O ASN A 24 31.354 -19.654 -4.525 1.00 10.89 O ATOM 212 CB ASN A 24 33.686 -21.430 -4.249 1.00 13.75 C ATOM 213 CG ASN A 24 34.135 -20.583 -5.434 1.00 21.91 C ATOM 214 OD1 ASN A 24 34.567 -19.447 -5.279 1.00 30.88 O ATOM 215 ND2 ASN A 24 34.055 -21.157 -6.624 1.00 38.08 N ATOM 216 HD22 ASN A 24 33.682 -22.124 -6.711 1.00 0.00 H ATOM 217 HD21 ASN A 24 34.365 -20.641 -7.472 1.00 0.00 H ATOM 218 H ASN A 24 33.143 -22.414 -1.943 1.00 0.00 H ATOM 219 N TYR A 25 30.682 -20.618 -2.603 1.00 8.65 N ATOM 220 CA TYR A 25 29.263 -20.431 -2.897 1.00 8.66 C ATOM 221 C TYR A 25 28.982 -18.981 -3.244 1.00 8.40 C ATOM 222 O TYR A 25 28.338 -18.687 -4.242 1.00 9.13 O ATOM 223 CB TYR A 25 28.404 -20.882 -1.696 1.00 7.25 C ATOM 224 CG TYR A 25 26.920 -20.663 -1.864 1.00 6.68 C ATOM 225 CD1 TYR A 25 26.346 -19.432 -1.556 1.00 7.20 C ATOM 226 CD2 TYR A 25 26.080 -21.682 -2.313 1.00 5.54 C ATOM 227 CE1 TYR A 25 24.992 -19.216 -1.697 1.00 6.65 C ATOM 228 CE2 TYR A 25 24.687 -21.470 -2.449 1.00 8.91 C ATOM 229 CZ TYR A 25 24.164 -20.240 -2.144 1.00 6.49 C ATOM 230 OH TYR A 25 22.812 -20.002 -2.288 1.00 7.24 O ATOM 231 HH TYR A 25 22.552 -20.142 -3.233 1.00 0.00 H ATOM 232 H TYR A 25 30.966 -21.057 -1.704 1.00 0.00 H ATOM 233 N CYS A 26 29.441 -18.052 -2.414 1.00 6.38 N ATOM 234 CA CYS A 26 29.097 -16.649 -2.635 1.00 6.64 C ATOM 235 C CYS A 26 29.723 -16.103 -3.901 1.00 8.67 C ATOM 236 O CYS A 26 29.075 -15.374 -4.636 1.00 9.51 O ATOM 237 CB CYS A 26 29.485 -15.781 -1.435 1.00 9.55 C ATOM 238 SG CYS A 26 28.468 -16.132 0.038 1.00 10.34 S ATOM 239 H CYS A 26 30.043 -18.322 -1.610 1.00 0.00 H ATOM 240 N ASN A 27 30.974 -16.447 -4.177 1.00 7.86 N ATOM 241 CA ASN A 27 31.586 -15.975 -5.406 1.00 11.67 C ATOM 242 C ASN A 27 30.789 -16.422 -6.621 1.00 10.97 C ATOM 243 O ASN A 27 30.565 -15.628 -7.546 1.00 13.44 O ATOM 244 CB ASN A 27 33.026 -16.473 -5.513 1.00 10.94 C ATOM 245 CG ASN A 27 33.976 -15.778 -4.549 1.00 17.84 C ATOM 246 OD1 ASN A 27 33.754 -14.644 -4.155 1.00 13.45 O ATOM 247 ND2 ASN A 27 35.042 -16.476 -4.155 1.00 25.56 N ATOM 248 HD22 ASN A 27 35.194 -17.440 -4.515 1.00 0.00 H ATOM 249 HD21 ASN A 27 35.721 -16.056 -3.488 1.00 0.00 H ATOM 250 H ASN A 27 31.511 -17.048 -3.520 1.00 0.00 H ATOM 251 N GLN A 28 30.336 -17.677 -6.616 1.00 8.54 N ATOM 252 CA GLN A 28 29.606 -18.199 -7.761 1.00 12.07 C ATOM 253 C GLN A 28 28.164 -17.669 -7.847 1.00 10.31 C ATOM 254 O GLN A 28 27.685 -17.277 -8.917 1.00 11.98 O ATOM 255 CB GLN A 28 29.652 -19.724 -7.710 1.00 10.89 C ATOM 256 CG GLN A 28 31.086 -20.224 -7.928 1.00 15.64 C ATOM 257 CD GLN A 28 31.201 -21.658 -8.393 1.00 17.41 C ATOM 258 OE1 GLN A 28 30.491 -22.548 -7.938 1.00 14.28 O ATOM 259 NE2 GLN A 28 32.123 -21.887 -9.309 1.00 23.31 N ATOM 260 HE22 GLN A 28 32.704 -21.103 -9.669 1.00 0.00 H ATOM 261 HE21 GLN A 28 32.268 -22.851 -9.671 1.00 0.00 H ATOM 262 H GLN A 28 30.506 -18.285 -5.789 1.00 0.00 H ATOM 263 N MET A 29 27.476 -17.597 -6.716 1.00 8.35 N ATOM 264 CA MET A 29 26.094 -17.181 -6.708 1.00 9.58 C ATOM 265 C MET A 29 25.873 -15.680 -6.838 1.00 9.31 C ATOM 266 O MET A 29 24.892 -15.221 -7.442 1.00 9.78 O ATOM 267 CB MET A 29 25.425 -17.688 -5.433 1.00 10.86 C ATOM 268 CG MET A 29 25.238 -19.177 -5.435 1.00 10.51 C ATOM 269 SD MET A 29 23.983 -19.681 -6.639 1.00 17.72 S ATOM 270 CE MET A 29 22.516 -19.049 -5.887 1.00 18.86 C ATOM 271 H MET A 29 27.940 -17.845 -5.819 1.00 0.00 H ATOM 272 N MET A 30 26.786 -14.886 -6.298 1.00 8.53 N ATOM 273 CA MET A 30 26.666 -13.454 -6.459 1.00 7.89 C ATOM 274 C MET A 30 26.750 -13.114 -7.945 1.00 14.82 C ATOM 275 O MET A 30 26.064 -12.194 -8.422 1.00 13.11 O ATOM 276 CB MET A 30 27.745 -12.714 -5.663 1.00 9.13 C ATOM 277 CG MET A 30 27.565 -12.793 -4.147 1.00 7.55 C ATOM 278 SD MET A 30 26.042 -12.003 -3.550 1.00 11.11 S ATOM 279 CE MET A 30 26.471 -10.268 -3.640 1.00 12.03 C ATOM 280 H MET A 30 27.582 -15.289 -5.763 1.00 0.00 H ATOM 281 N LYS A 31 27.575 -13.869 -8.670 1.00 12.21 N ATOM 282 CA LYS A 31 27.740 -13.654 -10.105 1.00 16.96 C ATOM 283 C LYS A 31 26.535 -14.207 -10.866 1.00 13.85 C ATOM 284 O LYS A 31 25.946 -13.504 -11.691 1.00 19.06 O ATOM 285 CB LYS A 31 29.048 -14.290 -10.599 1.00 15.30 C ATOM 286 CG LYS A 31 29.359 -14.028 -12.067 1.00 27.79 C ATOM 287 CD LYS A 31 30.667 -14.692 -12.473 1.00 34.93 C ATOM 288 H LYS A 31 28.113 -14.627 -8.204 1.00 0.00 H ATOM 289 N SER A 32 26.134 -15.437 -10.571 1.00 13.49 N ATOM 290 CA SER A 32 25.068 -16.060 -11.349 1.00 15.99 C ATOM 291 C SER A 32 23.684 -15.449 -11.125 1.00 15.56 C ATOM 292 O SER A 32 22.840 -15.519 -12.016 1.00 18.16 O ATOM 293 CB SER A 32 25.016 -17.544 -11.050 1.00 16.22 C ATOM 294 OG SER A 32 24.601 -17.759 -9.722 1.00 11.43 O ATOM 295 HG SER A 32 25.241 -17.326 -9.103 1.00 0.00 H ATOM 296 H SER A 32 26.578 -15.956 -9.787 1.00 0.00 H ATOM 297 N ARG A 33 23.445 -14.833 -9.975 1.00 12.20 N ATOM 298 CA ARG A 33 22.188 -14.130 -9.737 1.00 11.34 C ATOM 299 C ARG A 33 22.282 -12.639 -10.129 1.00 15.58 C ATOM 300 O ARG A 33 21.418 -11.828 -9.761 1.00 18.85 O ATOM 301 CB ARG A 33 21.767 -14.276 -8.266 1.00 12.85 C ATOM 302 CG ARG A 33 21.443 -15.697 -7.850 1.00 11.71 C ATOM 303 CD ARG A 33 20.233 -16.249 -8.597 1.00 9.35 C ATOM 304 NE ARG A 33 19.856 -17.574 -8.100 1.00 9.17 N ATOM 305 CZ ARG A 33 19.150 -17.783 -6.992 1.00 11.30 C ATOM 306 NH1 ARG A 33 18.668 -16.751 -6.297 1.00 10.29 N ATOM 307 NH2 ARG A 33 18.870 -19.020 -6.606 1.00 11.93 N ATOM 308 HE ARG A 33 20.159 -18.404 -8.648 1.00 0.00 H ATOM 309 HH12 ARG A 33 18.117 -16.919 -5.431 1.00 0.00 H ATOM 310 HH11 ARG A 33 18.844 -15.778 -6.621 1.00 0.00 H ATOM 311 HH22 ARG A 33 18.318 -19.182 -5.740 1.00 0.00 H ATOM 312 HH21 ARG A 33 19.202 -19.828 -7.170 1.00 0.00 H ATOM 313 H ARG A 33 24.168 -14.851 -9.228 1.00 0.00 H ATOM 314 N ASN A 34 23.336 -12.281 -10.864 1.00 14.69 N ATOM 315 CA ASN A 34 23.523 -10.914 -11.380 1.00 18.69 C ATOM 316 C ASN A 34 23.647 -9.816 -10.342 1.00 19.41 C ATOM 317 O ASN A 34 23.283 -8.675 -10.601 1.00 24.30 O ATOM 318 CB ASN A 34 22.367 -10.547 -12.307 1.00 29.03 C ATOM 319 CG ASN A 34 22.174 -11.551 -13.415 1.00 37.56 C ATOM 320 OD1 ASN A 34 23.127 -12.197 -13.856 1.00 36.45 O ATOM 321 ND2 ASN A 34 20.936 -11.690 -13.878 1.00 50.18 N ATOM 322 HD22 ASN A 34 20.163 -11.123 -13.475 1.00 0.00 H ATOM 323 HD21 ASN A 34 20.740 -12.366 -14.644 1.00 0.00 H ATOM 324 H ASN A 34 24.057 -12.998 -11.082 1.00 0.00 H ATOM 325 N LEU A 35 24.166 -10.138 -9.166 1.00 12.62 N ATOM 326 CA LEU A 35 24.340 -9.144 -8.128 1.00 13.97 C ATOM 327 C LEU A 35 25.669 -8.417 -8.302 1.00 20.57 C ATOM 328 O LEU A 35 25.982 -7.505 -7.544 1.00 27.70 O ATOM 329 CB LEU A 35 24.259 -9.796 -6.753 1.00 19.75 C ATOM 330 CG LEU A 35 23.012 -10.690 -6.577 1.00 26.18 C ATOM 331 CD1 LEU A 35 22.788 -11.071 -5.134 1.00 26.38 C ATOM 332 CD2 LEU A 35 21.758 -10.041 -7.137 1.00 34.13 C ATOM 333 H LEU A 35 24.453 -11.121 -8.986 1.00 0.00 H ATOM 334 N THR A 36 26.445 -8.819 -9.302 1.00 16.79 N ATOM 335 CA THR A 36 27.745 -8.178 -9.555 1.00 16.75 C ATOM 336 C THR A 36 27.805 -7.600 -10.965 1.00 20.45 C ATOM 337 O THR A 36 28.890 -7.387 -11.504 1.00 17.59 O ATOM 338 CB THR A 36 28.924 -9.159 -9.371 1.00 16.54 C ATOM 339 OG1 THR A 36 28.896 -10.195 -10.362 1.00 21.69 O ATOM 340 CG2 THR A 36 28.917 -9.789 -7.972 1.00 17.51 C ATOM 341 HG1 THR A 36 29.661 -10.807 -10.220 1.00 0.00 H ATOM 342 H THR A 36 26.129 -9.598 -9.915 1.00 0.00 H ATOM 343 N LYS A 37 26.640 -7.316 -11.532 1.00 22.38 N ATOM 344 CA LYS A 37 26.533 -6.922 -12.934 1.00 24.61 C ATOM 345 C LYS A 37 27.277 -5.629 -13.239 1.00 21.97 C ATOM 346 O LYS A 37 28.173 -5.606 -14.093 1.00 26.18 O ATOM 347 CB LYS A 37 25.057 -6.775 -13.315 1.00 29.01 C ATOM 348 CG LYS A 37 24.820 -6.198 -14.694 1.00 37.18 C ATOM 349 H LYS A 37 25.774 -7.376 -10.959 1.00 0.00 H ATOM 350 N ASP A 38 26.901 -4.558 -12.550 1.00 21.81 N ATOM 351 CA ASP A 38 27.493 -3.243 -12.783 1.00 24.94 C ATOM 352 C ASP A 38 28.536 -2.885 -11.743 1.00 35.09 C ATOM 353 O ASP A 38 29.445 -2.098 -12.004 1.00 27.42 O ATOM 354 CB ASP A 38 26.410 -2.165 -12.781 1.00 32.50 C ATOM 355 CG ASP A 38 25.239 -2.516 -13.674 1.00 43.96 C ATOM 356 OD1 ASP A 38 25.442 -3.249 -14.664 1.00 47.98 O ATOM 357 OD2 ASP A 38 24.114 -2.061 -13.385 1.00 46.58 O ATOM 358 H ASP A 38 26.164 -4.658 -11.823 1.00 0.00 H ATOM 359 N ARG A 39 28.375 -3.447 -10.551 1.00 24.45 N ATOM 360 CA ARG A 39 29.304 -3.222 -9.456 1.00 24.54 C ATOM 361 C ARG A 39 29.157 -4.366 -8.475 1.00 17.82 C ATOM 362 O ARG A 39 28.206 -5.140 -8.555 1.00 19.69 O ATOM 363 CB ARG A 39 29.035 -1.889 -8.770 1.00 30.39 C ATOM 364 CG ARG A 39 27.645 -1.766 -8.196 1.00 27.58 C ATOM 365 CD ARG A 39 27.397 -0.355 -7.654 1.00 43.11 C ATOM 366 NE ARG A 39 27.556 0.678 -8.676 1.00 46.53 N ATOM 367 HE ARG A 39 27.812 0.412 -9.648 1.00 0.00 H ATOM 368 H ARG A 39 27.556 -4.069 -10.395 1.00 0.00 H ATOM 369 N CYS A 40 30.098 -4.467 -7.552 1.00 15.58 N ATOM 370 CA CYS A 40 30.063 -5.524 -6.552 1.00 16.54 C ATOM 371 C CYS A 40 29.116 -5.151 -5.427 1.00 16.18 C ATOM 372 O CYS A 40 29.391 -4.218 -4.688 1.00 22.39 O ATOM 373 CB CYS A 40 31.458 -5.768 -5.969 1.00 14.66 C ATOM 374 SG CYS A 40 32.782 -6.113 -7.160 1.00 17.89 S ATOM 375 H CYS A 40 30.878 -3.779 -7.540 1.00 0.00 H ATOM 376 N LYS A 41 28.009 -5.859 -5.274 1.00 16.63 N ATOM 377 CA LYS A 41 27.167 -5.605 -4.122 1.00 15.84 C ATOM 378 C LYS A 41 27.923 -6.037 -2.868 1.00 14.47 C ATOM 379 O LYS A 41 28.427 -7.165 -2.785 1.00 14.14 O ATOM 380 CB LYS A 41 25.832 -6.325 -4.231 1.00 17.73 C ATOM 381 CG LYS A 41 24.819 -5.751 -3.285 1.00 17.49 C ATOM 382 CD LYS A 41 23.452 -6.323 -3.506 1.00 18.44 C ATOM 383 CE LYS A 41 22.514 -5.766 -2.462 1.00 20.57 C ATOM 384 NZ LYS A 41 21.092 -6.000 -2.786 1.00 17.57 N ATOM 385 HZ1 LYS A 41 20.865 -5.545 -3.693 1.00 0.00 H ATOM 386 HZ2 LYS A 41 20.918 -7.023 -2.857 1.00 0.00 H ATOM 387 HZ3 LYS A 41 20.496 -5.597 -2.035 1.00 0.00 H ATOM 388 H LYS A 41 27.747 -6.586 -5.970 1.00 0.00 H ATOM 389 N PRO A 42 28.020 -5.133 -1.875 1.00 12.98 N ATOM 390 CA PRO A 42 28.952 -5.466 -0.796 1.00 13.59 C ATOM 391 C PRO A 42 28.479 -6.495 0.220 1.00 11.85 C ATOM 392 O PRO A 42 29.325 -7.055 0.913 1.00 12.05 O ATOM 393 CB PRO A 42 29.192 -4.118 -0.111 1.00 20.37 C ATOM 394 CG PRO A 42 28.038 -3.292 -0.441 1.00 25.67 C ATOM 395 CD PRO A 42 27.545 -3.737 -1.787 1.00 17.08 C ATOM 396 N VAL A 43 27.170 -6.701 0.346 1.00 10.51 N ATOM 397 CA VAL A 43 26.651 -7.715 1.253 1.00 10.69 C ATOM 398 C VAL A 43 25.380 -8.298 0.660 1.00 8.78 C ATOM 399 O VAL A 43 24.647 -7.620 -0.057 1.00 11.34 O ATOM 400 CB VAL A 43 26.379 -7.148 2.661 1.00 14.17 C ATOM 401 CG1 VAL A 43 25.176 -6.214 2.654 1.00 8.10 C ATOM 402 CG2 VAL A 43 26.186 -8.272 3.659 1.00 21.49 C ATOM 403 H VAL A 43 26.506 -6.128 -0.213 1.00 0.00 H ATOM 404 N ASN A 44 25.157 -9.587 0.923 1.00 9.60 N ATOM 405 CA ASN A 44 23.943 -10.263 0.484 1.00 7.25 C ATOM 406 C ASN A 44 23.719 -11.536 1.286 1.00 9.65 C ATOM 407 O ASN A 44 24.659 -12.219 1.652 1.00 18.13 O ATOM 408 CB ASN A 44 23.982 -10.613 -0.992 1.00 7.39 C ATOM 409 CG ASN A 44 22.612 -10.999 -1.524 1.00 10.59 C ATOM 410 OD1 ASN A 44 21.685 -10.215 -1.438 1.00 16.89 O ATOM 411 ND2 ASN A 44 22.479 -12.185 -2.048 1.00 8.76 N ATOM 412 HD22 ASN A 44 23.297 -12.824 -2.102 1.00 0.00 H ATOM 413 HD21 ASN A 44 21.554 -12.492 -2.412 1.00 0.00 H ATOM 414 H ASN A 44 25.870 -10.124 1.456 1.00 0.00 H ATOM 415 N THR A 45 22.459 -11.856 1.539 1.00 5.62 N ATOM 416 CA THR A 45 22.076 -13.066 2.211 1.00 5.39 C ATOM 417 C THR A 45 21.213 -13.914 1.272 1.00 5.11 C ATOM 418 O THR A 45 20.256 -13.407 0.640 1.00 6.93 O ATOM 419 CB THR A 45 21.269 -12.766 3.476 1.00 7.02 C ATOM 420 OG1 THR A 45 22.036 -11.898 4.318 1.00 11.54 O ATOM 421 CG2 THR A 45 20.917 -14.040 4.244 1.00 7.18 C ATOM 422 HG1 THR A 45 22.228 -11.056 3.834 1.00 0.00 H ATOM 423 H THR A 45 21.711 -11.200 1.237 1.00 0.00 H ATOM 424 N PHE A 46 21.522 -15.204 1.231 1.00 4.28 N ATOM 425 CA PHE A 46 20.677 -16.193 0.581 1.00 4.09 C ATOM 426 C PHE A 46 19.987 -17.048 1.635 1.00 6.66 C ATOM 427 O PHE A 46 20.603 -17.430 2.633 1.00 7.38 O ATOM 428 CB PHE A 46 21.486 -17.088 -0.371 1.00 5.64 C ATOM 429 CG PHE A 46 22.060 -16.365 -1.572 1.00 7.50 C ATOM 430 CD1 PHE A 46 21.275 -16.108 -2.675 1.00 8.73 C ATOM 431 CD2 PHE A 46 23.378 -15.903 -1.564 1.00 8.30 C ATOM 432 CE1 PHE A 46 21.796 -15.433 -3.787 1.00 9.78 C ATOM 433 CE2 PHE A 46 23.906 -15.236 -2.682 1.00 10.35 C ATOM 434 CZ PHE A 46 23.101 -14.995 -3.772 1.00 9.53 C ATOM 435 H PHE A 46 22.404 -15.520 1.682 1.00 0.00 H ATOM 436 N VAL A 47 18.709 -17.329 1.406 1.00 5.88 N ATOM 437 CA VAL A 47 17.892 -18.082 2.344 1.00 4.97 C ATOM 438 C VAL A 47 17.596 -19.445 1.750 1.00 5.63 C ATOM 439 O VAL A 47 17.067 -19.555 0.630 1.00 5.92 O ATOM 440 CB VAL A 47 16.555 -17.361 2.668 1.00 4.20 C ATOM 441 CG1 VAL A 47 15.780 -18.126 3.704 1.00 6.16 C ATOM 442 CG2 VAL A 47 16.815 -15.956 3.151 1.00 6.42 C ATOM 443 H VAL A 47 18.276 -16.997 0.521 1.00 0.00 H ATOM 444 N HIS A 48 17.911 -20.488 2.518 1.00 5.52 N ATOM 445 CA HIS A 48 17.729 -21.887 2.098 1.00 5.06 C ATOM 446 C HIS A 48 16.479 -22.473 2.766 1.00 8.47 C ATOM 447 O HIS A 48 16.542 -23.386 3.603 1.00 9.43 O ATOM 448 CB HIS A 48 18.974 -22.709 2.447 1.00 5.07 C ATOM 449 CG HIS A 48 20.245 -22.079 1.977 1.00 5.25 C ATOM 450 ND1 HIS A 48 20.497 -21.811 0.646 1.00 8.72 N ATOM 451 CD2 HIS A 48 21.301 -21.571 2.664 1.00 6.50 C ATOM 452 CE1 HIS A 48 21.672 -21.215 0.534 1.00 8.29 C ATOM 453 NE2 HIS A 48 22.177 -21.056 1.742 1.00 6.87 N ATOM 454 H HIS A 48 18.306 -20.304 3.462 1.00 0.00 H ATOM 455 N GLU A 49 15.348 -21.907 2.389 1.00 9.49 N ATOM 456 CA GLU A 49 14.033 -22.353 2.838 1.00 8.31 C ATOM 457 C GLU A 49 13.092 -22.266 1.664 1.00 10.13 C ATOM 458 O GLU A 49 13.411 -21.684 0.632 1.00 9.31 O ATOM 459 CB GLU A 49 13.532 -21.506 4.000 1.00 10.10 C ATOM 460 CG GLU A 49 14.477 -21.494 5.227 1.00 9.21 C ATOM 461 CD GLU A 49 14.606 -22.830 5.994 1.00 15.84 C ATOM 462 OE1 GLU A 49 13.777 -23.764 5.811 1.00 13.13 O ATOM 463 OE2 GLU A 49 15.556 -22.956 6.817 1.00 11.17 O ATOM 464 H GLU A 49 15.396 -21.099 1.736 1.00 0.00 H ATOM 465 N SER A 50 11.919 -22.855 1.807 1.00 8.43 N ATOM 466 CA SER A 50 10.947 -22.761 0.740 1.00 8.34 C ATOM 467 C SER A 50 10.434 -21.336 0.571 1.00 7.68 C ATOM 468 O SER A 50 10.357 -20.565 1.523 1.00 7.05 O ATOM 469 CB SER A 50 9.781 -23.691 1.016 1.00 10.17 C ATOM 470 OG SER A 50 8.947 -23.109 2.012 1.00 13.30 O ATOM 471 HG SER A 50 8.184 -23.713 2.196 1.00 0.00 H ATOM 472 H SER A 50 11.697 -23.380 2.677 1.00 0.00 H ATOM 473 N LEU A 51 10.062 -20.985 -0.650 1.00 8.74 N ATOM 474 CA LEU A 51 9.472 -19.670 -0.932 1.00 7.58 C ATOM 475 C LEU A 51 8.280 -19.388 -0.025 1.00 7.80 C ATOM 476 O LEU A 51 8.153 -18.287 0.526 1.00 9.09 O ATOM 477 CB LEU A 51 9.047 -19.585 -2.393 1.00 10.08 C ATOM 478 CG LEU A 51 8.367 -18.289 -2.801 1.00 11.48 C ATOM 479 CD1 LEU A 51 9.245 -17.093 -2.533 1.00 11.74 C ATOM 480 CD2 LEU A 51 8.019 -18.372 -4.267 1.00 12.09 C ATOM 481 H LEU A 51 10.191 -21.659 -1.431 1.00 0.00 H ATOM 482 N ALA A 52 7.412 -20.373 0.161 1.00 7.85 N ATOM 483 CA ALA A 52 6.243 -20.176 0.993 1.00 9.94 C ATOM 484 C ALA A 52 6.640 -19.839 2.437 1.00 11.03 C ATOM 485 O ALA A 52 5.994 -19.007 3.077 1.00 10.25 O ATOM 486 CB ALA A 52 5.366 -21.424 0.963 1.00 13.60 C ATOM 487 H ALA A 52 7.572 -21.294 -0.294 1.00 0.00 H ATOM 488 N ASP A 53 7.672 -20.498 2.960 1.00 7.86 N ATOM 489 CA ASP A 53 8.063 -20.242 4.344 1.00 9.48 C ATOM 490 C ASP A 53 8.633 -18.841 4.491 1.00 6.59 C ATOM 491 O ASP A 53 8.397 -18.184 5.520 1.00 10.13 O ATOM 492 CB ASP A 53 9.086 -21.257 4.849 1.00 9.10 C ATOM 493 CG ASP A 53 8.449 -22.574 5.302 1.00 16.98 C ATOM 494 OD1 ASP A 53 7.199 -22.671 5.347 1.00 20.43 O ATOM 495 OD2 ASP A 53 9.210 -23.508 5.652 1.00 24.31 O ATOM 496 H ASP A 53 8.196 -21.190 2.387 1.00 0.00 H ATOM 497 N VAL A 54 9.327 -18.332 3.473 1.00 6.38 N ATOM 498 CA VAL A 54 9.861 -16.975 3.555 1.00 5.83 C ATOM 499 C VAL A 54 8.757 -15.919 3.343 1.00 7.73 C ATOM 500 O VAL A 54 8.711 -14.935 4.057 1.00 6.08 O ATOM 501 CB VAL A 54 11.023 -16.780 2.570 1.00 5.56 C ATOM 502 CG1 VAL A 54 11.523 -15.356 2.587 1.00 8.67 C ATOM 503 CG2 VAL A 54 12.156 -17.768 2.910 1.00 6.84 C ATOM 504 H VAL A 54 9.489 -18.902 2.619 1.00 0.00 H ATOM 505 N GLN A 55 7.845 -16.132 2.393 1.00 6.40 N ATOM 506 CA GLN A 55 6.727 -15.217 2.212 1.00 6.43 C ATOM 507 C GLN A 55 5.848 -15.102 3.453 1.00 6.04 C ATOM 508 O GLN A 55 5.329 -14.021 3.776 1.00 8.06 O ATOM 509 CB GLN A 55 5.873 -15.662 1.034 1.00 7.62 C ATOM 510 CG GLN A 55 6.511 -15.526 -0.349 1.00 6.61 C ATOM 511 CD GLN A 55 5.663 -16.168 -1.441 1.00 11.52 C ATOM 512 OE1 GLN A 55 4.870 -17.060 -1.175 1.00 12.48 O ATOM 513 NE2 GLN A 55 5.835 -15.718 -2.664 1.00 8.72 N ATOM 514 HE22 GLN A 55 6.520 -14.957 -2.847 1.00 0.00 H ATOM 515 HE21 GLN A 55 5.286 -16.123 -3.449 1.00 0.00 H ATOM 516 H GLN A 55 7.934 -16.963 1.773 1.00 0.00 H ATOM 517 N ALA A 56 5.703 -16.197 4.186 1.00 7.19 N ATOM 518 CA ALA A 56 4.915 -16.181 5.410 1.00 6.41 C ATOM 519 C ALA A 56 5.488 -15.289 6.505 1.00 6.62 C ATOM 520 O ALA A 56 4.777 -14.971 7.431 1.00 7.89 O ATOM 521 CB ALA A 56 4.756 -17.577 5.951 1.00 7.73 C ATOM 522 H ALA A 56 6.159 -17.081 3.882 1.00 0.00 H ATOM 523 N VAL A 57 6.757 -14.894 6.424 1.00 4.98 N ATOM 524 CA VAL A 57 7.322 -14.042 7.453 1.00 4.15 C ATOM 525 C VAL A 57 6.600 -12.708 7.506 1.00 6.13 C ATOM 526 O VAL A 57 6.517 -12.092 8.554 1.00 7.00 O ATOM 527 CB VAL A 57 8.831 -13.892 7.213 1.00 5.63 C ATOM 528 CG1 VAL A 57 9.457 -12.905 8.202 1.00 5.68 C ATOM 529 CG2 VAL A 57 9.478 -15.244 7.378 1.00 7.82 C ATOM 530 H VAL A 57 7.344 -15.197 5.621 1.00 0.00 H ATOM 531 N CYS A 58 6.053 -12.278 6.376 1.00 6.69 N ATOM 532 CA CYS A 58 5.302 -11.010 6.328 1.00 7.20 C ATOM 533 C CYS A 58 4.010 -11.020 7.165 1.00 8.34 C ATOM 534 O CYS A 58 3.386 -9.962 7.346 1.00 10.99 O ATOM 535 CB CYS A 58 4.955 -10.647 4.891 1.00 7.91 C ATOM 536 SG CYS A 58 6.380 -10.327 3.840 1.00 12.17 S ATOM 537 H CYS A 58 6.156 -12.845 5.510 1.00 0.00 H ATOM 538 N SER A 59 3.633 -12.194 7.684 1.00 7.63 N ATOM 539 CA SER A 59 2.509 -12.352 8.608 1.00 8.98 C ATOM 540 C SER A 59 2.980 -12.687 10.029 1.00 11.64 C ATOM 541 O SER A 59 2.165 -13.060 10.877 1.00 12.39 O ATOM 542 CB SER A 59 1.546 -13.448 8.104 1.00 14.21 C ATOM 543 OG SER A 59 1.053 -13.151 6.795 1.00 12.95 O ATOM 544 HG SER A 59 1.813 -13.087 6.164 1.00 0.00 H ATOM 545 H SER A 59 4.170 -13.043 7.415 1.00 0.00 H ATOM 546 N GLN A 60 4.286 -12.572 10.298 1.00 8.67 N ATOM 547 CA GLN A 60 4.815 -12.964 11.594 1.00 8.23 C ATOM 548 C GLN A 60 5.110 -11.720 12.451 1.00 7.46 C ATOM 549 O GLN A 60 4.228 -10.858 12.560 1.00 11.45 O ATOM 550 CB GLN A 60 6.006 -13.932 11.382 1.00 5.94 C ATOM 551 CG GLN A 60 5.472 -15.220 10.726 1.00 7.82 C ATOM 552 CD GLN A 60 6.522 -16.273 10.351 1.00 6.35 C ATOM 553 OE1 GLN A 60 7.689 -16.194 10.736 1.00 7.59 O ATOM 554 NE2 GLN A 60 6.106 -17.255 9.562 1.00 8.72 N ATOM 555 HE22 GLN A 60 5.113 -17.291 9.256 1.00 0.00 H ATOM 556 HE21 GLN A 60 6.773 -17.989 9.250 1.00 0.00 H ATOM 557 H GLN A 60 4.930 -12.198 9.572 1.00 0.00 H ATOM 558 N LYS A 61 6.275 -11.603 13.082 1.00 7.35 N ATOM 559 CA LYS A 61 6.455 -10.553 14.088 1.00 7.80 C ATOM 560 C LYS A 61 6.838 -9.205 13.477 1.00 6.34 C ATOM 561 O LYS A 61 7.909 -9.082 12.919 1.00 8.13 O ATOM 562 CB LYS A 61 7.519 -10.968 15.101 1.00 9.67 C ATOM 563 CG LYS A 61 7.701 -10.021 16.278 1.00 9.56 C ATOM 564 CD LYS A 61 8.879 -10.411 17.141 1.00 14.29 C ATOM 565 CE LYS A 61 8.929 -9.606 18.414 1.00 18.36 C ATOM 566 NZ LYS A 61 10.122 -9.948 19.250 1.00 18.91 N ATOM 567 HZ1 LYS A 61 10.088 -10.956 19.505 1.00 0.00 H ATOM 568 HZ2 LYS A 61 10.989 -9.755 18.710 1.00 0.00 H ATOM 569 HZ3 LYS A 61 10.115 -9.370 20.115 1.00 0.00 H ATOM 570 H LYS A 61 7.055 -12.254 12.862 1.00 0.00 H ATOM 571 N ASN A 62 5.989 -8.192 13.618 1.00 8.81 N ATOM 572 CA ASN A 62 6.292 -6.857 13.099 1.00 8.88 C ATOM 573 C ASN A 62 7.402 -6.238 13.946 1.00 8.50 C ATOM 574 O ASN A 62 7.332 -6.244 15.187 1.00 12.04 O ATOM 575 CB ASN A 62 5.001 -5.994 13.109 1.00 9.27 C ATOM 576 CG ASN A 62 5.133 -4.612 12.444 1.00 11.67 C ATOM 577 OD1 ASN A 62 4.449 -3.685 12.869 1.00 20.61 O ATOM 578 ND2 ASN A 62 5.938 -4.476 11.390 1.00 8.14 N ATOM 579 HD22 ASN A 62 6.502 -5.284 11.059 1.00 0.00 H ATOM 580 HD21 ASN A 62 6.002 -3.562 10.899 1.00 0.00 H ATOM 581 H ASN A 62 5.087 -8.352 14.110 1.00 0.00 H ATOM 582 N VAL A 63 8.438 -5.728 13.284 1.00 6.39 N ATOM 583 CA VAL A 63 9.570 -5.099 13.937 1.00 5.94 C ATOM 584 C VAL A 63 10.053 -3.874 13.168 1.00 7.82 C ATOM 585 O VAL A 63 9.619 -3.650 12.041 1.00 9.96 O ATOM 586 CB VAL A 63 10.777 -6.053 14.076 1.00 6.01 C ATOM 587 CG1 VAL A 63 10.425 -7.299 14.886 1.00 9.42 C ATOM 588 CG2 VAL A 63 11.322 -6.430 12.702 1.00 7.54 C ATOM 589 H VAL A 63 8.436 -5.783 12.245 1.00 0.00 H ATOM 590 N ALA A 64 10.929 -3.084 13.762 1.00 7.77 N ATOM 591 CA ALA A 64 11.487 -1.938 13.060 1.00 7.98 C ATOM 592 C ALA A 64 12.642 -2.358 12.160 1.00 7.53 C ATOM 593 O ALA A 64 13.512 -3.150 12.534 1.00 8.51 O ATOM 594 CB ALA A 64 11.947 -0.873 14.051 1.00 10.67 C ATOM 595 H ALA A 64 11.222 -3.283 14.740 1.00 0.00 H ATOM 596 N CYS A 65 12.663 -1.780 10.962 1.00 6.30 N ATOM 597 CA CYS A 65 13.778 -1.901 10.058 1.00 7.68 C ATOM 598 C CYS A 65 14.995 -1.133 10.538 1.00 6.48 C ATOM 599 O CYS A 65 14.875 -0.245 11.367 1.00 7.65 O ATOM 600 CB CYS A 65 13.393 -1.369 8.693 1.00 7.37 C ATOM 601 SG CYS A 65 11.859 -2.025 7.968 1.00 10.70 S ATOM 602 H CYS A 65 11.840 -1.217 10.666 1.00 0.00 H ATOM 603 N LYS A 66 16.170 -1.425 10.002 1.00 5.95 N ATOM 604 CA LYS A 66 17.382 -0.756 10.479 1.00 6.72 C ATOM 605 C LYS A 66 17.302 0.739 10.291 1.00 8.68 C ATOM 606 O LYS A 66 17.826 1.493 11.118 1.00 11.46 O ATOM 607 CB LYS A 66 18.635 -1.289 9.771 1.00 9.91 C ATOM 608 CG LYS A 66 19.051 -2.691 10.234 1.00 9.90 C ATOM 609 CD LYS A 66 20.427 -3.091 9.687 1.00 12.89 C ATOM 610 CE LYS A 66 21.019 -4.262 10.463 1.00 21.64 C ATOM 611 NZ LYS A 66 22.322 -4.718 9.896 1.00 29.77 N ATOM 612 HZ1 LYS A 66 22.183 -5.022 8.911 1.00 0.00 H ATOM 613 HZ2 LYS A 66 23.005 -3.934 9.925 1.00 0.00 H ATOM 614 HZ3 LYS A 66 22.683 -5.515 10.458 1.00 0.00 H ATOM 615 H LYS A 66 16.232 -2.131 9.241 1.00 0.00 H ATOM 616 N ASN A 67 16.646 1.189 9.221 1.00 7.36 N ATOM 617 CA ASN A 67 16.541 2.636 8.998 1.00 9.43 C ATOM 618 C ASN A 67 15.376 3.300 9.720 1.00 8.39 C ATOM 619 O ASN A 67 15.165 4.501 9.581 1.00 10.91 O ATOM 620 CB ASN A 67 16.459 2.960 7.486 1.00 8.33 C ATOM 621 CG ASN A 67 15.197 2.449 6.823 1.00 4.73 C ATOM 622 OD1 ASN A 67 14.304 1.919 7.494 1.00 7.28 O ATOM 623 ND2 ASN A 67 15.118 2.596 5.508 1.00 7.36 N ATOM 624 HD22 ASN A 67 15.896 3.049 4.988 1.00 0.00 H ATOM 625 HD21 ASN A 67 14.278 2.258 4.997 1.00 0.00 H ATOM 626 H ASN A 67 16.213 0.522 8.551 1.00 0.00 H ATOM 627 N GLY A 68 14.608 2.531 10.483 1.00 8.03 N ATOM 628 CA GLY A 68 13.461 3.079 11.196 1.00 9.64 C ATOM 629 C GLY A 68 12.101 2.833 10.569 1.00 10.03 C ATOM 630 O GLY A 68 11.080 3.086 11.210 1.00 12.81 O ATOM 631 H GLY A 68 14.829 1.519 10.573 1.00 0.00 H ATOM 632 N GLN A 69 12.047 2.366 9.326 1.00 9.82 N ATOM 633 CA GLN A 69 10.773 2.021 8.716 1.00 9.00 C ATOM 634 C GLN A 69 10.078 0.955 9.563 1.00 6.27 C ATOM 635 O GLN A 69 10.759 0.203 10.288 1.00 10.71 O ATOM 636 CB GLN A 69 10.972 1.506 7.288 1.00 8.97 C ATOM 637 CG GLN A 69 11.239 2.555 6.229 1.00 7.91 C ATOM 638 CD GLN A 69 11.421 1.914 4.873 1.00 7.29 C ATOM 639 OE1 GLN A 69 12.534 1.595 4.454 1.00 7.72 O ATOM 640 NE2 GLN A 69 10.311 1.681 4.188 1.00 10.30 N ATOM 641 HE22 GLN A 69 9.390 1.966 4.578 1.00 0.00 H ATOM 642 HE21 GLN A 69 10.361 1.213 3.261 1.00 0.00 H ATOM 643 H GLN A 69 12.926 2.246 8.783 1.00 0.00 H ATOM 644 N THR A 70 8.752 0.847 9.435 1.00 7.97 N ATOM 645 CA THR A 70 7.981 -0.046 10.284 1.00 8.96 C ATOM 646 C THR A 70 7.352 -1.215 9.520 1.00 9.37 C ATOM 647 O THR A 70 6.488 -1.907 10.066 1.00 10.65 O ATOM 648 CB THR A 70 6.853 0.717 11.017 1.00 11.19 C ATOM 649 OG1 THR A 70 5.981 1.322 10.061 1.00 17.34 O ATOM 650 CG2 THR A 70 7.446 1.767 11.953 1.00 22.70 C ATOM 651 HG1 THR A 70 5.261 1.809 10.535 1.00 0.00 H ATOM 652 H THR A 70 8.262 1.413 8.713 1.00 0.00 H ATOM 653 N ASN A 71 7.738 -1.440 8.266 1.00 6.12 N ATOM 654 CA ASN A 71 7.211 -2.570 7.479 1.00 7.13 C ATOM 655 C ASN A 71 8.107 -3.804 7.477 1.00 6.83 C ATOM 656 O ASN A 71 8.102 -4.563 6.506 1.00 8.33 O ATOM 657 CB ASN A 71 6.953 -2.141 6.033 1.00 7.53 C ATOM 658 CG ASN A 71 8.223 -1.765 5.274 1.00 8.59 C ATOM 659 OD1 ASN A 71 9.224 -1.365 5.859 1.00 11.17 O ATOM 660 ND2 ASN A 71 8.185 -1.923 3.949 1.00 9.98 N ATOM 661 HD22 ASN A 71 7.316 -2.265 3.491 1.00 0.00 H ATOM 662 HD21 ASN A 71 9.024 -1.704 3.375 1.00 0.00 H ATOM 663 H ASN A 71 8.431 -0.800 7.829 1.00 0.00 H ATOM 664 N CYS A 72 8.918 -3.967 8.522 1.00 6.21 N ATOM 665 CA CYS A 72 9.777 -5.149 8.635 1.00 5.08 C ATOM 666 C CYS A 72 9.130 -6.212 9.546 1.00 5.37 C ATOM 667 O CYS A 72 8.302 -5.924 10.437 1.00 6.70 O ATOM 668 CB CYS A 72 11.183 -4.778 9.129 1.00 8.22 C ATOM 669 SG CYS A 72 12.195 -4.046 7.773 1.00 9.72 S ATOM 670 H CYS A 72 8.942 -3.244 9.269 1.00 0.00 H ATOM 671 N TYR A 73 9.512 -7.454 9.268 1.00 4.96 N ATOM 672 CA TYR A 73 8.948 -8.604 9.931 1.00 5.29 C ATOM 673 C TYR A 73 10.053 -9.588 10.240 1.00 5.37 C ATOM 674 O TYR A 73 10.900 -9.849 9.386 1.00 6.85 O ATOM 675 CB TYR A 73 7.866 -9.271 9.073 1.00 4.74 C ATOM 676 CG TYR A 73 6.650 -8.403 8.977 1.00 7.13 C ATOM 677 CD1 TYR A 73 6.610 -7.364 8.072 1.00 6.88 C ATOM 678 CD2 TYR A 73 5.580 -8.557 9.850 1.00 12.15 C ATOM 679 CE1 TYR A 73 5.553 -6.511 8.022 1.00 10.50 C ATOM 680 CE2 TYR A 73 4.501 -7.689 9.795 1.00 12.31 C ATOM 681 CZ TYR A 73 4.510 -6.683 8.872 1.00 10.04 C ATOM 682 OH TYR A 73 3.459 -5.788 8.766 1.00 20.58 O ATOM 683 HH TYR A 73 3.652 -5.139 8.044 1.00 0.00 H ATOM 684 H TYR A 73 10.245 -7.602 8.545 1.00 0.00 H ATOM 685 N GLN A 74 10.015 -10.138 11.451 1.00 7.39 N ATOM 686 CA GLN A 74 10.999 -11.090 11.945 1.00 5.66 C ATOM 687 C GLN A 74 10.386 -12.480 11.975 1.00 5.45 C ATOM 688 O GLN A 74 9.266 -12.676 12.449 1.00 6.35 O ATOM 689 CB GLN A 74 11.480 -10.688 13.343 1.00 5.53 C ATOM 690 CG GLN A 74 12.497 -11.605 13.989 1.00 6.05 C ATOM 691 CD GLN A 74 12.858 -11.112 15.362 1.00 7.82 C ATOM 692 OE1 GLN A 74 13.198 -9.942 15.534 1.00 9.67 O ATOM 693 NE2 GLN A 74 12.787 -11.992 16.346 1.00 9.36 N ATOM 694 HE22 GLN A 74 12.494 -12.970 16.149 1.00 0.00 H ATOM 695 HE21 GLN A 74 13.024 -11.706 17.317 1.00 0.00 H ATOM 696 H GLN A 74 9.234 -9.871 12.084 1.00 0.00 H ATOM 697 N SER A 75 11.115 -13.444 11.431 1.00 4.80 N ATOM 698 CA SER A 75 10.636 -14.814 11.393 1.00 5.14 C ATOM 699 C SER A 75 10.487 -15.390 12.822 1.00 6.45 C ATOM 700 O SER A 75 11.327 -15.198 13.695 1.00 6.77 O ATOM 701 CB SER A 75 11.573 -15.695 10.544 1.00 5.70 C ATOM 702 OG SER A 75 12.893 -15.755 11.080 1.00 6.65 O ATOM 703 HG SER A 75 12.860 -16.134 11.994 1.00 0.00 H ATOM 704 H SER A 75 12.045 -13.215 11.025 1.00 0.00 H ATOM 705 N TYR A 76 9.390 -16.105 13.060 1.00 5.58 N ATOM 706 CA TYR A 76 9.206 -16.774 14.336 1.00 6.65 C ATOM 707 C TYR A 76 10.282 -17.854 14.584 1.00 7.59 C ATOM 708 O TYR A 76 10.740 -18.060 15.720 1.00 10.84 O ATOM 709 CB TYR A 76 7.815 -17.419 14.391 1.00 8.03 C ATOM 710 CG TYR A 76 6.658 -16.441 14.514 1.00 9.53 C ATOM 711 CD1 TYR A 76 6.801 -15.285 15.258 1.00 16.54 C ATOM 712 CD2 TYR A 76 5.439 -16.711 13.941 1.00 20.22 C ATOM 713 CE1 TYR A 76 5.769 -14.397 15.404 1.00 17.84 C ATOM 714 CE2 TYR A 76 4.393 -15.818 14.084 1.00 16.47 C ATOM 715 CZ TYR A 76 4.579 -14.671 14.812 1.00 16.58 C ATOM 716 OH TYR A 76 3.546 -13.761 14.969 1.00 29.63 O ATOM 717 HH TYR A 76 3.859 -13.000 15.520 1.00 0.00 H ATOM 718 H TYR A 76 8.658 -16.185 12.326 1.00 0.00 H ATOM 719 N SER A 77 10.666 -18.548 13.519 1.00 8.97 N ATOM 720 CA SER A 77 11.659 -19.632 13.595 1.00 7.16 C ATOM 721 C SER A 77 12.973 -19.201 12.976 1.00 7.67 C ATOM 722 O SER A 77 13.018 -18.282 12.173 1.00 8.07 O ATOM 723 H SER A 77 10.249 -18.317 12.595 1.00 0.00 H ATOM 724 N THR A 78 14.065 -19.851 13.366 1.00 8.47 N ATOM 725 CA THR A 78 15.333 -19.607 12.695 1.00 6.08 C ATOM 726 C THR A 78 15.298 -20.296 11.338 1.00 5.78 C ATOM 727 O THR A 78 14.561 -21.260 11.130 1.00 8.27 O ATOM 728 CB THR A 78 16.538 -20.098 13.505 1.00 7.04 C ATOM 729 OG1 THR A 78 16.465 -21.519 13.659 1.00 8.10 O ATOM 730 CG2 THR A 78 16.617 -19.432 14.883 1.00 8.02 C ATOM 731 HG1 THR A 78 16.471 -21.947 12.766 1.00 0.00 H ATOM 732 H THR A 78 14.013 -20.533 14.150 1.00 0.00 H ATOM 733 N MET A 79 16.104 -19.791 10.420 1.00 5.03 N ATOM 734 CA MET A 79 16.184 -20.301 9.057 1.00 5.62 C ATOM 735 C MET A 79 17.625 -20.512 8.653 1.00 5.80 C ATOM 736 O MET A 79 18.522 -19.801 9.088 1.00 5.11 O ATOM 737 CB MET A 79 15.505 -19.336 8.078 1.00 8.69 C ATOM 738 CG MET A 79 14.016 -19.164 8.339 1.00 6.95 C ATOM 739 SD MET A 79 13.257 -18.171 7.053 1.00 11.08 S ATOM 740 CE MET A 79 11.509 -18.448 7.416 1.00 11.60 C ATOM 741 H MET A 79 16.712 -18.989 10.684 1.00 0.00 H ATOM 742 N SER A 80 17.848 -21.487 7.778 1.00 6.89 N ATOM 743 CA SER A 80 19.176 -21.704 7.193 1.00 6.96 C ATOM 744 C SER A 80 19.493 -20.628 6.161 1.00 3.97 C ATOM 745 O SER A 80 18.723 -20.450 5.227 1.00 6.22 O ATOM 746 CB SER A 80 19.260 -23.073 6.535 1.00 6.31 C ATOM 747 OG SER A 80 20.505 -23.224 5.860 1.00 8.29 O ATOM 748 HG SER A 80 20.544 -24.119 5.438 1.00 0.00 H ATOM 749 H SER A 80 17.063 -22.111 7.501 1.00 0.00 H ATOM 750 N ILE A 81 20.609 -19.926 6.336 1.00 4.74 N ATOM 751 CA ILE A 81 20.976 -18.837 5.468 1.00 4.30 C ATOM 752 C ILE A 81 22.467 -18.868 5.192 1.00 4.45 C ATOM 753 O ILE A 81 23.246 -19.495 5.909 1.00 4.79 O ATOM 754 CB ILE A 81 20.608 -17.453 6.058 1.00 5.53 C ATOM 755 CG1 ILE A 81 21.395 -17.159 7.333 1.00 8.54 C ATOM 756 CG2 ILE A 81 19.105 -17.344 6.327 1.00 5.57 C ATOM 757 CD1 ILE A 81 21.138 -15.761 7.902 1.00 11.16 C ATOM 758 H ILE A 81 21.238 -20.172 7.127 1.00 0.00 H ATOM 759 N THR A 82 22.864 -18.187 4.126 1.00 5.69 N ATOM 760 CA THR A 82 24.266 -17.943 3.838 1.00 4.53 C ATOM 761 C THR A 82 24.480 -16.453 3.721 1.00 5.11 C ATOM 762 O THR A 82 23.792 -15.776 2.950 1.00 6.82 O ATOM 763 CB THR A 82 24.716 -18.669 2.540 1.00 8.32 C ATOM 764 OG1 THR A 82 24.467 -20.072 2.677 1.00 8.24 O ATOM 765 CG2 THR A 82 26.209 -18.403 2.238 1.00 9.98 C ATOM 766 HG1 THR A 82 23.499 -20.221 2.824 1.00 0.00 H ATOM 767 H THR A 82 22.146 -17.814 3.473 1.00 0.00 H ATOM 768 N ASP A 83 25.451 -15.946 4.483 1.00 7.10 N ATOM 769 CA ASP A 83 25.849 -14.556 4.426 1.00 8.53 C ATOM 770 C ASP A 83 27.045 -14.401 3.511 1.00 6.72 C ATOM 771 O ASP A 83 28.002 -15.167 3.607 1.00 9.73 O ATOM 772 CB ASP A 83 26.179 -14.054 5.824 1.00 12.76 C ATOM 773 CG ASP A 83 24.936 -13.821 6.667 1.00 31.18 C ATOM 774 OD1 ASP A 83 23.994 -13.139 6.193 1.00 31.19 O ATOM 775 OD2 ASP A 83 24.900 -14.329 7.810 1.00 55.31 O ATOM 776 H ASP A 83 25.943 -16.577 5.147 1.00 0.00 H ATOM 777 N CYS A 84 26.950 -13.450 2.589 1.00 7.50 N ATOM 778 CA CYS A 84 28.019 -13.105 1.649 1.00 7.92 C ATOM 779 C CYS A 84 28.500 -11.692 1.932 1.00 10.38 C ATOM 780 O CYS A 84 27.694 -10.746 1.945 1.00 11.17 O ATOM 781 CB CYS A 84 27.536 -13.185 0.197 1.00 9.25 C ATOM 782 SG CYS A 84 26.898 -14.845 -0.339 1.00 12.91 S ATOM 783 H CYS A 84 26.059 -12.916 2.531 1.00 0.00 H ATOM 784 N ARG A 85 29.804 -11.547 2.153 1.00 8.59 N ATOM 785 CA ARG A 85 30.411 -10.260 2.452 1.00 9.65 C ATOM 786 C ARG A 85 31.591 -10.026 1.526 1.00 12.07 C ATOM 787 O ARG A 85 32.500 -10.839 1.465 1.00 11.13 O ATOM 788 CB ARG A 85 30.865 -10.202 3.910 1.00 13.76 C ATOM 789 CG ARG A 85 31.400 -8.836 4.344 1.00 35.01 C ATOM 790 CD ARG A 85 31.834 -8.843 5.806 1.00 52.63 C ATOM 791 NE ARG A 85 30.743 -9.213 6.707 1.00 65.47 N ATOM 792 CZ ARG A 85 30.903 -9.523 7.991 1.00 74.45 C ATOM 793 NH1 ARG A 85 32.113 -9.517 8.539 1.00 67.06 N ATOM 794 NH2 ARG A 85 29.849 -9.844 8.730 1.00 68.27 N ATOM 795 HE ARG A 85 29.779 -9.235 6.318 1.00 0.00 H ATOM 796 HH12 ARG A 85 32.230 -9.760 9.543 1.00 0.00 H ATOM 797 HH11 ARG A 85 32.943 -9.269 7.964 1.00 0.00 H ATOM 798 HH22 ARG A 85 29.972 -10.087 9.734 1.00 0.00 H ATOM 799 HH21 ARG A 85 28.900 -9.853 8.306 1.00 0.00 H ATOM 800 H ARG A 85 30.414 -12.388 2.110 1.00 0.00 H ATOM 801 N GLU A 86 31.574 -8.908 0.821 1.00 8.69 N ATOM 802 CA GLU A 86 32.655 -8.545 -0.083 1.00 9.97 C ATOM 803 C GLU A 86 33.956 -8.363 0.704 1.00 13.22 C ATOM 804 O GLU A 86 33.954 -7.777 1.787 1.00 12.66 O ATOM 805 CB GLU A 86 32.298 -7.261 -0.856 1.00 11.04 C ATOM 806 CG GLU A 86 33.287 -6.954 -1.967 1.00 17.17 C ATOM 807 CD GLU A 86 33.018 -5.652 -2.702 1.00 23.90 C ATOM 808 OE1 GLU A 86 32.303 -4.781 -2.154 1.00 26.73 O ATOM 809 OE2 GLU A 86 33.533 -5.503 -3.838 1.00 21.28 O ATOM 810 H GLU A 86 30.761 -8.266 0.916 1.00 0.00 H ATOM 811 N THR A 87 35.057 -8.860 0.151 1.00 11.88 N ATOM 812 CA THR A 87 36.344 -8.772 0.817 1.00 10.88 C ATOM 813 C THR A 87 36.950 -7.402 0.553 1.00 11.13 C ATOM 814 O THR A 87 36.518 -6.674 -0.342 1.00 13.83 O ATOM 815 CB THR A 87 37.311 -9.840 0.330 1.00 11.25 C ATOM 816 OG1 THR A 87 37.670 -9.589 -1.036 1.00 14.86 O ATOM 817 CG2 THR A 87 36.701 -11.220 0.426 1.00 16.72 C ATOM 818 HG1 THR A 87 38.299 -10.288 -1.345 1.00 0.00 H ATOM 819 H THR A 87 34.996 -9.322 -0.779 1.00 0.00 H ATOM 820 N GLY A 88 37.975 -7.071 1.327 1.00 15.63 N ATOM 821 CA GLY A 88 38.642 -5.795 1.193 1.00 15.60 C ATOM 822 C GLY A 88 39.433 -5.663 -0.089 1.00 15.87 C ATOM 823 O GLY A 88 39.719 -4.555 -0.539 1.00 22.68 O ATOM 824 H GLY A 88 38.307 -7.745 2.047 1.00 0.00 H ATOM 825 N SER A 89 39.794 -6.790 -0.687 1.00 13.41 N ATOM 826 CA SER A 89 40.527 -6.783 -1.936 1.00 12.18 C ATOM 827 C SER A 89 39.684 -6.771 -3.202 1.00 16.15 C ATOM 828 O SER A 89 40.208 -6.527 -4.292 1.00 15.81 O ATOM 829 CB SER A 89 41.433 -8.001 -1.992 1.00 17.14 C ATOM 830 OG SER A 89 40.663 -9.180 -2.067 1.00 16.55 O ATOM 831 HG SER A 89 40.103 -9.155 -2.883 1.00 0.00 H ATOM 832 H SER A 89 39.545 -7.700 -0.249 1.00 0.00 H ATOM 833 N SER A 90 38.393 -7.053 -3.055 1.00 12.41 N ATOM 834 CA SER A 90 37.476 -7.179 -4.186 1.00 12.96 C ATOM 835 C SER A 90 37.490 -5.954 -5.088 1.00 13.52 C ATOM 836 O SER A 90 37.354 -4.835 -4.608 1.00 15.31 O ATOM 837 CB SER A 90 36.083 -7.427 -3.636 1.00 13.35 C ATOM 838 OG SER A 90 35.145 -7.601 -4.679 1.00 13.70 O ATOM 839 HG SER A 90 34.248 -7.761 -4.291 1.00 0.00 H ATOM 840 H SER A 90 38.020 -7.190 -2.094 1.00 0.00 H ATOM 841 N LYS A 91 37.673 -6.175 -6.385 1.00 17.12 N ATOM 842 CA LYS A 91 37.635 -5.084 -7.357 1.00 17.05 C ATOM 843 C LYS A 91 36.840 -5.478 -8.590 1.00 15.98 C ATOM 844 O LYS A 91 37.204 -6.411 -9.307 1.00 19.55 O ATOM 845 CB LYS A 91 39.054 -4.672 -7.753 1.00 26.39 C ATOM 846 CG LYS A 91 39.105 -3.485 -8.720 1.00 27.74 C ATOM 847 H LYS A 91 37.847 -7.145 -6.716 1.00 0.00 H ATOM 848 N TYR A 92 35.743 -4.769 -8.815 1.00 17.50 N ATOM 849 CA TYR A 92 34.893 -5.026 -9.972 1.00 21.59 C ATOM 850 C TYR A 92 35.709 -5.009 -11.272 1.00 21.81 C ATOM 851 O TYR A 92 36.564 -4.140 -11.444 1.00 24.54 O ATOM 852 CB TYR A 92 33.780 -3.981 -10.019 1.00 19.65 C ATOM 853 CG TYR A 92 32.896 -4.068 -11.233 1.00 19.53 C ATOM 854 CD1 TYR A 92 31.760 -4.864 -11.232 1.00 25.17 C ATOM 855 CD2 TYR A 92 33.188 -3.344 -12.373 1.00 26.53 C ATOM 856 CE1 TYR A 92 30.954 -4.949 -12.342 1.00 22.91 C ATOM 857 CE2 TYR A 92 32.386 -3.421 -13.484 1.00 27.33 C ATOM 858 CZ TYR A 92 31.265 -4.219 -13.461 1.00 24.39 C ATOM 859 OH TYR A 92 30.454 -4.295 -14.569 1.00 21.67 O ATOM 860 HH TYR A 92 29.699 -4.908 -14.383 1.00 0.00 H ATOM 861 H TYR A 92 35.482 -4.012 -8.151 1.00 0.00 H ATOM 862 N PRO A 93 35.437 -5.950 -12.202 1.00 24.41 N ATOM 863 CA PRO A 93 34.395 -6.993 -12.202 1.00 24.10 C ATOM 864 C PRO A 93 34.793 -8.298 -11.522 1.00 27.30 C ATOM 865 O PRO A 93 33.994 -9.240 -11.537 1.00 25.43 O ATOM 866 CB PRO A 93 34.155 -7.234 -13.696 1.00 30.21 C ATOM 867 CG PRO A 93 35.471 -6.969 -14.320 1.00 21.96 C ATOM 868 CD PRO A 93 36.111 -5.866 -13.510 1.00 31.58 C ATOM 869 N ASN A 94 35.997 -8.354 -10.954 1.00 20.37 N ATOM 870 CA ASN A 94 36.471 -9.547 -10.275 1.00 26.80 C ATOM 871 C ASN A 94 36.034 -9.539 -8.819 1.00 23.55 C ATOM 872 O ASN A 94 36.871 -9.529 -7.923 1.00 29.46 O ATOM 873 CB ASN A 94 38.003 -9.647 -10.350 1.00 21.84 C ATOM 874 CG ASN A 94 38.509 -9.913 -11.747 1.00 39.19 C ATOM 875 OD1 ASN A 94 37.815 -10.504 -12.577 1.00 40.02 O ATOM 876 ND2 ASN A 94 39.738 -9.489 -12.011 1.00 37.28 N ATOM 877 HD22 ASN A 94 40.286 -8.995 -11.278 1.00 0.00 H ATOM 878 HD21 ASN A 94 40.153 -9.651 -12.951 1.00 0.00 H ATOM 879 H ASN A 94 36.615 -7.519 -10.998 1.00 0.00 H ATOM 880 N CYS A 95 34.727 -9.532 -8.586 1.00 17.64 N ATOM 881 CA CYS A 95 34.182 -9.396 -7.232 1.00 12.34 C ATOM 882 C CYS A 95 34.503 -10.639 -6.416 1.00 17.99 C ATOM 883 O CYS A 95 34.426 -11.752 -6.937 1.00 22.21 O ATOM 884 CB CYS A 95 32.659 -9.154 -7.273 1.00 13.90 C ATOM 885 SG CYS A 95 32.172 -7.721 -8.274 1.00 17.91 S ATOM 886 H CYS A 95 34.071 -9.626 -9.387 1.00 0.00 H ATOM 887 N ALA A 96 34.849 -10.443 -5.140 1.00 12.60 N ATOM 888 CA ALA A 96 35.294 -11.526 -4.266 1.00 9.72 C ATOM 889 C ALA A 96 34.565 -11.425 -2.936 1.00 8.50 C ATOM 890 O ALA A 96 34.419 -10.339 -2.378 1.00 9.37 O ATOM 891 CB ALA A 96 36.813 -11.470 -4.067 1.00 11.14 C ATOM 892 H ALA A 96 34.799 -9.479 -4.753 1.00 0.00 H ATOM 893 N TYR A 97 34.129 -12.582 -2.423 1.00 7.88 N ATOM 894 CA TYR A 97 33.302 -12.684 -1.213 1.00 7.94 C ATOM 895 C TYR A 97 33.763 -13.737 -0.201 1.00 8.62 C ATOM 896 O TYR A 97 34.306 -14.786 -0.566 1.00 11.67 O ATOM 897 CB TYR A 97 31.853 -13.012 -1.612 1.00 8.41 C ATOM 898 CG TYR A 97 31.208 -11.924 -2.423 1.00 7.79 C ATOM 899 CD1 TYR A 97 31.313 -11.896 -3.806 1.00 9.04 C ATOM 900 CD2 TYR A 97 30.531 -10.896 -1.793 1.00 10.89 C ATOM 901 CE1 TYR A 97 30.745 -10.860 -4.532 1.00 10.12 C ATOM 902 CE2 TYR A 97 29.970 -9.871 -2.508 1.00 8.80 C ATOM 903 CZ TYR A 97 30.082 -9.862 -3.868 1.00 9.56 C ATOM 904 OH TYR A 97 29.526 -8.817 -4.571 1.00 12.93 O ATOM 905 HH TYR A 97 29.941 -7.967 -4.279 1.00 0.00 H ATOM 906 H TYR A 97 34.392 -13.462 -2.911 1.00 0.00 H ATOM 907 N LYS A 98 33.508 -13.448 1.065 1.00 7.62 N ATOM 908 CA LYS A 98 33.568 -14.455 2.117 1.00 8.01 C ATOM 909 C LYS A 98 32.181 -15.084 2.299 1.00 11.01 C ATOM 910 O LYS A 98 31.177 -14.364 2.330 1.00 11.49 O ATOM 911 CB LYS A 98 34.034 -13.839 3.429 1.00 9.58 C ATOM 912 CG LYS A 98 34.164 -14.834 4.569 1.00 13.08 C ATOM 913 CD LYS A 98 34.684 -14.195 5.826 1.00 24.77 C ATOM 914 CE LYS A 98 35.013 -15.274 6.859 1.00 31.51 C ATOM 915 NZ LYS A 98 35.571 -14.691 8.107 1.00 39.34 N ATOM 916 HZ1 LYS A 98 36.445 -14.173 7.885 1.00 0.00 H ATOM 917 HZ2 LYS A 98 34.876 -14.039 8.524 1.00 0.00 H ATOM 918 HZ3 LYS A 98 35.781 -15.455 8.781 1.00 0.00 H ATOM 919 H LYS A 98 33.257 -12.471 1.317 1.00 0.00 H ATOM 920 N THR A 99 32.135 -16.403 2.416 1.00 8.03 N ATOM 921 CA THR A 99 30.902 -17.152 2.647 1.00 8.06 C ATOM 922 C THR A 99 30.779 -17.546 4.117 1.00 10.14 C ATOM 923 O THR A 99 31.711 -18.107 4.676 1.00 11.63 O ATOM 924 CB THR A 99 30.877 -18.409 1.764 1.00 8.59 C ATOM 925 OG1 THR A 99 30.891 -18.006 0.390 1.00 9.81 O ATOM 926 CG2 THR A 99 29.653 -19.274 1.997 1.00 11.43 C ATOM 927 HG1 THR A 99 30.095 -17.447 0.203 1.00 0.00 H ATOM 928 H THR A 99 33.026 -16.934 2.339 1.00 0.00 H ATOM 929 N THR A 100 29.644 -17.240 4.751 1.00 9.28 N ATOM 930 CA THR A 100 29.418 -17.693 6.119 1.00 9.28 C ATOM 931 C THR A 100 28.062 -18.386 6.243 1.00 8.88 C ATOM 932 O THR A 100 27.026 -17.801 5.949 1.00 10.40 O ATOM 933 CB THR A 100 29.505 -16.532 7.102 1.00 13.41 C ATOM 934 OG1 THR A 100 30.750 -15.837 6.919 1.00 18.65 O ATOM 935 CG2 THR A 100 29.418 -17.040 8.542 1.00 19.44 C ATOM 936 HG1 THR A 100 30.800 -15.489 5.993 1.00 0.00 H ATOM 937 H THR A 100 28.917 -16.676 4.267 1.00 0.00 H ATOM 938 N GLN A 101 28.079 -19.631 6.689 1.00 10.67 N ATOM 939 CA GLN A 101 26.849 -20.378 6.961 1.00 9.03 C ATOM 940 C GLN A 101 26.248 -19.927 8.273 1.00 8.47 C ATOM 941 O GLN A 101 26.971 -19.697 9.251 1.00 11.09 O ATOM 942 CB GLN A 101 27.133 -21.874 7.037 1.00 11.44 C ATOM 943 CG GLN A 101 27.695 -22.533 5.799 1.00 21.48 C ATOM 944 CD GLN A 101 27.544 -24.058 5.841 1.00 42.88 C ATOM 945 OE1 GLN A 101 27.554 -24.681 6.914 1.00 29.74 O ATOM 946 NE2 GLN A 101 27.383 -24.659 4.672 1.00 35.85 N ATOM 947 HE22 GLN A 101 27.381 -24.099 3.795 1.00 0.00 H ATOM 948 HE21 GLN A 101 27.259 -25.691 4.630 1.00 0.00 H ATOM 949 H GLN A 101 28.996 -20.095 6.852 1.00 0.00 H ATOM 950 N ALA A 102 24.924 -19.860 8.322 1.00 7.06 N ATOM 951 CA ALA A 102 24.245 -19.457 9.543 1.00 6.55 C ATOM 952 C ALA A 102 22.862 -20.045 9.644 1.00 4.95 C ATOM 953 O ALA A 102 22.312 -20.558 8.696 1.00 5.01 O ATOM 954 CB ALA A 102 24.151 -17.945 9.626 1.00 7.16 C ATOM 955 H ALA A 102 24.365 -20.098 7.478 1.00 0.00 H ATOM 956 N ASN A 103 22.314 -19.987 10.847 1.00 5.99 N ATOM 957 CA ASN A 103 20.940 -20.408 11.106 1.00 6.01 C ATOM 958 C ASN A 103 20.396 -19.455 12.146 1.00 6.30 C ATOM 959 O ASN A 103 20.748 -19.539 13.334 1.00 7.24 O ATOM 960 CB ASN A 103 20.875 -21.856 11.554 1.00 5.74 C ATOM 961 CG ASN A 103 19.500 -22.378 11.496 1.00 12.08 C ATOM 962 OD1 ASN A 103 18.634 -21.861 12.177 1.00 12.44 O ATOM 963 ND2 ASN A 103 19.253 -23.351 10.624 1.00 17.62 N ATOM 964 HD22 ASN A 103 20.030 -23.759 10.066 1.00 0.00 H ATOM 965 HD21 ASN A 103 18.283 -23.704 10.500 1.00 0.00 H ATOM 966 H ASN A 103 22.884 -19.628 11.639 1.00 0.00 H ATOM 967 N LYS A 104 19.607 -18.499 11.669 1.00 5.10 N ATOM 968 CA LYS A 104 19.206 -17.322 12.417 1.00 5.53 C ATOM 969 C LYS A 104 17.805 -16.865 12.013 1.00 7.16 C ATOM 970 O LYS A 104 17.298 -17.276 10.973 1.00 6.02 O ATOM 971 CB LYS A 104 20.178 -16.152 12.166 1.00 9.56 C ATOM 972 CG LYS A 104 21.612 -16.327 12.655 1.00 10.12 C ATOM 973 CD LYS A 104 22.473 -15.132 12.212 1.00 13.95 C ATOM 974 CE LYS A 104 23.874 -15.191 12.826 1.00 18.71 C ATOM 975 NZ LYS A 104 23.836 -14.957 14.294 1.00 36.43 N ATOM 976 HZ1 LYS A 104 23.432 -14.018 14.484 1.00 0.00 H ATOM 977 HZ2 LYS A 104 23.247 -15.686 14.745 1.00 0.00 H ATOM 978 HZ3 LYS A 104 24.802 -15.004 14.676 1.00 0.00 H ATOM 979 H LYS A 104 19.254 -18.601 10.696 1.00 0.00 H ATOM 980 N HIS A 105 17.154 -16.023 12.814 1.00 6.98 N ATOM 981 CA HIS A 105 15.940 -15.360 12.369 1.00 6.35 C ATOM 982 C HIS A 105 16.290 -14.383 11.257 1.00 6.96 C ATOM 983 O HIS A 105 17.367 -13.775 11.271 1.00 8.53 O ATOM 984 CB HIS A 105 15.278 -14.613 13.525 1.00 6.70 C ATOM 985 CG HIS A 105 14.938 -15.486 14.687 1.00 5.43 C ATOM 986 ND1 HIS A 105 13.760 -16.194 14.772 1.00 9.14 N ATOM 987 CD2 HIS A 105 15.619 -15.750 15.826 1.00 6.67 C ATOM 988 CE1 HIS A 105 13.739 -16.875 15.907 1.00 8.22 C ATOM 989 NE2 HIS A 105 14.858 -16.627 16.559 1.00 8.24 N ATOM 990 H HIS A 105 17.519 -15.838 13.770 1.00 0.00 H ATOM 991 N ILE A 106 15.383 -14.245 10.291 1.00 5.90 N ATOM 992 CA ILE A 106 15.520 -13.248 9.239 1.00 3.80 C ATOM 993 C ILE A 106 14.551 -12.112 9.463 1.00 3.76 C ATOM 994 O ILE A 106 13.492 -12.295 10.101 1.00 5.59 O ATOM 995 CB ILE A 106 15.324 -13.835 7.821 1.00 4.66 C ATOM 996 CG1 ILE A 106 13.919 -14.379 7.565 1.00 5.38 C ATOM 997 CG2 ILE A 106 16.328 -14.938 7.582 1.00 9.50 C ATOM 998 CD1 ILE A 106 13.673 -14.698 6.083 1.00 7.66 C ATOM 999 H ILE A 106 14.551 -14.869 10.288 1.00 0.00 H ATOM 1000 N ILE A 107 14.927 -10.935 8.976 1.00 4.78 N ATOM 1001 CA ILE A 107 14.082 -9.758 9.065 1.00 5.57 C ATOM 1002 C ILE A 107 13.985 -9.181 7.667 1.00 4.80 C ATOM 1003 O ILE A 107 15.005 -8.856 7.046 1.00 6.16 O ATOM 1004 CB ILE A 107 14.630 -8.711 10.046 1.00 5.92 C ATOM 1005 CG1 ILE A 107 14.708 -9.269 11.475 1.00 6.51 C ATOM 1006 CG2 ILE A 107 13.767 -7.447 10.036 1.00 8.51 C ATOM 1007 CD1 ILE A 107 15.479 -8.356 12.393 1.00 10.09 C ATOM 1008 H ILE A 107 15.856 -10.854 8.516 1.00 0.00 H ATOM 1009 N VAL A 108 12.747 -9.105 7.178 1.00 5.56 N ATOM 1010 CA VAL A 108 12.470 -8.670 5.799 1.00 4.65 C ATOM 1011 C VAL A 108 11.493 -7.512 5.786 1.00 6.44 C ATOM 1012 O VAL A 108 10.659 -7.401 6.670 1.00 6.14 O ATOM 1013 CB VAL A 108 11.907 -9.817 4.938 1.00 6.01 C ATOM 1014 CG1 VAL A 108 12.930 -10.938 4.782 1.00 8.48 C ATOM 1015 CG2 VAL A 108 10.625 -10.372 5.514 1.00 8.06 C ATOM 1016 H VAL A 108 11.948 -9.362 7.793 1.00 0.00 H ATOM 1017 N GLY A 109 11.616 -6.616 4.805 1.00 5.53 N ATOM 1018 CA GLY A 109 10.587 -5.622 4.586 1.00 6.37 C ATOM 1019 C GLY A 109 9.578 -6.129 3.573 1.00 8.90 C ATOM 1020 O GLY A 109 9.954 -6.737 2.568 1.00 6.78 O ATOM 1021 H GLY A 109 12.457 -6.632 4.193 1.00 0.00 H ATOM 1022 N CYS A 110 8.301 -5.839 3.830 1.00 6.56 N ATOM 1023 CA CYS A 110 7.192 -6.351 3.042 1.00 6.42 C ATOM 1024 C CYS A 110 6.372 -5.257 2.399 1.00 5.82 C ATOM 1025 O CYS A 110 6.273 -4.138 2.919 1.00 8.89 O ATOM 1026 CB CYS A 110 6.296 -7.235 3.922 1.00 7.21 C ATOM 1027 SG CYS A 110 7.245 -8.650 4.650 1.00 11.25 S ATOM 1028 H CYS A 110 8.089 -5.215 4.635 1.00 0.00 H ATOM 1029 N GLU A 111 5.790 -5.585 1.246 1.00 5.53 N ATOM 1030 CA GLU A 111 4.942 -4.670 0.503 1.00 8.37 C ATOM 1031 C GLU A 111 4.102 -5.430 -0.506 1.00 8.27 C ATOM 1032 O GLU A 111 4.481 -6.515 -0.937 1.00 6.87 O ATOM 1033 CB GLU A 111 5.796 -3.636 -0.221 1.00 10.33 C ATOM 1034 CG GLU A 111 5.050 -2.556 -0.996 1.00 14.46 C ATOM 1035 CD GLU A 111 5.934 -1.943 -2.066 1.00 47.53 C ATOM 1036 OE1 GLU A 111 6.426 -2.707 -2.931 1.00 49.82 O ATOM 1037 OE2 GLU A 111 6.155 -0.711 -2.038 1.00 45.87 O ATOM 1038 H GLU A 111 5.950 -6.538 0.862 1.00 0.00 H ATOM 1039 N GLY A 112 2.963 -4.845 -0.854 1.00 8.94 N ATOM 1040 CA GLY A 112 2.202 -5.295 -1.996 1.00 8.02 C ATOM 1041 C GLY A 112 0.930 -6.055 -1.694 1.00 7.87 C ATOM 1042 O GLY A 112 0.524 -6.231 -0.567 1.00 9.56 O ATOM 1043 H GLY A 112 2.610 -4.044 -0.292 1.00 0.00 H ATOM 1044 N ASN A 113 0.356 -6.558 -2.784 1.00 9.78 N ATOM 1045 CA ASN A 113 -0.870 -7.340 -2.809 1.00 9.96 C ATOM 1046 C ASN A 113 -0.676 -8.483 -3.787 1.00 9.69 C ATOM 1047 O ASN A 113 -0.825 -8.308 -4.997 1.00 12.64 O ATOM 1048 CB ASN A 113 -2.025 -6.441 -3.246 1.00 9.07 C ATOM 1049 CG ASN A 113 -3.341 -7.170 -3.324 1.00 8.98 C ATOM 1050 OD1 ASN A 113 -3.630 -8.070 -2.543 1.00 10.29 O ATOM 1051 ND2 ASN A 113 -4.157 -6.766 -4.287 1.00 15.54 N ATOM 1052 HD22 ASN A 113 -3.868 -5.998 -4.926 1.00 0.00 H ATOM 1053 HD21 ASN A 113 -5.087 -7.217 -4.404 1.00 0.00 H ATOM 1054 H ASN A 113 0.824 -6.377 -3.695 1.00 0.00 H ATOM 1055 N PRO A 114 -0.295 -9.654 -3.290 1.00 10.18 N ATOM 1056 CA PRO A 114 -0.151 -10.021 -1.882 1.00 8.73 C ATOM 1057 C PRO A 114 1.047 -9.360 -1.191 1.00 9.12 C ATOM 1058 O PRO A 114 1.976 -8.890 -1.841 1.00 9.47 O ATOM 1059 CB PRO A 114 0.016 -11.542 -1.948 1.00 15.55 C ATOM 1060 CG PRO A 114 0.657 -11.768 -3.247 1.00 17.45 C ATOM 1061 CD PRO A 114 0.113 -10.743 -4.186 1.00 15.87 C ATOM 1062 N TYR A 115 0.982 -9.322 0.126 1.00 8.11 N ATOM 1063 CA TYR A 115 1.992 -8.711 0.974 1.00 6.98 C ATOM 1064 C TYR A 115 3.175 -9.645 1.158 1.00 9.72 C ATOM 1065 O TYR A 115 3.078 -10.625 1.880 1.00 10.21 O ATOM 1066 CB TYR A 115 1.370 -8.365 2.312 1.00 8.81 C ATOM 1067 CG TYR A 115 2.067 -7.359 3.193 1.00 10.46 C ATOM 1068 CD1 TYR A 115 2.276 -6.064 2.764 1.00 9.05 C ATOM 1069 CD2 TYR A 115 2.431 -7.687 4.489 1.00 11.37 C ATOM 1070 CE1 TYR A 115 2.849 -5.118 3.601 1.00 11.30 C ATOM 1071 CE2 TYR A 115 2.999 -6.768 5.319 1.00 9.79 C ATOM 1072 CZ TYR A 115 3.215 -5.487 4.878 1.00 11.43 C ATOM 1073 OH TYR A 115 3.792 -4.561 5.720 1.00 14.71 O ATOM 1074 HH TYR A 115 3.875 -3.695 5.248 1.00 0.00 H ATOM 1075 H TYR A 115 0.157 -9.756 0.586 1.00 0.00 H ATOM 1076 N VAL A 116 4.277 -9.357 0.471 1.00 7.91 N ATOM 1077 CA VAL A 116 5.386 -10.302 0.369 1.00 6.40 C ATOM 1078 C VAL A 116 6.714 -9.578 0.548 1.00 6.44 C ATOM 1079 O VAL A 116 6.760 -8.340 0.523 1.00 6.39 O ATOM 1080 CB VAL A 116 5.398 -11.034 -0.979 1.00 7.55 C ATOM 1081 CG1 VAL A 116 4.197 -11.962 -1.116 1.00 10.06 C ATOM 1082 CG2 VAL A 116 5.477 -10.051 -2.120 1.00 6.98 C ATOM 1083 H VAL A 116 4.351 -8.436 -0.006 1.00 0.00 H ATOM 1084 N PRO A 117 7.796 -10.347 0.743 1.00 5.97 N ATOM 1085 CA PRO A 117 9.086 -9.690 0.966 1.00 4.64 C ATOM 1086 C PRO A 117 9.601 -8.992 -0.283 1.00 4.78 C ATOM 1087 O PRO A 117 9.553 -9.519 -1.401 1.00 6.51 O ATOM 1088 CB PRO A 117 10.011 -10.850 1.378 1.00 5.72 C ATOM 1089 CG PRO A 117 9.063 -11.930 1.898 1.00 7.70 C ATOM 1090 CD PRO A 117 7.869 -11.801 0.988 1.00 8.45 C ATOM 1091 N VAL A 118 10.092 -7.778 -0.084 1.00 6.53 N ATOM 1092 CA VAL A 118 10.686 -6.975 -1.167 1.00 4.08 C ATOM 1093 C VAL A 118 12.089 -6.464 -0.804 1.00 6.34 C ATOM 1094 O VAL A 118 12.769 -5.852 -1.616 1.00 8.12 O ATOM 1095 CB VAL A 118 9.802 -5.772 -1.557 1.00 7.66 C ATOM 1096 CG1 VAL A 118 8.464 -6.259 -2.120 1.00 7.39 C ATOM 1097 CG2 VAL A 118 9.599 -4.839 -0.377 1.00 6.83 C ATOM 1098 H VAL A 118 10.057 -7.376 0.874 1.00 0.00 H ATOM 1099 N HIS A 119 12.526 -6.736 0.415 1.00 4.78 N ATOM 1100 CA HIS A 119 13.774 -6.217 0.935 1.00 6.44 C ATOM 1101 C HIS A 119 14.280 -7.147 2.014 1.00 6.04 C ATOM 1102 O HIS A 119 13.494 -7.594 2.829 1.00 5.70 O ATOM 1103 CB HIS A 119 13.537 -4.805 1.486 1.00 6.08 C ATOM 1104 CG HIS A 119 14.586 -4.328 2.441 1.00 5.55 C ATOM 1105 ND1 HIS A 119 15.879 -4.069 2.066 1.00 6.91 N ATOM 1106 CD2 HIS A 119 14.512 -4.037 3.760 1.00 7.57 C ATOM 1107 CE1 HIS A 119 16.572 -3.659 3.118 1.00 6.01 C ATOM 1108 NE2 HIS A 119 15.755 -3.618 4.157 1.00 7.71 N ATOM 1109 H HIS A 119 11.949 -7.349 1.026 1.00 0.00 H ATOM 1110 N PHE A 120 15.567 -7.472 2.003 1.00 4.65 N ATOM 1111 CA PHE A 120 16.159 -8.238 3.104 1.00 4.95 C ATOM 1112 C PHE A 120 16.865 -7.272 4.051 1.00 6.06 C ATOM 1113 O PHE A 120 17.811 -6.605 3.655 1.00 7.28 O ATOM 1114 CB PHE A 120 17.170 -9.305 2.621 1.00 5.85 C ATOM 1115 CG PHE A 120 17.504 -10.334 3.677 1.00 4.78 C ATOM 1116 CD1 PHE A 120 18.438 -10.060 4.649 1.00 6.63 C ATOM 1117 CD2 PHE A 120 16.873 -11.558 3.698 1.00 8.05 C ATOM 1118 CE1 PHE A 120 18.726 -10.979 5.633 1.00 7.86 C ATOM 1119 CE2 PHE A 120 17.159 -12.489 4.691 1.00 6.60 C ATOM 1120 CZ PHE A 120 18.103 -12.175 5.649 1.00 10.20 C ATOM 1121 H PHE A 120 16.163 -7.179 1.203 1.00 0.00 H ATOM 1122 N ASP A 121 16.424 -7.179 5.297 1.00 4.96 N ATOM 1123 CA ASP A 121 16.957 -6.130 6.179 1.00 6.85 C ATOM 1124 C ASP A 121 18.110 -6.556 7.082 1.00 6.82 C ATOM 1125 O ASP A 121 19.056 -5.790 7.276 1.00 8.93 O ATOM 1126 CB ASP A 121 15.861 -5.562 7.063 1.00 8.09 C ATOM 1127 CG ASP A 121 16.193 -4.173 7.575 1.00 8.88 C ATOM 1128 OD1 ASP A 121 16.452 -3.259 6.752 1.00 9.51 O ATOM 1129 OD2 ASP A 121 16.207 -3.985 8.804 1.00 9.84 O ATOM 1130 H ASP A 121 15.706 -7.844 5.649 1.00 0.00 H ATOM 1131 N ALA A 122 18.007 -7.747 7.666 1.00 6.37 N ATOM 1132 CA ALA A 122 18.947 -8.183 8.684 1.00 8.41 C ATOM 1133 C ALA A 122 18.685 -9.639 9.050 1.00 8.03 C ATOM 1134 O ALA A 122 17.610 -10.168 8.775 1.00 7.97 O ATOM 1135 CB ALA A 122 18.818 -7.292 9.931 1.00 8.44 C ATOM 1136 H ALA A 122 17.233 -8.383 7.386 1.00 0.00 H ATOM 1137 N SER A 123 19.683 -10.298 9.632 1.00 8.12 N ATOM 1138 CA SER A 123 19.461 -11.540 10.372 1.00 6.92 C ATOM 1139 C SER A 123 19.842 -11.285 11.820 1.00 11.62 C ATOM 1140 O SER A 123 20.672 -10.422 12.114 1.00 15.39 O ATOM 1141 CB SER A 123 20.264 -12.707 9.785 1.00 11.25 C ATOM 1142 OG SER A 123 21.657 -12.456 9.800 1.00 12.12 O ATOM 1143 HG SER A 123 22.135 -13.232 9.414 1.00 0.00 H ATOM 1144 H SER A 123 20.649 -9.919 9.559 1.00 0.00 H ATOM 1145 N VAL A 124 19.224 -12.024 12.724 1.00 10.20 N ATOM 1146 CA VAL A 124 19.515 -11.846 14.143 1.00 13.54 C ATOM 1147 C VAL A 124 19.524 -13.191 14.865 1.00 25.54 C ATOM 1148 O VAL A 124 20.360 -13.423 15.760 1.00 26.36 O ATOM 1149 CB VAL A 124 18.509 -10.879 14.800 1.00 17.34 C ATOM 1150 CG1 VAL A 124 17.079 -11.390 14.694 1.00 17.16 C ATOM 1151 CG2 VAL A 124 18.883 -10.615 16.254 1.00 19.70 C ATOM 1152 OXT VAL A 124 18.728 -14.104 14.576 1.00 19.32 O ATOM 1153 H VAL A 124 18.527 -12.735 12.423 1.00 0.00 H TER 1154 VAL A 124 ATOM 1155 N MET B 0 15.276 -2.428 -39.193 1.00 16.52 N ATOM 1156 CA MET B 0 15.927 -3.680 -38.723 1.00 13.50 C ATOM 1157 C MET B 0 15.187 -4.885 -39.264 1.00 14.64 C ATOM 1158 O MET B 0 14.082 -4.752 -39.801 1.00 13.26 O ATOM 1159 CB MET B 0 15.975 -3.728 -37.199 1.00 12.31 C ATOM 1160 CG MET B 0 14.670 -3.777 -36.499 1.00 17.02 C ATOM 1161 SD MET B 0 14.880 -3.761 -34.701 1.00 20.19 S ATOM 1162 CE MET B 0 13.169 -3.955 -34.208 1.00 26.50 C ATOM 1163 HN3 MET B 0 14.292 -2.404 -38.858 1.00 0.00 H ATOM 1164 HN2 MET B 0 15.291 -2.400 -40.233 1.00 0.00 H ATOM 1165 HN1 MET B 0 15.792 -1.608 -38.816 1.00 0.00 H ATOM 1166 N LYS B 1 15.811 -6.057 -39.138 1.00 8.50 N ATOM 1167 CA LYS B 1 15.220 -7.310 -39.580 1.00 9.43 C ATOM 1168 C LYS B 1 15.377 -8.390 -38.523 1.00 9.53 C ATOM 1169 O LYS B 1 16.429 -8.465 -37.890 1.00 13.27 O ATOM 1170 CB LYS B 1 15.887 -7.802 -40.863 1.00 10.25 C ATOM 1171 CG LYS B 1 15.927 -6.802 -42.016 1.00 10.48 C ATOM 1172 CD LYS B 1 14.559 -6.619 -42.619 1.00 7.67 C ATOM 1173 CE LYS B 1 14.541 -5.534 -43.710 1.00 9.55 C ATOM 1174 NZ LYS B 1 14.633 -4.150 -43.148 1.00 12.15 N ATOM 1175 HZ1 LYS B 1 13.826 -3.980 -42.515 1.00 0.00 H ATOM 1176 HZ2 LYS B 1 15.520 -4.052 -42.614 1.00 0.00 H ATOM 1177 HZ3 LYS B 1 14.617 -3.460 -43.926 1.00 0.00 H ATOM 1178 H LYS B 1 16.757 -6.075 -38.707 1.00 0.00 H ATOM 1179 N GLU B 2 14.363 -9.228 -38.355 1.00 7.66 N ATOM 1180 CA GLU B 2 14.417 -10.335 -37.404 1.00 8.87 C ATOM 1181 C GLU B 2 14.260 -11.618 -38.199 1.00 6.94 C ATOM 1182 O GLU B 2 13.239 -11.814 -38.857 1.00 8.72 O ATOM 1183 CB GLU B 2 13.338 -10.223 -36.324 1.00 10.13 C ATOM 1184 CG GLU B 2 13.508 -11.296 -35.213 1.00 10.75 C ATOM 1185 CD GLU B 2 12.421 -11.277 -34.137 1.00 14.60 C ATOM 1186 OE1 GLU B 2 11.239 -11.517 -34.470 1.00 14.04 O ATOM 1187 OE2 GLU B 2 12.772 -11.060 -32.946 1.00 20.19 O ATOM 1188 H GLU B 2 13.500 -9.092 -38.920 1.00 0.00 H ATOM 1189 N THR B 3 15.288 -12.466 -38.173 1.00 7.71 N ATOM 1190 CA THR B 3 15.196 -13.769 -38.829 1.00 6.84 C ATOM 1191 C THR B 3 14.379 -14.768 -37.998 1.00 7.70 C ATOM 1192 O THR B 3 14.108 -14.540 -36.812 1.00 7.11 O ATOM 1193 CB THR B 3 16.565 -14.378 -39.061 1.00 9.02 C ATOM 1194 OG1 THR B 3 17.181 -14.647 -37.786 1.00 9.59 O ATOM 1195 CG2 THR B 3 17.442 -13.455 -39.846 1.00 10.57 C ATOM 1196 HG1 THR B 3 18.076 -15.045 -37.931 1.00 0.00 H ATOM 1197 H THR B 3 16.164 -12.198 -37.681 1.00 0.00 H ATOM 1198 N ALA B 4 14.001 -15.893 -38.595 1.00 8.00 N ATOM 1199 CA ALA B 4 13.329 -16.948 -37.843 1.00 7.33 C ATOM 1200 C ALA B 4 14.192 -17.472 -36.718 1.00 8.18 C ATOM 1201 O ALA B 4 13.653 -17.761 -35.647 1.00 7.47 O ATOM 1202 CB ALA B 4 12.904 -18.074 -38.769 1.00 8.06 C ATOM 1203 H ALA B 4 14.186 -16.023 -39.610 1.00 0.00 H ATOM 1204 N ALA B 5 15.494 -17.610 -36.936 1.00 8.47 N ATOM 1205 CA ALA B 5 16.391 -18.058 -35.865 1.00 5.46 C ATOM 1206 C ALA B 5 16.367 -17.088 -34.704 1.00 8.59 C ATOM 1207 O ALA B 5 16.337 -17.505 -33.534 1.00 7.14 O ATOM 1208 CB ALA B 5 17.805 -18.233 -36.380 1.00 6.84 C ATOM 1209 H ALA B 5 15.883 -17.398 -37.877 1.00 0.00 H ATOM 1210 N ALA B 6 16.352 -15.800 -35.005 1.00 7.97 N ATOM 1211 CA ALA B 6 16.330 -14.771 -33.955 1.00 7.95 C ATOM 1212 C ALA B 6 15.018 -14.778 -33.213 1.00 7.46 C ATOM 1213 O ALA B 6 14.994 -14.582 -31.997 1.00 7.96 O ATOM 1214 CB ALA B 6 16.592 -13.393 -34.544 1.00 8.97 C ATOM 1215 H ALA B 6 16.356 -15.510 -36.004 1.00 0.00 H ATOM 1216 N LYS B 7 13.923 -14.990 -33.923 1.00 5.96 N ATOM 1217 CA LYS B 7 12.625 -15.087 -33.280 1.00 6.05 C ATOM 1218 C LYS B 7 12.581 -16.275 -32.295 1.00 6.16 C ATOM 1219 O LYS B 7 11.980 -16.182 -31.221 1.00 7.80 O ATOM 1220 CB LYS B 7 11.520 -15.212 -34.340 1.00 9.85 C ATOM 1221 CG LYS B 7 10.104 -15.348 -33.789 1.00 10.93 C ATOM 1222 CD LYS B 7 9.057 -15.171 -34.895 1.00 14.95 C ATOM 1223 CE LYS B 7 7.640 -15.249 -34.366 1.00 28.04 C ATOM 1224 NZ LYS B 7 6.634 -15.033 -35.445 1.00 54.76 N ATOM 1225 HZ1 LYS B 7 6.775 -14.092 -35.866 1.00 0.00 H ATOM 1226 HZ2 LYS B 7 6.751 -15.762 -36.177 1.00 0.00 H ATOM 1227 HZ3 LYS B 7 5.677 -15.094 -35.042 1.00 0.00 H ATOM 1228 H LYS B 7 13.992 -15.089 -34.956 1.00 0.00 H ATOM 1229 N PHE B 8 13.163 -17.412 -32.679 1.00 5.28 N ATOM 1230 CA PHE B 8 13.264 -18.540 -31.766 1.00 4.58 C ATOM 1231 C PHE B 8 14.035 -18.153 -30.519 1.00 5.81 C ATOM 1232 O PHE B 8 13.627 -18.522 -29.408 1.00 6.12 O ATOM 1233 CB PHE B 8 13.923 -19.732 -32.453 1.00 7.68 C ATOM 1234 CG PHE B 8 14.197 -20.885 -31.524 1.00 5.83 C ATOM 1235 CD1 PHE B 8 15.357 -20.947 -30.794 1.00 4.92 C ATOM 1236 CD2 PHE B 8 13.295 -21.920 -31.416 1.00 7.63 C ATOM 1237 CE1 PHE B 8 15.600 -22.014 -29.938 1.00 6.15 C ATOM 1238 CE2 PHE B 8 13.531 -22.962 -30.544 1.00 6.68 C ATOM 1239 CZ PHE B 8 14.692 -23.010 -29.826 1.00 7.65 C ATOM 1240 H PHE B 8 13.549 -17.493 -33.641 1.00 0.00 H ATOM 1241 N GLU B 9 15.118 -17.416 -30.655 1.00 5.56 N ATOM 1242 CA GLU B 9 15.885 -16.977 -29.480 1.00 4.70 C ATOM 1243 C GLU B 9 15.015 -16.107 -28.568 1.00 5.68 C ATOM 1244 O GLU B 9 14.965 -16.310 -27.321 1.00 6.33 O ATOM 1245 CB GLU B 9 17.135 -16.226 -29.895 1.00 7.63 C ATOM 1246 CG GLU B 9 18.169 -17.103 -30.607 1.00 7.26 C ATOM 1247 CD GLU B 9 19.526 -16.409 -30.792 1.00 23.72 C ATOM 1248 OE1 GLU B 9 20.154 -16.544 -31.874 1.00 16.80 O ATOM 1249 OE2 GLU B 9 19.979 -15.747 -29.834 1.00 16.97 O ATOM 1250 H GLU B 9 15.435 -17.141 -31.607 1.00 0.00 H ATOM 1251 N ARG B 10 14.327 -15.144 -29.150 1.00 6.64 N ATOM 1252 CA ARG B 10 13.463 -14.263 -28.375 1.00 5.71 C ATOM 1253 C ARG B 10 12.335 -15.041 -27.696 1.00 5.54 C ATOM 1254 O ARG B 10 11.989 -14.767 -26.542 1.00 7.37 O ATOM 1255 CB ARG B 10 12.890 -13.171 -29.270 1.00 7.39 C ATOM 1256 CG ARG B 10 11.884 -12.287 -28.572 1.00 7.32 C ATOM 1257 CD ARG B 10 11.499 -11.070 -29.426 1.00 10.00 C ATOM 1258 NE ARG B 10 10.975 -11.446 -30.738 1.00 10.89 N ATOM 1259 CZ ARG B 10 9.736 -11.860 -30.956 1.00 10.54 C ATOM 1260 NH1 ARG B 10 8.849 -11.997 -29.962 1.00 11.18 N ATOM 1261 NH2 ARG B 10 9.357 -12.171 -32.187 1.00 14.15 N ATOM 1262 HE ARG B 10 11.617 -11.384 -31.554 1.00 0.00 H ATOM 1263 HH12 ARG B 10 7.884 -12.325 -30.168 1.00 0.00 H ATOM 1264 HH11 ARG B 10 9.126 -11.776 -28.984 1.00 0.00 H ATOM 1265 HH22 ARG B 10 8.386 -12.497 -32.365 1.00 0.00 H ATOM 1266 HH21 ARG B 10 10.031 -12.089 -32.975 1.00 0.00 H ATOM 1267 H ARG B 10 14.402 -15.011 -30.179 1.00 0.00 H ATOM 1268 N GLN B 11 11.703 -15.969 -28.398 1.00 5.18 N ATOM 1269 CA GLN B 11 10.545 -16.660 -27.854 1.00 5.66 C ATOM 1270 C GLN B 11 10.873 -17.814 -26.894 1.00 7.55 C ATOM 1271 O GLN B 11 10.027 -18.195 -26.101 1.00 8.20 O ATOM 1272 CB GLN B 11 9.659 -17.199 -29.001 1.00 9.06 C ATOM 1273 CG GLN B 11 9.048 -16.084 -29.848 1.00 9.90 C ATOM 1274 CD GLN B 11 8.065 -16.569 -30.884 1.00 14.46 C ATOM 1275 OE1 GLN B 11 8.204 -17.658 -31.431 1.00 14.57 O ATOM 1276 NE2 GLN B 11 7.059 -15.742 -31.168 1.00 20.44 N ATOM 1277 HE22 GLN B 11 6.983 -14.828 -30.678 1.00 0.00 H ATOM 1278 HE21 GLN B 11 6.350 -16.011 -31.880 1.00 0.00 H ATOM 1279 H GLN B 11 12.040 -16.207 -29.353 1.00 0.00 H ATOM 1280 N HIS B 12 12.073 -18.383 -26.978 1.00 7.34 N ATOM 1281 CA HIS B 12 12.352 -19.656 -26.303 1.00 6.08 C ATOM 1282 C HIS B 12 13.699 -19.804 -25.607 1.00 8.65 C ATOM 1283 O HIS B 12 13.907 -20.823 -24.955 1.00 7.86 O ATOM 1284 CB HIS B 12 12.215 -20.814 -27.286 1.00 4.67 C ATOM 1285 CG HIS B 12 10.862 -20.925 -27.877 1.00 7.30 C ATOM 1286 ND1 HIS B 12 9.762 -21.301 -27.137 1.00 8.58 N ATOM 1287 CD2 HIS B 12 10.398 -20.659 -29.124 1.00 8.83 C ATOM 1288 CE1 HIS B 12 8.687 -21.283 -27.900 1.00 8.85 C ATOM 1289 NE2 HIS B 12 9.047 -20.909 -29.116 1.00 11.19 N ATOM 1290 H HIS B 12 12.823 -17.919 -27.529 1.00 0.00 H ATOM 1291 N MET B 13 14.596 -18.830 -25.700 1.00 4.98 N ATOM 1292 CA MET B 13 15.910 -18.950 -25.059 1.00 4.67 C ATOM 1293 C MET B 13 16.092 -17.976 -23.906 1.00 7.76 C ATOM 1294 O MET B 13 15.828 -16.793 -24.049 1.00 9.98 O ATOM 1295 CB MET B 13 17.047 -18.714 -26.058 1.00 8.70 C ATOM 1296 CG MET B 13 17.219 -19.748 -27.132 1.00 9.53 C ATOM 1297 SD MET B 13 17.756 -21.326 -26.514 1.00 10.09 S ATOM 1298 CE MET B 13 19.227 -20.847 -25.632 1.00 15.33 C ATOM 1299 H MET B 13 14.364 -17.969 -26.235 1.00 0.00 H ATOM 1300 N ASP B 14 16.577 -18.471 -22.764 1.00 7.61 N ATOM 1301 CA ASP B 14 17.139 -17.585 -21.734 1.00 8.47 C ATOM 1302 C ASP B 14 18.390 -18.175 -21.112 1.00 9.31 C ATOM 1303 O ASP B 14 18.351 -18.867 -20.078 1.00 11.41 O ATOM 1304 CB ASP B 14 16.127 -17.273 -20.649 1.00 11.62 C ATOM 1305 CG ASP B 14 16.639 -16.205 -19.676 1.00 15.36 C ATOM 1306 OD1 ASP B 14 17.765 -15.677 -19.876 1.00 12.53 O ATOM 1307 OD2 ASP B 14 15.912 -15.867 -18.721 1.00 16.12 O ATOM 1308 H ASP B 14 16.557 -19.498 -22.601 1.00 0.00 H ATOM 1309 N SER B 15 19.507 -17.853 -21.727 1.00 9.02 N ATOM 1310 CA SER B 15 20.802 -18.365 -21.333 1.00 11.26 C ATOM 1311 C SER B 15 21.377 -17.665 -20.098 1.00 14.49 C ATOM 1312 O SER B 15 22.422 -18.075 -19.592 1.00 18.38 O ATOM 1313 CB SER B 15 21.771 -18.206 -22.501 1.00 14.02 C ATOM 1314 OG SER B 15 21.339 -18.942 -23.632 1.00 12.30 O ATOM 1315 HG SER B 15 21.282 -19.902 -23.397 1.00 0.00 H ATOM 1316 H SER B 15 19.457 -17.200 -22.535 1.00 0.00 H ATOM 1317 N SER B 16 20.711 -16.624 -19.611 1.00 10.96 N ATOM 1318 CA SER B 16 21.321 -15.788 -18.579 1.00 15.45 C ATOM 1319 C SER B 16 21.039 -16.290 -17.172 1.00 19.48 C ATOM 1320 O SER B 16 21.548 -15.711 -16.192 1.00 18.93 O ATOM 1321 CB SER B 16 20.832 -14.339 -18.708 1.00 17.13 C ATOM 1322 OG SER B 16 19.462 -14.239 -18.366 1.00 23.67 O ATOM 1323 HG SER B 16 18.929 -14.812 -18.973 1.00 0.00 H ATOM 1324 H SER B 16 19.757 -16.404 -19.963 1.00 0.00 H ATOM 1325 N THR B 17 20.249 -17.354 -17.077 1.00 12.18 N ATOM 1326 CA THR B 17 19.803 -17.905 -15.809 1.00 12.33 C ATOM 1327 C THR B 17 19.875 -19.440 -15.874 1.00 13.89 C ATOM 1328 O THR B 17 19.714 -20.005 -16.947 1.00 12.92 O ATOM 1329 CB THR B 17 18.364 -17.441 -15.488 1.00 17.31 C ATOM 1330 OG1 THR B 17 17.473 -17.798 -16.557 1.00 13.85 O ATOM 1331 CG2 THR B 17 18.322 -15.938 -15.328 1.00 18.57 C ATOM 1332 HG1 THR B 17 17.477 -18.781 -16.674 1.00 0.00 H ATOM 1333 H THR B 17 19.934 -17.815 -17.954 1.00 0.00 H ATOM 1334 N SER B 18 20.110 -20.108 -14.738 1.00 14.80 N ATOM 1335 CA SER B 18 20.209 -21.574 -14.748 1.00 13.39 C ATOM 1336 C SER B 18 18.828 -22.206 -14.615 1.00 10.59 C ATOM 1337 O SER B 18 18.656 -23.386 -14.940 1.00 10.85 O ATOM 1338 CB SER B 18 21.134 -22.071 -13.626 1.00 16.69 C ATOM 1339 OG SER B 18 20.521 -21.957 -12.363 1.00 13.72 O ATOM 1340 HG SER B 18 21.142 -22.285 -11.665 1.00 0.00 H ATOM 1341 H SER B 18 20.223 -19.587 -13.845 1.00 0.00 H ATOM 1342 N ALA B 19 17.857 -21.413 -14.167 1.00 10.62 N ATOM 1343 CA ALA B 19 16.470 -21.824 -13.971 1.00 10.18 C ATOM 1344 C ALA B 19 15.641 -20.553 -13.751 1.00 8.42 C ATOM 1345 O ALA B 19 16.219 -19.480 -13.599 1.00 11.70 O ATOM 1346 CB ALA B 19 16.360 -22.774 -12.780 1.00 13.10 C ATOM 1347 H ALA B 19 18.105 -20.429 -13.940 1.00 0.00 H ATOM 1348 N ALA B 20 14.319 -20.678 -13.758 1.00 10.05 N ATOM 1349 CA ALA B 20 13.437 -19.526 -13.524 1.00 11.27 C ATOM 1350 C ALA B 20 13.884 -18.823 -12.253 1.00 12.49 C ATOM 1351 O ALA B 20 14.039 -19.470 -11.216 1.00 15.16 O ATOM 1352 CB ALA B 20 11.985 -19.964 -13.429 1.00 14.24 C ATOM 1353 H ALA B 20 13.898 -21.613 -13.933 1.00 0.00 H ATOM 1354 N SER B 21 13.990 -17.492 -12.328 1.00 13.94 N ATOM 1355 CA SER B 21 14.633 -16.738 -11.260 1.00 14.44 C ATOM 1356 C SER B 21 13.682 -16.336 -10.141 1.00 12.87 C ATOM 1357 O SER B 21 14.130 -15.946 -9.058 1.00 14.99 O ATOM 1358 CB SER B 21 15.301 -15.491 -11.828 1.00 20.18 C ATOM 1359 OG SER B 21 14.411 -14.783 -12.657 1.00 18.71 O ATOM 1360 HG SER B 21 13.618 -14.510 -12.131 1.00 0.00 H ATOM 1361 H SER B 21 13.610 -16.991 -13.156 1.00 0.00 H ATOM 1362 N SER B 22 12.386 -16.449 -10.385 1.00 13.16 N ATOM 1363 CA SER B 22 11.373 -16.170 -9.380 1.00 11.05 C ATOM 1364 C SER B 22 10.055 -16.781 -9.788 1.00 10.69 C ATOM 1365 O SER B 22 9.889 -17.245 -10.920 1.00 10.96 O ATOM 1366 CB SER B 22 11.158 -14.673 -9.190 1.00 8.94 C ATOM 1367 OG SER B 22 10.424 -14.153 -10.278 1.00 14.08 O ATOM 1368 HG SER B 22 10.926 -14.308 -11.117 1.00 0.00 H ATOM 1369 H SER B 22 12.080 -16.749 -11.333 1.00 0.00 H ATOM 1370 N SER B 23 9.095 -16.766 -8.876 1.00 9.83 N ATOM 1371 CA SER B 23 7.741 -17.195 -9.197 1.00 10.88 C ATOM 1372 C SER B 23 7.025 -16.275 -10.184 1.00 9.70 C ATOM 1373 O SER B 23 5.996 -16.683 -10.743 1.00 12.79 O ATOM 1374 CB SER B 23 6.905 -17.319 -7.917 1.00 14.33 C ATOM 1375 OG SER B 23 6.827 -16.096 -7.225 1.00 14.94 O ATOM 1376 HG SER B 23 7.738 -15.801 -6.975 1.00 0.00 H ATOM 1377 H SER B 23 9.312 -16.442 -7.912 1.00 0.00 H ATOM 1378 N ASN B 24 7.559 -15.067 -10.406 1.00 9.79 N ATOM 1379 CA ASN B 24 6.974 -14.109 -11.353 1.00 8.50 C ATOM 1380 C ASN B 24 7.658 -14.151 -12.703 1.00 6.94 C ATOM 1381 O ASN B 24 7.335 -13.336 -13.564 1.00 9.03 O ATOM 1382 CB ASN B 24 7.048 -12.663 -10.839 1.00 11.37 C ATOM 1383 CG ASN B 24 5.981 -11.768 -11.448 1.00 13.71 C ATOM 1384 OD1 ASN B 24 4.808 -12.155 -11.522 1.00 11.92 O ATOM 1385 ND2 ASN B 24 6.383 -10.583 -11.911 1.00 13.60 N ATOM 1386 HD22 ASN B 24 7.381 -10.303 -11.825 1.00 0.00 H ATOM 1387 HD21 ASN B 24 5.699 -9.940 -12.357 1.00 0.00 H ATOM 1388 H ASN B 24 8.420 -14.797 -9.889 1.00 0.00 H ATOM 1389 N TYR B 25 8.580 -15.094 -12.889 1.00 8.64 N ATOM 1390 CA TYR B 25 9.424 -15.111 -14.079 1.00 6.52 C ATOM 1391 C TYR B 25 8.624 -15.181 -15.357 1.00 7.83 C ATOM 1392 O TYR B 25 8.906 -14.479 -16.314 1.00 8.72 O ATOM 1393 CB TYR B 25 10.382 -16.293 -13.989 1.00 8.91 C ATOM 1394 CG TYR B 25 11.261 -16.527 -15.199 1.00 10.72 C ATOM 1395 CD1 TYR B 25 12.452 -15.861 -15.329 1.00 10.06 C ATOM 1396 CD2 TYR B 25 10.902 -17.435 -16.182 1.00 12.89 C ATOM 1397 CE1 TYR B 25 13.280 -16.086 -16.419 1.00 10.64 C ATOM 1398 CE2 TYR B 25 11.720 -17.667 -17.266 1.00 12.95 C ATOM 1399 CZ TYR B 25 12.901 -16.998 -17.373 1.00 11.64 C ATOM 1400 OH TYR B 25 13.720 -17.214 -18.469 1.00 16.40 O ATOM 1401 HH TYR B 25 14.531 -16.652 -18.389 1.00 0.00 H ATOM 1402 H TYR B 25 8.701 -15.835 -12.170 1.00 0.00 H ATOM 1403 N CYS B 26 7.617 -16.032 -15.394 1.00 8.89 N ATOM 1404 CA CYS B 26 6.849 -16.170 -16.616 1.00 7.67 C ATOM 1405 C CYS B 26 6.045 -14.927 -16.923 1.00 11.49 C ATOM 1406 O CYS B 26 6.011 -14.509 -18.077 1.00 10.71 O ATOM 1407 CB CYS B 26 5.938 -17.386 -16.548 1.00 13.19 C ATOM 1408 SG CYS B 26 6.883 -18.913 -16.820 1.00 13.94 S ATOM 1409 H CYS B 26 7.376 -16.598 -14.555 1.00 0.00 H ATOM 1410 N ASN B 27 5.392 -14.318 -15.930 1.00 8.78 N ATOM 1411 CA ASN B 27 4.720 -13.048 -16.181 1.00 9.62 C ATOM 1412 C ASN B 27 5.677 -12.029 -16.770 1.00 9.73 C ATOM 1413 O ASN B 27 5.349 -11.336 -17.734 1.00 12.66 O ATOM 1414 CB ASN B 27 4.103 -12.494 -14.892 1.00 9.72 C ATOM 1415 CG ASN B 27 2.945 -13.296 -14.424 1.00 10.83 C ATOM 1416 OD1 ASN B 27 2.173 -13.790 -15.218 1.00 15.06 O ATOM 1417 ND2 ASN B 27 2.807 -13.443 -13.113 1.00 13.47 N ATOM 1418 HD22 ASN B 27 3.491 -13.003 -12.465 1.00 0.00 H ATOM 1419 HD21 ASN B 27 2.014 -13.999 -12.733 1.00 0.00 H ATOM 1420 H ASN B 27 5.363 -14.747 -14.983 1.00 0.00 H ATOM 1421 N GLN B 28 6.862 -11.920 -16.182 1.00 8.60 N ATOM 1422 CA GLN B 28 7.858 -10.964 -16.658 1.00 10.11 C ATOM 1423 C GLN B 28 8.353 -11.259 -18.066 1.00 7.96 C ATOM 1424 O GLN B 28 8.417 -10.347 -18.895 1.00 11.65 O ATOM 1425 CB GLN B 28 9.026 -10.920 -15.684 1.00 12.61 C ATOM 1426 CG GLN B 28 8.497 -10.585 -14.316 1.00 20.63 C ATOM 1427 CD GLN B 28 9.522 -10.174 -13.299 1.00 23.18 C ATOM 1428 OE1 GLN B 28 9.166 -9.511 -12.327 1.00 8.46 O ATOM 1429 NE2 GLN B 28 10.778 -10.593 -13.479 1.00 18.35 N ATOM 1430 HE22 GLN B 28 11.024 -11.152 -14.321 1.00 0.00 H ATOM 1431 HE21 GLN B 28 11.509 -10.360 -12.777 1.00 0.00 H ATOM 1432 H GLN B 28 7.085 -12.527 -15.367 1.00 0.00 H ATOM 1433 N MET B 29 8.680 -12.518 -18.342 1.00 7.10 N ATOM 1434 CA MET B 29 9.247 -12.890 -19.633 1.00 10.96 C ATOM 1435 C MET B 29 8.226 -12.917 -20.769 1.00 9.56 C ATOM 1436 O MET B 29 8.547 -12.533 -21.898 1.00 11.00 O ATOM 1437 CB MET B 29 9.920 -14.252 -19.527 1.00 9.34 C ATOM 1438 CG MET B 29 11.119 -14.278 -18.622 1.00 13.45 C ATOM 1439 SD MET B 29 12.526 -13.471 -19.407 1.00 21.29 S ATOM 1440 CE MET B 29 12.920 -14.702 -20.652 1.00 20.90 C ATOM 1441 H MET B 29 8.528 -13.253 -17.622 1.00 0.00 H ATOM 1442 N MET B 30 7.014 -13.372 -20.513 1.00 7.47 N ATOM 1443 CA MET B 30 6.004 -13.368 -21.557 1.00 7.15 C ATOM 1444 C MET B 30 5.743 -11.929 -22.014 1.00 14.03 C ATOM 1445 O MET B 30 5.539 -11.674 -23.201 1.00 13.13 O ATOM 1446 CB MET B 30 4.710 -14.046 -21.076 1.00 10.66 C ATOM 1447 CG MET B 30 4.880 -15.551 -20.767 1.00 9.82 C ATOM 1448 SD MET B 30 5.335 -16.554 -22.181 1.00 11.07 S ATOM 1449 CE MET B 30 3.796 -16.665 -23.069 1.00 12.49 C ATOM 1450 H MET B 30 6.782 -13.733 -19.565 1.00 0.00 H ATOM 1451 N LYS B 31 5.782 -10.968 -21.099 1.00 10.70 N ATOM 1452 CA LYS B 31 5.630 -9.582 -21.515 1.00 12.81 C ATOM 1453 C LYS B 31 6.905 -9.018 -22.166 1.00 11.71 C ATOM 1454 O LYS B 31 6.821 -8.411 -23.244 1.00 15.61 O ATOM 1455 CB LYS B 31 5.198 -8.698 -20.336 1.00 17.53 C ATOM 1456 CG LYS B 31 6.158 -8.639 -19.209 1.00 31.74 C ATOM 1457 H LYS B 31 5.920 -11.203 -20.095 1.00 0.00 H ATOM 1458 N SER B 32 8.073 -9.232 -21.570 1.00 11.99 N ATOM 1459 CA SER B 32 9.288 -8.590 -22.074 1.00 9.75 C ATOM 1460 C SER B 32 9.746 -9.148 -23.422 1.00 10.96 C ATOM 1461 O SER B 32 10.387 -8.413 -24.212 1.00 13.96 O ATOM 1462 CB SER B 32 10.420 -8.700 -21.050 1.00 14.11 C ATOM 1463 OG SER B 32 10.907 -10.018 -20.903 1.00 11.96 O ATOM 1464 HG SER B 32 11.634 -10.027 -20.231 1.00 0.00 H ATOM 1465 H SER B 32 8.124 -9.859 -20.742 1.00 0.00 H ATOM 1466 N ARG B 33 9.439 -10.410 -23.701 1.00 11.08 N ATOM 1467 CA ARG B 33 9.768 -11.001 -24.995 1.00 10.89 C ATOM 1468 C ARG B 33 8.652 -10.799 -26.038 1.00 16.40 C ATOM 1469 O ARG B 33 8.711 -11.361 -27.134 1.00 15.79 O ATOM 1470 CB ARG B 33 10.084 -12.477 -24.809 1.00 8.07 C ATOM 1471 CG ARG B 33 11.306 -12.742 -23.896 1.00 8.48 C ATOM 1472 CD ARG B 33 12.623 -12.191 -24.411 1.00 6.91 C ATOM 1473 NE ARG B 33 13.778 -12.607 -23.602 1.00 9.15 N ATOM 1474 CZ ARG B 33 14.409 -13.773 -23.721 1.00 9.15 C ATOM 1475 NH1 ARG B 33 13.974 -14.688 -24.572 1.00 6.94 N ATOM 1476 NH2 ARG B 33 15.455 -14.054 -22.949 1.00 9.21 N ATOM 1477 HE ARG B 33 14.128 -11.941 -22.884 1.00 0.00 H ATOM 1478 HH12 ARG B 33 14.473 -15.596 -24.659 1.00 0.00 H ATOM 1479 HH11 ARG B 33 13.133 -14.499 -25.154 1.00 0.00 H ATOM 1480 HH22 ARG B 33 15.943 -14.967 -23.047 1.00 0.00 H ATOM 1481 HH21 ARG B 33 15.784 -13.361 -22.247 1.00 0.00 H ATOM 1482 H ARG B 33 8.955 -10.988 -22.984 1.00 0.00 H ATOM 1483 N ASN B 34 7.648 -9.989 -25.692 1.00 12.52 N ATOM 1484 CA ASN B 34 6.582 -9.583 -26.614 1.00 15.36 C ATOM 1485 C ASN B 34 5.742 -10.757 -27.120 1.00 18.07 C ATOM 1486 O ASN B 34 5.425 -10.867 -28.311 1.00 21.49 O ATOM 1487 CB ASN B 34 7.175 -8.799 -27.789 1.00 17.92 C ATOM 1488 CG ASN B 34 7.804 -7.492 -27.346 1.00 17.76 C ATOM 1489 OD1 ASN B 34 7.376 -6.893 -26.360 1.00 30.82 O ATOM 1490 ND2 ASN B 34 8.824 -7.041 -28.071 1.00 25.12 N ATOM 1491 HD22 ASN B 34 9.153 -7.580 -28.897 1.00 0.00 H ATOM 1492 HD21 ASN B 34 9.292 -6.149 -27.812 1.00 0.00 H ATOM 1493 H ASN B 34 7.621 -9.627 -24.717 1.00 0.00 H ATOM 1494 N LEU B 35 5.342 -11.615 -26.196 1.00 13.19 N ATOM 1495 CA LEU B 35 4.550 -12.803 -26.495 1.00 15.56 C ATOM 1496 C LEU B 35 3.076 -12.615 -26.142 1.00 24.30 C ATOM 1497 O LEU B 35 2.279 -13.546 -26.269 1.00 35.39 O ATOM 1498 CB LEU B 35 5.093 -14.018 -25.729 1.00 14.93 C ATOM 1499 CG LEU B 35 6.356 -14.676 -26.287 1.00 15.50 C ATOM 1500 CD1 LEU B 35 6.856 -15.770 -25.378 1.00 14.92 C ATOM 1501 CD2 LEU B 35 6.099 -15.240 -27.673 1.00 18.07 C ATOM 1502 H LEU B 35 5.605 -11.433 -25.206 1.00 0.00 H ATOM 1503 N THR B 36 2.714 -11.421 -25.680 1.00 19.06 N ATOM 1504 CA THR B 36 1.338 -11.162 -25.227 1.00 22.88 C ATOM 1505 C THR B 36 0.747 -9.904 -25.847 1.00 29.01 C ATOM 1506 O THR B 36 -0.132 -9.273 -25.259 1.00 30.74 O ATOM 1507 CB THR B 36 1.267 -11.035 -23.691 1.00 20.64 C ATOM 1508 OG1 THR B 36 2.067 -9.935 -23.236 1.00 22.61 O ATOM 1509 CG2 THR B 36 1.761 -12.303 -23.026 1.00 25.23 C ATOM 1510 HG1 THR B 36 2.008 -9.871 -22.250 1.00 0.00 H ATOM 1511 H THR B 36 3.417 -10.656 -25.638 1.00 0.00 H ATOM 1512 N LYS B 37 1.224 -9.556 -27.039 1.00 28.48 N ATOM 1513 CA LYS B 37 0.806 -8.333 -27.721 1.00 52.08 C ATOM 1514 C LYS B 37 -0.683 -8.290 -28.092 1.00 45.04 C ATOM 1515 O LYS B 37 -1.349 -7.289 -27.833 1.00 48.43 O ATOM 1516 CB LYS B 37 1.644 -8.137 -28.985 1.00 44.57 C ATOM 1517 H LYS B 37 1.919 -10.176 -27.502 1.00 0.00 H ATOM 1518 N ASP B 38 -1.199 -9.367 -28.684 1.00 38.84 N ATOM 1519 CA ASP B 38 -2.544 -9.364 -29.274 1.00 41.78 C ATOM 1520 C ASP B 38 -3.523 -10.311 -28.580 1.00 45.43 C ATOM 1521 O ASP B 38 -4.738 -10.166 -28.694 1.00 48.86 O ATOM 1522 CB ASP B 38 -2.454 -9.742 -30.753 1.00 58.52 C ATOM 1523 CG ASP B 38 -1.073 -9.495 -31.335 1.00 61.37 C ATOM 1524 OD1 ASP B 38 -0.181 -10.346 -31.123 1.00 66.20 O ATOM 1525 OD2 ASP B 38 -0.879 -8.454 -32.002 1.00 70.44 O ATOM 1526 H ASP B 38 -0.631 -10.237 -28.730 1.00 0.00 H ATOM 1527 N ARG B 39 -2.976 -11.292 -27.879 1.00 30.59 N ATOM 1528 CA ARG B 39 -3.752 -12.276 -27.146 1.00 30.36 C ATOM 1529 C ARG B 39 -2.784 -12.933 -26.172 1.00 24.83 C ATOM 1530 O ARG B 39 -1.575 -12.765 -26.311 1.00 27.18 O ATOM 1531 CB ARG B 39 -4.380 -13.309 -28.088 1.00 33.21 C ATOM 1532 CG ARG B 39 -3.374 -13.999 -29.009 1.00 36.63 C ATOM 1533 CD ARG B 39 -3.980 -15.201 -29.737 1.00 35.49 C ATOM 1534 NE ARG B 39 -4.984 -14.810 -30.723 1.00 43.91 N ATOM 1535 HE ARG B 39 -5.212 -13.805 -30.862 1.00 0.00 H ATOM 1536 H ARG B 39 -1.939 -11.361 -27.852 1.00 0.00 H ATOM 1537 N CYS B 40 -3.297 -13.667 -25.194 1.00 20.15 N ATOM 1538 CA CYS B 40 -2.416 -14.375 -24.278 1.00 20.29 C ATOM 1539 C CYS B 40 -1.957 -15.657 -24.950 1.00 24.73 C ATOM 1540 O CYS B 40 -2.776 -16.489 -25.312 1.00 31.78 O ATOM 1541 CB CYS B 40 -3.124 -14.690 -22.966 1.00 19.48 C ATOM 1542 SG CYS B 40 -3.756 -13.217 -22.079 1.00 23.22 S ATOM 1543 H CYS B 40 -4.329 -13.737 -25.082 1.00 0.00 H ATOM 1544 N LYS B 41 -0.655 -15.819 -25.144 1.00 22.60 N ATOM 1545 CA LYS B 41 -0.152 -17.119 -25.558 1.00 15.52 C ATOM 1546 C LYS B 41 -0.354 -18.101 -24.399 1.00 23.15 C ATOM 1547 O LYS B 41 0.127 -17.836 -23.307 1.00 19.07 O ATOM 1548 CB LYS B 41 1.312 -17.045 -25.956 1.00 19.23 C ATOM 1549 CG LYS B 41 1.849 -18.378 -26.415 1.00 17.12 C ATOM 1550 CD LYS B 41 3.215 -18.238 -27.038 1.00 18.02 C ATOM 1551 CE LYS B 41 3.588 -19.495 -27.794 1.00 22.05 C ATOM 1552 NZ LYS B 41 4.891 -19.368 -28.487 1.00 18.29 N ATOM 1553 HZ1 LYS B 41 4.845 -18.583 -29.168 1.00 0.00 H ATOM 1554 HZ2 LYS B 41 5.637 -19.178 -27.788 1.00 0.00 H ATOM 1555 HZ3 LYS B 41 5.102 -20.253 -28.990 1.00 0.00 H ATOM 1556 H LYS B 41 -0.000 -15.024 -25.001 1.00 0.00 H ATOM 1557 N PRO B 42 -1.078 -19.218 -24.610 1.00 18.73 N ATOM 1558 CA PRO B 42 -1.461 -20.108 -23.503 1.00 19.64 C ATOM 1559 C PRO B 42 -0.323 -20.839 -22.820 1.00 15.83 C ATOM 1560 O PRO B 42 -0.340 -21.034 -21.604 1.00 17.93 O ATOM 1561 CB PRO B 42 -2.377 -21.141 -24.177 1.00 28.47 C ATOM 1562 CG PRO B 42 -2.790 -20.543 -25.431 1.00 28.46 C ATOM 1563 CD PRO B 42 -1.720 -19.624 -25.873 1.00 24.43 C ATOM 1564 N VAL B 43 0.651 -21.262 -23.618 1.00 15.72 N ATOM 1565 CA VAL B 43 1.814 -21.951 -23.086 1.00 17.99 C ATOM 1566 C VAL B 43 3.044 -21.513 -23.861 1.00 13.05 C ATOM 1567 O VAL B 43 2.975 -21.185 -25.038 1.00 16.93 O ATOM 1568 CB VAL B 43 1.669 -23.477 -23.156 1.00 24.68 C ATOM 1569 CG1 VAL B 43 0.482 -23.933 -22.315 1.00 32.88 C ATOM 1570 CG2 VAL B 43 1.511 -23.935 -24.592 1.00 36.33 C ATOM 1571 H VAL B 43 0.580 -21.097 -24.642 1.00 0.00 H ATOM 1572 N ASN B 44 4.179 -21.513 -23.185 1.00 10.99 N ATOM 1573 CA ASN B 44 5.443 -21.192 -23.826 1.00 10.29 C ATOM 1574 C ASN B 44 6.591 -21.726 -22.997 1.00 12.05 C ATOM 1575 O ASN B 44 6.605 -21.557 -21.792 1.00 18.25 O ATOM 1576 CB ASN B 44 5.595 -19.693 -24.001 1.00 10.55 C ATOM 1577 CG ASN B 44 6.734 -19.335 -24.916 1.00 10.32 C ATOM 1578 OD1 ASN B 44 6.658 -19.552 -26.123 1.00 15.67 O ATOM 1579 ND2 ASN B 44 7.779 -18.780 -24.368 1.00 10.15 N ATOM 1580 HD22 ASN B 44 7.802 -18.614 -23.342 1.00 0.00 H ATOM 1581 HD21 ASN B 44 8.590 -18.503 -24.957 1.00 0.00 H ATOM 1582 H ASN B 44 4.168 -21.748 -22.172 1.00 0.00 H ATOM 1583 N THR B 45 7.574 -22.325 -23.653 1.00 9.00 N ATOM 1584 CA THR B 45 8.735 -22.890 -22.978 1.00 8.09 C ATOM 1585 C THR B 45 9.957 -22.032 -23.209 1.00 6.78 C ATOM 1586 O THR B 45 10.237 -21.625 -24.350 1.00 7.64 O ATOM 1587 CB THR B 45 9.038 -24.297 -23.475 1.00 9.24 C ATOM 1588 OG1 THR B 45 7.906 -25.122 -23.185 1.00 14.69 O ATOM 1589 CG2 THR B 45 10.268 -24.882 -22.789 1.00 10.93 C ATOM 1590 HG1 THR B 45 7.108 -24.760 -23.647 1.00 0.00 H ATOM 1591 H THR B 45 7.515 -22.395 -24.689 1.00 0.00 H ATOM 1592 N PHE B 46 10.687 -21.737 -22.130 1.00 7.35 N ATOM 1593 CA PHE B 46 12.023 -21.147 -22.208 1.00 5.80 C ATOM 1594 C PHE B 46 13.093 -22.153 -21.805 1.00 8.25 C ATOM 1595 O PHE B 46 12.892 -22.966 -20.895 1.00 8.96 O ATOM 1596 CB PHE B 46 12.141 -19.910 -21.320 1.00 9.63 C ATOM 1597 CG PHE B 46 11.262 -18.778 -21.731 1.00 8.50 C ATOM 1598 CD1 PHE B 46 11.649 -17.950 -22.751 1.00 8.28 C ATOM 1599 CD2 PHE B 46 10.064 -18.530 -21.090 1.00 9.95 C ATOM 1600 CE1 PHE B 46 10.863 -16.883 -23.149 1.00 11.56 C ATOM 1601 CE2 PHE B 46 9.269 -17.446 -21.476 1.00 12.98 C ATOM 1602 CZ PHE B 46 9.677 -16.625 -22.509 1.00 12.10 C ATOM 1603 H PHE B 46 10.287 -21.936 -21.191 1.00 0.00 H ATOM 1604 N VAL B 47 14.219 -22.122 -22.503 1.00 5.92 N ATOM 1605 CA VAL B 47 15.324 -23.061 -22.307 1.00 7.24 C ATOM 1606 C VAL B 47 16.506 -22.318 -21.673 1.00 7.85 C ATOM 1607 O VAL B 47 16.983 -21.320 -22.229 1.00 7.49 O ATOM 1608 CB VAL B 47 15.765 -23.690 -23.652 1.00 8.44 C ATOM 1609 CG1 VAL B 47 16.869 -24.694 -23.422 1.00 9.46 C ATOM 1610 CG2 VAL B 47 14.605 -24.303 -24.392 1.00 8.39 C ATOM 1611 H VAL B 47 14.323 -21.388 -23.232 1.00 0.00 H ATOM 1612 N HIS B 48 16.982 -22.819 -20.524 1.00 6.35 N ATOM 1613 CA HIS B 48 18.059 -22.229 -19.751 1.00 8.26 C ATOM 1614 C HIS B 48 19.355 -22.972 -20.022 1.00 10.53 C ATOM 1615 O HIS B 48 19.879 -23.687 -19.165 1.00 11.71 O ATOM 1616 CB HIS B 48 17.712 -22.279 -18.275 1.00 8.03 C ATOM 1617 CG HIS B 48 16.390 -21.668 -17.949 1.00 8.97 C ATOM 1618 ND1 HIS B 48 16.172 -20.313 -18.003 1.00 18.33 N ATOM 1619 CD2 HIS B 48 15.215 -22.223 -17.563 1.00 8.54 C ATOM 1620 CE1 HIS B 48 14.916 -20.055 -17.672 1.00 16.52 C ATOM 1621 NE2 HIS B 48 14.318 -21.195 -17.390 1.00 10.09 N ATOM 1622 H HIS B 48 16.549 -23.692 -20.161 1.00 0.00 H ATOM 1623 N GLU B 49 19.822 -22.838 -21.249 1.00 8.40 N ATOM 1624 CA GLU B 49 21.069 -23.452 -21.678 1.00 7.44 C ATOM 1625 C GLU B 49 21.780 -22.475 -22.579 1.00 9.23 C ATOM 1626 O GLU B 49 21.177 -21.503 -23.024 1.00 9.53 O ATOM 1627 CB GLU B 49 20.795 -24.776 -22.411 1.00 8.78 C ATOM 1628 CG GLU B 49 20.017 -25.800 -21.592 1.00 9.72 C ATOM 1629 CD GLU B 49 20.802 -26.371 -20.426 1.00 11.65 C ATOM 1630 OE1 GLU B 49 22.052 -26.172 -20.378 1.00 12.41 O ATOM 1631 OE2 GLU B 49 20.178 -27.056 -19.579 1.00 11.09 O ATOM 1632 H GLU B 49 19.279 -22.273 -21.933 1.00 0.00 H ATOM 1633 N SER B 50 23.055 -22.716 -22.849 1.00 9.15 N ATOM 1634 CA SER B 50 23.776 -21.854 -23.771 1.00 11.77 C ATOM 1635 C SER B 50 23.200 -21.974 -25.169 1.00 10.38 C ATOM 1636 O SER B 50 22.656 -23.003 -25.562 1.00 9.68 O ATOM 1637 CB SER B 50 25.254 -22.201 -23.795 1.00 13.10 C ATOM 1638 OG SER B 50 25.456 -23.413 -24.499 1.00 14.70 O ATOM 1639 HG SER B 50 26.422 -23.630 -24.509 1.00 0.00 H ATOM 1640 H SER B 50 23.539 -23.521 -22.402 1.00 0.00 H ATOM 1641 N LEU B 51 23.326 -20.900 -25.925 1.00 9.15 N ATOM 1642 CA LEU B 51 22.867 -20.895 -27.300 1.00 10.05 C ATOM 1643 C LEU B 51 23.588 -21.974 -28.088 1.00 10.48 C ATOM 1644 O LEU B 51 22.961 -22.675 -28.878 1.00 9.88 O ATOM 1645 CB LEU B 51 23.076 -19.521 -27.949 1.00 13.26 C ATOM 1646 CG LEU B 51 22.473 -19.380 -29.349 1.00 15.85 C ATOM 1647 CD1 LEU B 51 20.985 -19.668 -29.366 1.00 14.79 C ATOM 1648 CD2 LEU B 51 22.784 -17.967 -29.830 1.00 18.50 C ATOM 1649 H LEU B 51 23.762 -20.043 -25.528 1.00 0.00 H ATOM 1650 N ALA B 52 24.892 -22.142 -27.861 1.00 10.26 N ATOM 1651 CA ALA B 52 25.646 -23.166 -28.590 1.00 12.16 C ATOM 1652 C ALA B 52 25.079 -24.560 -28.314 1.00 13.95 C ATOM 1653 O ALA B 52 24.928 -25.363 -29.216 1.00 11.73 O ATOM 1654 CB ALA B 52 27.121 -23.115 -28.217 1.00 16.11 C ATOM 1655 H ALA B 52 25.376 -21.543 -27.163 1.00 0.00 H ATOM 1656 N ASP B 53 24.739 -24.841 -27.063 1.00 12.74 N ATOM 1657 CA ASP B 53 24.196 -26.151 -26.733 1.00 11.66 C ATOM 1658 C ASP B 53 22.821 -26.416 -27.355 1.00 11.20 C ATOM 1659 O ASP B 53 22.492 -27.558 -27.724 1.00 11.27 O ATOM 1660 CB ASP B 53 24.124 -26.311 -25.223 1.00 12.02 C ATOM 1661 CG ASP B 53 25.499 -26.531 -24.597 1.00 18.07 C ATOM 1662 OD1 ASP B 53 26.441 -26.866 -25.358 1.00 20.65 O ATOM 1663 OD2 ASP B 53 25.626 -26.387 -23.355 1.00 18.75 O ATOM 1664 H ASP B 53 24.860 -24.126 -26.318 1.00 0.00 H ATOM 1665 N VAL B 54 21.994 -25.390 -27.481 1.00 8.44 N ATOM 1666 CA VAL B 54 20.694 -25.581 -28.110 1.00 7.14 C ATOM 1667 C VAL B 54 20.860 -25.663 -29.639 1.00 8.43 C ATOM 1668 O VAL B 54 20.200 -26.481 -30.283 1.00 7.90 O ATOM 1669 CB VAL B 54 19.705 -24.462 -27.711 1.00 8.53 C ATOM 1670 CG1 VAL B 54 18.392 -24.618 -28.444 1.00 7.10 C ATOM 1671 CG2 VAL B 54 19.452 -24.539 -26.216 1.00 10.35 C ATOM 1672 H VAL B 54 22.272 -24.450 -27.132 1.00 0.00 H ATOM 1673 N GLN B 55 21.750 -24.854 -30.214 1.00 8.51 N ATOM 1674 CA GLN B 55 21.977 -24.928 -31.666 1.00 8.44 C ATOM 1675 C GLN B 55 22.494 -26.312 -32.059 1.00 9.99 C ATOM 1676 O GLN B 55 22.211 -26.812 -33.157 1.00 12.14 O ATOM 1677 CB GLN B 55 22.961 -23.863 -32.126 1.00 8.65 C ATOM 1678 CG GLN B 55 22.401 -22.445 -32.016 1.00 9.89 C ATOM 1679 CD GLN B 55 23.426 -21.386 -32.343 1.00 15.33 C ATOM 1680 OE1 GLN B 55 24.629 -21.601 -32.184 1.00 18.45 O ATOM 1681 NE2 GLN B 55 22.956 -20.232 -32.782 1.00 17.18 N ATOM 1682 HE22 GLN B 55 21.931 -20.099 -32.900 1.00 0.00 H ATOM 1683 HE21 GLN B 55 23.611 -19.457 -33.010 1.00 0.00 H ATOM 1684 H GLN B 55 22.283 -24.172 -29.637 1.00 0.00 H ATOM 1685 N ALA B 56 23.240 -26.930 -31.156 1.00 8.43 N ATOM 1686 CA ALA B 56 23.800 -28.233 -31.430 1.00 10.96 C ATOM 1687 C ALA B 56 22.724 -29.307 -31.633 1.00 9.40 C ATOM 1688 O ALA B 56 22.979 -30.322 -32.271 1.00 9.94 O ATOM 1689 CB ALA B 56 24.716 -28.634 -30.319 1.00 13.27 C ATOM 1690 H ALA B 56 23.424 -26.473 -30.240 1.00 0.00 H ATOM 1691 N VAL B 57 21.517 -29.104 -31.109 1.00 8.89 N ATOM 1692 CA VAL B 57 20.462 -30.108 -31.241 1.00 6.41 C ATOM 1693 C VAL B 57 20.107 -30.390 -32.710 1.00 8.33 C ATOM 1694 O VAL B 57 19.645 -31.482 -33.053 1.00 8.56 O ATOM 1695 CB VAL B 57 19.218 -29.667 -30.439 1.00 7.54 C ATOM 1696 CG1 VAL B 57 18.066 -30.642 -30.627 1.00 6.50 C ATOM 1697 CG2 VAL B 57 19.610 -29.552 -28.968 1.00 9.26 C ATOM 1698 H VAL B 57 21.322 -28.219 -30.599 1.00 0.00 H ATOM 1699 N CYS B 58 20.369 -29.417 -33.575 1.00 10.81 N ATOM 1700 CA CYS B 58 20.038 -29.560 -34.998 1.00 10.00 C ATOM 1701 C CYS B 58 20.940 -30.590 -35.683 1.00 11.59 C ATOM 1702 O CYS B 58 20.715 -30.931 -36.858 1.00 13.18 O ATOM 1703 CB CYS B 58 20.157 -28.216 -35.722 1.00 10.20 C ATOM 1704 SG CYS B 58 19.015 -26.950 -35.147 1.00 13.00 S ATOM 1705 H CYS B 58 20.816 -28.540 -33.239 1.00 0.00 H ATOM 1706 N SER B 59 21.963 -31.056 -34.968 1.00 11.30 N ATOM 1707 CA SER B 59 22.833 -32.148 -35.431 1.00 14.12 C ATOM 1708 C SER B 59 22.643 -33.430 -34.639 1.00 13.98 C ATOM 1709 O SER B 59 23.507 -34.309 -34.690 1.00 15.05 O ATOM 1710 CB SER B 59 24.306 -31.722 -35.373 1.00 15.05 C ATOM 1711 OG SER B 59 24.708 -31.418 -34.055 1.00 26.34 O ATOM 1712 HG SER B 59 24.154 -30.676 -33.705 1.00 0.00 H ATOM 1713 H SER B 59 22.155 -30.628 -34.040 1.00 0.00 H ATOM 1714 N GLN B 60 21.537 -33.557 -33.912 1.00 10.21 N ATOM 1715 CA GLN B 60 21.333 -34.713 -33.036 1.00 7.17 C ATOM 1716 C GLN B 60 20.228 -35.616 -33.584 1.00 12.19 C ATOM 1717 O GLN B 60 20.286 -35.933 -34.776 1.00 17.17 O ATOM 1718 CB GLN B 60 21.130 -34.225 -31.607 1.00 9.55 C ATOM 1719 CG GLN B 60 22.371 -33.481 -31.117 1.00 6.99 C ATOM 1720 CD GLN B 60 22.305 -32.880 -29.716 1.00 8.76 C ATOM 1721 OE1 GLN B 60 21.387 -33.104 -28.944 1.00 8.85 O ATOM 1722 NE2 GLN B 60 23.332 -32.119 -29.386 1.00 17.36 N ATOM 1723 HE22 GLN B 60 24.096 -31.951 -30.071 1.00 0.00 H ATOM 1724 HE21 GLN B 60 23.377 -31.688 -28.441 1.00 0.00 H ATOM 1725 H GLN B 60 20.803 -32.822 -33.966 1.00 0.00 H ATOM 1726 N LYS B 61 19.236 -36.041 -32.798 1.00 11.98 N ATOM 1727 CA LYS B 61 18.305 -37.096 -33.222 1.00 13.25 C ATOM 1728 C LYS B 61 17.160 -36.622 -34.088 1.00 18.73 C ATOM 1729 O LYS B 61 16.285 -35.925 -33.615 1.00 14.56 O ATOM 1730 CB LYS B 61 17.699 -37.782 -32.009 1.00 13.22 C ATOM 1731 CG LYS B 61 18.587 -38.796 -31.363 1.00 15.74 C ATOM 1732 CD LYS B 61 18.305 -38.876 -29.873 1.00 9.76 C ATOM 1733 CE LYS B 61 16.885 -39.337 -29.596 1.00 20.57 C ATOM 1734 NZ LYS B 61 16.695 -39.700 -28.164 1.00 19.41 N ATOM 1735 HZ1 LYS B 61 17.346 -40.472 -27.914 1.00 0.00 H ATOM 1736 HZ2 LYS B 61 16.893 -38.871 -27.568 1.00 0.00 H ATOM 1737 HZ3 LYS B 61 15.714 -40.010 -28.013 1.00 0.00 H ATOM 1738 H LYS B 61 19.119 -35.613 -31.858 1.00 0.00 H ATOM 1739 N ASN B 62 17.137 -37.030 -35.355 1.00 15.33 N ATOM 1740 CA ASN B 62 16.020 -36.658 -36.213 1.00 13.98 C ATOM 1741 C ASN B 62 14.757 -37.402 -35.726 1.00 22.02 C ATOM 1742 O ASN B 62 14.792 -38.613 -35.472 1.00 26.29 O ATOM 1743 CB ASN B 62 16.345 -36.959 -37.687 1.00 19.50 C ATOM 1744 CG ASN B 62 15.277 -36.444 -38.645 1.00 47.01 C ATOM 1745 OD1 ASN B 62 14.761 -37.202 -39.466 1.00 41.75 O ATOM 1746 ND2 ASN B 62 14.939 -35.153 -38.541 1.00 29.08 N ATOM 1747 HD22 ASN B 62 15.402 -34.550 -37.832 1.00 0.00 H ATOM 1748 HD21 ASN B 62 14.213 -34.753 -39.169 1.00 0.00 H ATOM 1749 H ASN B 62 17.913 -37.612 -35.731 1.00 0.00 H ATOM 1750 N VAL B 63 13.663 -36.671 -35.532 1.00 18.74 N ATOM 1751 CA VAL B 63 12.401 -37.250 -35.059 1.00 15.80 C ATOM 1752 C VAL B 63 11.213 -36.593 -35.760 1.00 22.14 C ATOM 1753 O VAL B 63 11.383 -35.611 -36.490 1.00 21.21 O ATOM 1754 CB VAL B 63 12.245 -37.107 -33.537 1.00 23.24 C ATOM 1755 CG1 VAL B 63 13.349 -37.879 -32.818 1.00 25.61 C ATOM 1756 CG2 VAL B 63 12.268 -35.646 -33.118 1.00 18.39 C ATOM 1757 H VAL B 63 13.704 -35.650 -35.723 1.00 0.00 H ATOM 1758 N ALA B 64 10.010 -37.130 -35.536 1.00 20.73 N ATOM 1759 CA ALA B 64 8.803 -36.534 -36.105 1.00 26.97 C ATOM 1760 C ALA B 64 8.334 -35.370 -35.254 1.00 21.65 C ATOM 1761 O ALA B 64 8.403 -35.430 -34.030 1.00 27.27 O ATOM 1762 CB ALA B 64 7.697 -37.571 -36.222 1.00 28.70 C ATOM 1763 H ALA B 64 9.932 -37.984 -34.948 1.00 0.00 H ATOM 1764 N CYS B 65 7.854 -34.315 -35.914 1.00 28.20 N ATOM 1765 CA CYS B 65 7.211 -33.194 -35.232 1.00 26.29 C ATOM 1766 C CYS B 65 5.793 -33.572 -34.812 1.00 23.79 C ATOM 1767 O CYS B 65 5.196 -34.475 -35.390 1.00 32.39 O ATOM 1768 CB CYS B 65 7.181 -31.963 -36.134 1.00 23.51 C ATOM 1769 SG CYS B 65 8.768 -31.564 -36.879 1.00 28.37 S ATOM 1770 H CYS B 65 7.940 -34.289 -36.950 1.00 0.00 H ATOM 1771 N LYS B 66 5.251 -32.886 -33.809 1.00 27.30 N ATOM 1772 CA LYS B 66 3.948 -33.259 -33.257 1.00 31.79 C ATOM 1773 C LYS B 66 2.812 -33.118 -34.272 1.00 43.69 C ATOM 1774 O LYS B 66 1.713 -33.623 -34.037 1.00 43.59 O ATOM 1775 CB LYS B 66 3.631 -32.422 -32.010 1.00 33.11 C ATOM 1776 CG LYS B 66 3.446 -30.940 -32.268 1.00 33.46 C ATOM 1777 CD LYS B 66 3.016 -30.206 -30.992 1.00 36.29 C ATOM 1778 CE LYS B 66 2.951 -28.696 -31.196 1.00 40.09 C ATOM 1779 NZ LYS B 66 4.262 -28.106 -31.615 1.00 38.67 N ATOM 1780 HZ1 LYS B 66 4.976 -28.296 -30.883 1.00 0.00 H ATOM 1781 HZ2 LYS B 66 4.562 -28.534 -32.514 1.00 0.00 H ATOM 1782 HZ3 LYS B 66 4.155 -27.079 -31.738 1.00 0.00 H ATOM 1783 H LYS B 66 5.761 -32.072 -33.411 1.00 0.00 H ATOM 1784 N ASN B 67 3.073 -32.444 -35.392 1.00 32.47 N ATOM 1785 CA ASN B 67 2.048 -32.247 -36.421 1.00 34.54 C ATOM 1786 C ASN B 67 2.198 -33.201 -37.602 1.00 53.44 C ATOM 1787 O ASN B 67 1.575 -33.006 -38.645 1.00 61.55 O ATOM 1788 CB ASN B 67 2.064 -30.800 -36.927 1.00 40.38 C ATOM 1789 CG ASN B 67 3.219 -30.511 -37.877 1.00 35.36 C ATOM 1790 OD1 ASN B 67 4.190 -31.266 -37.961 1.00 48.75 O ATOM 1791 ND2 ASN B 67 3.122 -29.394 -38.584 1.00 34.15 N ATOM 1792 HD22 ASN B 67 2.285 -28.785 -38.482 1.00 0.00 H ATOM 1793 HD21 ASN B 67 3.883 -29.126 -39.240 1.00 0.00 H ATOM 1794 H ASN B 67 4.024 -32.050 -35.539 1.00 0.00 H ATOM 1795 N GLY B 68 3.033 -34.223 -37.439 1.00 45.74 N ATOM 1796 CA GLY B 68 3.183 -35.251 -38.455 1.00 34.93 C ATOM 1797 C GLY B 68 4.367 -35.037 -39.384 1.00 29.50 C ATOM 1798 O GLY B 68 4.873 -35.997 -39.978 1.00 39.78 O ATOM 1799 H GLY B 68 3.592 -34.288 -36.564 1.00 0.00 H ATOM 1800 N GLN B 69 4.810 -33.791 -39.532 1.00 31.06 N ATOM 1801 CA GLN B 69 6.041 -33.524 -40.276 1.00 24.48 C ATOM 1802 C GLN B 69 7.192 -34.331 -39.671 1.00 31.53 C ATOM 1803 O GLN B 69 7.091 -34.821 -38.542 1.00 38.08 O ATOM 1804 CB GLN B 69 6.385 -32.037 -40.270 1.00 22.93 C ATOM 1805 CG GLN B 69 5.380 -31.156 -40.991 1.00 25.82 C ATOM 1806 CD GLN B 69 5.716 -29.676 -40.903 1.00 31.84 C ATOM 1807 OE1 GLN B 69 4.831 -28.843 -40.725 1.00 47.34 O ATOM 1808 NE2 GLN B 69 6.993 -29.341 -41.048 1.00 35.89 N ATOM 1809 HE22 GLN B 69 7.711 -30.079 -41.197 1.00 0.00 H ATOM 1810 HE21 GLN B 69 7.275 -28.341 -41.013 1.00 0.00 H ATOM 1811 H GLN B 69 4.277 -33.001 -39.116 1.00 0.00 H ATOM 1812 N THR B 70 8.285 -34.461 -40.414 1.00 29.21 N ATOM 1813 CA THR B 70 9.371 -35.362 -40.026 1.00 26.90 C ATOM 1814 C THR B 70 10.697 -34.633 -39.921 1.00 26.98 C ATOM 1815 O THR B 70 11.758 -35.263 -39.934 1.00 40.71 O ATOM 1816 CB THR B 70 9.531 -36.519 -41.037 1.00 34.71 C ATOM 1817 OG1 THR B 70 9.914 -35.996 -42.319 1.00 40.96 O ATOM 1818 CG2 THR B 70 8.221 -37.305 -41.164 1.00 48.76 C ATOM 1819 HG1 THR B 70 9.216 -35.373 -42.642 1.00 0.00 H ATOM 1820 H THR B 70 8.371 -33.910 -41.292 1.00 0.00 H ATOM 1821 N ASN B 71 10.644 -33.312 -39.811 1.00 23.43 N ATOM 1822 CA ASN B 71 11.864 -32.509 -39.856 1.00 21.41 C ATOM 1823 C ASN B 71 12.290 -31.893 -38.514 1.00 29.72 C ATOM 1824 O ASN B 71 12.870 -30.817 -38.482 1.00 32.57 O ATOM 1825 CB ASN B 71 11.710 -31.399 -40.870 1.00 20.13 C ATOM 1826 CG ASN B 71 10.626 -30.406 -40.492 1.00 35.64 C ATOM 1827 OD1 ASN B 71 9.469 -30.772 -40.303 1.00 28.26 O ATOM 1828 ND2 ASN B 71 11.005 -29.147 -40.358 1.00 32.77 N ATOM 1829 HD22 ASN B 71 11.996 -28.881 -40.528 1.00 0.00 H ATOM 1830 HD21 ASN B 71 10.312 -28.422 -40.082 1.00 0.00 H ATOM 1831 H ASN B 71 9.724 -32.843 -39.691 1.00 0.00 H ATOM 1832 N CYS B 72 12.035 -32.587 -37.418 1.00 20.07 N ATOM 1833 CA CYS B 72 12.452 -32.100 -36.108 1.00 17.96 C ATOM 1834 C CYS B 72 13.664 -32.874 -35.593 1.00 14.35 C ATOM 1835 O CYS B 72 14.042 -33.912 -36.145 1.00 13.51 O ATOM 1836 CB CYS B 72 11.289 -32.186 -35.132 1.00 14.06 C ATOM 1837 SG CYS B 72 10.021 -30.891 -35.414 1.00 19.47 S ATOM 1838 H CYS B 72 11.530 -33.493 -37.491 1.00 0.00 H ATOM 1839 N TYR B 73 14.271 -32.323 -34.545 1.00 9.91 N ATOM 1840 CA TYR B 73 15.451 -32.899 -33.890 1.00 9.37 C ATOM 1841 C TYR B 73 15.269 -32.905 -32.382 1.00 10.86 C ATOM 1842 O TYR B 73 14.830 -31.906 -31.795 1.00 9.07 O ATOM 1843 CB TYR B 73 16.720 -32.126 -34.269 1.00 13.00 C ATOM 1844 CG TYR B 73 16.983 -32.149 -35.763 1.00 12.01 C ATOM 1845 CD1 TYR B 73 16.316 -31.267 -36.600 1.00 15.54 C ATOM 1846 CD2 TYR B 73 17.847 -33.078 -36.333 1.00 20.16 C ATOM 1847 CE1 TYR B 73 16.511 -31.274 -37.955 1.00 23.61 C ATOM 1848 CE2 TYR B 73 18.058 -33.097 -37.724 1.00 13.62 C ATOM 1849 CZ TYR B 73 17.366 -32.178 -38.513 1.00 15.28 C ATOM 1850 OH TYR B 73 17.531 -32.142 -39.888 1.00 24.30 O ATOM 1851 HH TYR B 73 16.960 -31.428 -40.269 1.00 0.00 H ATOM 1852 H TYR B 73 13.887 -31.433 -34.168 1.00 0.00 H ATOM 1853 N GLN B 74 15.636 -34.024 -31.756 1.00 10.02 N ATOM 1854 CA GLN B 74 15.509 -34.203 -30.316 1.00 9.60 C ATOM 1855 C GLN B 74 16.885 -34.203 -29.681 1.00 11.24 C ATOM 1856 O GLN B 74 17.830 -34.834 -30.193 1.00 9.72 O ATOM 1857 CB GLN B 74 14.765 -35.502 -29.972 1.00 10.70 C ATOM 1858 CG GLN B 74 14.599 -35.719 -28.487 1.00 10.24 C ATOM 1859 CD GLN B 74 13.663 -36.867 -28.148 1.00 16.87 C ATOM 1860 OE1 GLN B 74 12.694 -37.111 -28.851 1.00 19.28 O ATOM 1861 NE2 GLN B 74 13.952 -37.568 -27.055 1.00 16.55 N ATOM 1862 HE22 GLN B 74 14.788 -37.324 -26.487 1.00 0.00 H ATOM 1863 HE21 GLN B 74 13.342 -38.360 -26.769 1.00 0.00 H ATOM 1864 H GLN B 74 16.030 -34.803 -32.321 1.00 0.00 H ATOM 1865 N SER B 75 17.018 -33.500 -28.557 1.00 6.96 N ATOM 1866 CA SER B 75 18.309 -33.433 -27.875 1.00 6.50 C ATOM 1867 C SER B 75 18.693 -34.717 -27.161 1.00 7.76 C ATOM 1868 O SER B 75 17.851 -35.380 -26.564 1.00 9.38 O ATOM 1869 CB SER B 75 18.326 -32.281 -26.881 1.00 8.91 C ATOM 1870 OG SER B 75 17.434 -32.491 -25.801 1.00 9.07 O ATOM 1871 HG SER B 75 17.690 -33.317 -25.319 1.00 0.00 H ATOM 1872 H SER B 75 16.198 -32.996 -28.163 1.00 0.00 H ATOM 1873 N TYR B 76 19.974 -35.046 -27.238 1.00 8.17 N ATOM 1874 CA TYR B 76 20.527 -36.134 -26.415 1.00 5.49 C ATOM 1875 C TYR B 76 20.525 -35.758 -24.943 1.00 7.09 C ATOM 1876 O TYR B 76 20.199 -36.582 -24.076 1.00 10.16 O ATOM 1877 CB TYR B 76 21.962 -36.495 -26.845 1.00 8.64 C ATOM 1878 CG TYR B 76 22.071 -37.033 -28.257 1.00 10.62 C ATOM 1879 CD1 TYR B 76 21.365 -38.149 -28.645 1.00 10.40 C ATOM 1880 CD2 TYR B 76 22.877 -36.411 -29.197 1.00 13.14 C ATOM 1881 CE1 TYR B 76 21.438 -38.630 -29.940 1.00 14.29 C ATOM 1882 CE2 TYR B 76 22.970 -36.904 -30.499 1.00 12.63 C ATOM 1883 CZ TYR B 76 22.235 -37.993 -30.856 1.00 11.04 C ATOM 1884 OH TYR B 76 22.285 -38.495 -32.135 1.00 14.91 O ATOM 1885 HH TYR B 76 21.688 -39.282 -32.203 1.00 0.00 H ATOM 1886 H TYR B 76 20.598 -34.528 -27.889 1.00 0.00 H ATOM 1887 N SER B 77 20.889 -34.511 -24.671 1.00 9.20 N ATOM 1888 CA SER B 77 20.982 -34.016 -23.308 1.00 10.95 C ATOM 1889 C SER B 77 19.614 -33.660 -22.733 1.00 8.87 C ATOM 1890 O SER B 77 18.656 -33.368 -23.457 1.00 10.63 O ATOM 1891 CB SER B 77 21.881 -32.781 -23.255 1.00 12.93 C ATOM 1892 OG SER B 77 21.207 -31.653 -23.793 1.00 15.34 O ATOM 1893 HG SER B 77 20.963 -31.834 -24.735 1.00 0.00 H ATOM 1894 H SER B 77 21.115 -33.869 -25.457 1.00 0.00 H ATOM 1895 N THR B 78 19.539 -33.700 -21.415 1.00 9.61 N ATOM 1896 CA THR B 78 18.422 -33.253 -20.633 1.00 7.79 C ATOM 1897 C THR B 78 18.684 -31.766 -20.285 1.00 9.82 C ATOM 1898 O THR B 78 19.731 -31.461 -19.748 1.00 9.16 O ATOM 1899 CB THR B 78 18.321 -34.148 -19.380 1.00 10.12 C ATOM 1900 OG1 THR B 78 18.353 -35.529 -19.817 1.00 11.50 O ATOM 1901 CG2 THR B 78 17.071 -33.872 -18.596 1.00 22.54 C ATOM 1902 HG1 THR B 78 19.202 -35.703 -20.296 1.00 0.00 H ATOM 1903 H THR B 78 20.357 -34.087 -20.902 1.00 0.00 H ATOM 1904 N MET B 79 17.747 -30.873 -20.586 1.00 7.29 N ATOM 1905 CA MET B 79 17.980 -29.441 -20.447 1.00 9.26 C ATOM 1906 C MET B 79 17.071 -28.829 -19.397 1.00 7.85 C ATOM 1907 O MET B 79 15.949 -29.291 -19.174 1.00 8.64 O ATOM 1908 CB MET B 79 17.789 -28.756 -21.797 1.00 8.63 C ATOM 1909 CG MET B 79 18.888 -29.120 -22.793 1.00 7.85 C ATOM 1910 SD MET B 79 18.662 -28.206 -24.305 1.00 9.35 S ATOM 1911 CE MET B 79 19.913 -28.943 -25.349 1.00 10.66 C ATOM 1912 H MET B 79 16.823 -31.205 -20.930 1.00 0.00 H ATOM 1913 N SER B 80 17.574 -27.794 -18.740 1.00 7.59 N ATOM 1914 CA SER B 80 16.785 -27.012 -17.811 1.00 6.62 C ATOM 1915 C SER B 80 15.810 -26.132 -18.593 1.00 7.19 C ATOM 1916 O SER B 80 16.242 -25.356 -19.463 1.00 6.96 O ATOM 1917 CB SER B 80 17.698 -26.148 -16.944 1.00 8.60 C ATOM 1918 OG SER B 80 16.956 -25.287 -16.111 1.00 10.30 O ATOM 1919 HG SER B 80 17.577 -24.743 -15.564 1.00 0.00 H ATOM 1920 H SER B 80 18.569 -27.535 -18.897 1.00 0.00 H ATOM 1921 N ILE B 81 14.519 -26.271 -18.314 1.00 6.64 N ATOM 1922 CA ILE B 81 13.472 -25.519 -19.007 1.00 8.09 C ATOM 1923 C ILE B 81 12.464 -24.941 -18.022 1.00 8.01 C ATOM 1924 O ILE B 81 12.317 -25.448 -16.898 1.00 9.69 O ATOM 1925 CB ILE B 81 12.721 -26.396 -20.044 1.00 8.94 C ATOM 1926 CG1 ILE B 81 11.933 -27.533 -19.375 1.00 9.26 C ATOM 1927 CG2 ILE B 81 13.701 -26.953 -21.090 1.00 11.51 C ATOM 1928 CD1 ILE B 81 10.715 -27.963 -20.154 1.00 10.72 C ATOM 1929 H ILE B 81 14.240 -26.943 -17.571 1.00 0.00 H ATOM 1930 N THR B 82 11.791 -23.870 -18.428 1.00 7.73 N ATOM 1931 CA THR B 82 10.652 -23.298 -17.718 1.00 7.04 C ATOM 1932 C THR B 82 9.430 -23.391 -18.631 1.00 9.93 C ATOM 1933 O THR B 82 9.522 -23.032 -19.800 1.00 11.15 O ATOM 1934 CB THR B 82 10.937 -21.821 -17.301 1.00 9.13 C ATOM 1935 OG1 THR B 82 12.009 -21.804 -16.340 1.00 10.14 O ATOM 1936 CG2 THR B 82 9.708 -21.163 -16.714 1.00 14.83 C ATOM 1937 HG1 THR B 82 12.821 -22.200 -16.746 1.00 0.00 H ATOM 1938 H THR B 82 12.096 -23.409 -19.309 1.00 0.00 H ATOM 1939 N ASP B 83 8.303 -23.861 -18.121 1.00 11.64 N ATOM 1940 CA ASP B 83 7.074 -23.841 -18.890 1.00 12.18 C ATOM 1941 C ASP B 83 6.164 -22.805 -18.273 1.00 14.68 C ATOM 1942 O ASP B 83 5.904 -22.817 -17.074 1.00 14.90 O ATOM 1943 CB ASP B 83 6.399 -25.216 -18.911 1.00 18.53 C ATOM 1944 CG ASP B 83 7.245 -26.273 -19.599 1.00 22.54 C ATOM 1945 H ASP B 83 8.299 -24.250 -17.156 1.00 0.00 H ATOM 1946 N CYS B 84 5.719 -21.886 -19.099 1.00 10.13 N ATOM 1947 CA CYS B 84 4.846 -20.801 -18.688 1.00 12.46 C ATOM 1948 C CYS B 84 3.441 -21.172 -19.135 1.00 15.74 C ATOM 1949 O CYS B 84 3.203 -21.399 -20.319 1.00 15.05 O ATOM 1950 CB CYS B 84 5.295 -19.476 -19.315 1.00 13.71 C ATOM 1951 SG CYS B 84 6.989 -18.992 -18.872 1.00 13.69 S ATOM 1952 H CYS B 84 6.006 -21.938 -20.097 1.00 0.00 H ATOM 1953 N ARG B 85 2.512 -21.255 -18.186 1.00 14.12 N ATOM 1954 CA ARG B 85 1.152 -21.689 -18.482 1.00 19.09 C ATOM 1955 C ARG B 85 0.170 -20.685 -17.892 1.00 12.83 C ATOM 1956 O ARG B 85 0.331 -20.263 -16.755 1.00 13.37 O ATOM 1957 CB ARG B 85 0.926 -23.089 -17.922 1.00 21.12 C ATOM 1958 CG ARG B 85 2.005 -24.078 -18.378 1.00 26.36 C ATOM 1959 CD ARG B 85 1.947 -25.388 -17.621 1.00 29.86 C ATOM 1960 NE ARG B 85 2.648 -26.450 -18.335 1.00 35.16 N ATOM 1961 CZ ARG B 85 2.812 -27.679 -17.862 1.00 22.28 C ATOM 1962 NH1 ARG B 85 2.343 -27.995 -16.660 1.00 28.96 N ATOM 1963 NH2 ARG B 85 3.463 -28.585 -18.581 1.00 39.08 N ATOM 1964 HE ARG B 85 3.043 -26.230 -19.272 1.00 0.00 H ATOM 1965 HH12 ARG B 85 2.471 -28.958 -16.288 1.00 0.00 H ATOM 1966 HH11 ARG B 85 1.848 -27.279 -16.090 1.00 0.00 H ATOM 1967 HH22 ARG B 85 3.592 -29.548 -18.211 1.00 0.00 H ATOM 1968 HH21 ARG B 85 3.844 -28.332 -19.515 1.00 0.00 H ATOM 1969 H ARG B 85 2.762 -21.004 -17.208 1.00 0.00 H ATOM 1970 N GLU B 86 -0.819 -20.292 -18.685 1.00 17.63 N ATOM 1971 CA GLU B 86 -1.840 -19.337 -18.248 1.00 13.52 C ATOM 1972 C GLU B 86 -2.607 -19.862 -17.058 1.00 14.13 C ATOM 1973 O GLU B 86 -2.989 -21.037 -17.021 1.00 19.74 O ATOM 1974 CB GLU B 86 -2.856 -19.027 -19.354 1.00 18.50 C ATOM 1975 CG GLU B 86 -2.549 -17.867 -20.249 1.00 23.74 C ATOM 1976 CD GLU B 86 -3.747 -17.511 -21.116 1.00 34.30 C ATOM 1977 OE1 GLU B 86 -4.068 -18.305 -22.027 1.00 36.35 O ATOM 1978 OE2 GLU B 86 -4.376 -16.455 -20.877 1.00 25.43 O ATOM 1979 H GLU B 86 -0.871 -20.675 -19.650 1.00 0.00 H ATOM 1980 N THR B 87 -2.848 -18.987 -16.091 1.00 12.68 N ATOM 1981 CA THR B 87 -3.688 -19.335 -14.958 1.00 18.04 C ATOM 1982 C THR B 87 -5.170 -19.297 -15.347 1.00 21.82 C ATOM 1983 O THR B 87 -5.547 -18.769 -16.407 1.00 18.04 O ATOM 1984 CB THR B 87 -3.463 -18.377 -13.809 1.00 19.43 C ATOM 1985 OG1 THR B 87 -4.002 -17.107 -14.169 1.00 19.92 O ATOM 1986 CG2 THR B 87 -1.981 -18.235 -13.523 1.00 19.87 C ATOM 1987 HG1 THR B 87 -3.862 -16.468 -13.426 1.00 0.00 H ATOM 1988 H THR B 87 -2.429 -18.037 -16.145 1.00 0.00 H ATOM 1989 N GLY B 88 -6.003 -19.850 -14.475 1.00 24.15 N ATOM 1990 CA GLY B 88 -7.438 -19.902 -14.713 1.00 24.11 C ATOM 1991 C GLY B 88 -8.083 -18.531 -14.829 1.00 32.58 C ATOM 1992 O GLY B 88 -9.113 -18.370 -15.490 1.00 33.34 O ATOM 1993 H GLY B 88 -5.620 -20.257 -13.598 1.00 0.00 H ATOM 1994 N SER B 89 -7.472 -17.541 -14.187 1.00 21.20 N ATOM 1995 CA SER B 89 -8.018 -16.187 -14.133 1.00 25.41 C ATOM 1996 C SER B 89 -7.366 -15.224 -15.132 1.00 30.12 C ATOM 1997 O SER B 89 -7.671 -14.033 -15.151 1.00 31.00 O ATOM 1998 CB SER B 89 -7.862 -15.639 -12.713 1.00 36.91 C ATOM 1999 OG SER B 89 -8.486 -16.497 -11.773 1.00 52.34 O ATOM 2000 HG SER B 89 -9.450 -16.570 -11.984 1.00 0.00 H ATOM 2001 H SER B 89 -6.572 -17.737 -13.705 1.00 0.00 H ATOM 2002 N SER B 90 -6.471 -15.740 -15.969 1.00 19.81 N ATOM 2003 CA SER B 90 -5.801 -14.916 -16.962 1.00 15.43 C ATOM 2004 C SER B 90 -6.788 -14.459 -18.027 1.00 19.26 C ATOM 2005 O SER B 90 -7.543 -15.270 -18.568 1.00 21.91 O ATOM 2006 CB SER B 90 -4.646 -15.704 -17.594 1.00 12.64 C ATOM 2007 OG SER B 90 -4.006 -14.958 -18.607 1.00 15.45 O ATOM 2008 HG SER B 90 -4.661 -14.737 -19.316 1.00 0.00 H ATOM 2009 H SER B 90 -6.246 -16.754 -15.912 1.00 0.00 H ATOM 2010 N LYS B 91 -6.780 -13.165 -18.325 1.00 15.82 N ATOM 2011 CA LYS B 91 -7.702 -12.598 -19.304 1.00 18.70 C ATOM 2012 C LYS B 91 -7.104 -11.376 -19.964 1.00 16.43 C ATOM 2013 O LYS B 91 -6.874 -10.349 -19.324 1.00 19.80 O ATOM 2014 CB LYS B 91 -9.038 -12.241 -18.637 1.00 33.62 C ATOM 2015 CG LYS B 91 -9.990 -11.442 -19.521 1.00 30.79 C ATOM 2016 CD LYS B 91 -11.394 -11.426 -18.941 1.00 31.32 C ATOM 2017 CE LYS B 91 -11.449 -10.711 -17.600 1.00 46.15 C ATOM 2018 NZ LYS B 91 -12.831 -10.738 -17.031 1.00 52.37 N ATOM 2019 HZ1 LYS B 91 -13.484 -10.265 -17.688 1.00 0.00 H ATOM 2020 HZ2 LYS B 91 -13.129 -11.725 -16.895 1.00 0.00 H ATOM 2021 HZ3 LYS B 91 -12.838 -10.243 -16.116 1.00 0.00 H ATOM 2022 H LYS B 91 -6.099 -12.540 -17.849 1.00 0.00 H ATOM 2023 N TYR B 92 -6.848 -11.502 -21.255 1.00 16.84 N ATOM 2024 CA TYR B 92 -6.263 -10.437 -22.040 1.00 15.34 C ATOM 2025 C TYR B 92 -7.045 -9.148 -21.800 1.00 25.07 C ATOM 2026 O TYR B 92 -8.284 -9.184 -21.734 1.00 25.44 O ATOM 2027 CB TYR B 92 -6.282 -10.816 -23.516 1.00 20.12 C ATOM 2028 CG TYR B 92 -5.651 -9.791 -24.408 1.00 18.39 C ATOM 2029 CD1 TYR B 92 -4.288 -9.821 -24.673 1.00 29.61 C ATOM 2030 CD2 TYR B 92 -6.411 -8.791 -24.988 1.00 22.02 C ATOM 2031 CE1 TYR B 92 -3.701 -8.881 -25.492 1.00 26.65 C ATOM 2032 CE2 TYR B 92 -5.832 -7.846 -25.803 1.00 28.23 C ATOM 2033 CZ TYR B 92 -4.480 -7.896 -26.056 1.00 36.88 C ATOM 2034 OH TYR B 92 -3.910 -6.952 -26.876 1.00 37.50 O ATOM 2035 HH TYR B 92 -2.939 -7.128 -26.954 1.00 0.00 H ATOM 2036 H TYR B 92 -7.076 -12.402 -21.724 1.00 0.00 H ATOM 2037 N PRO B 93 -6.343 -8.009 -21.654 1.00 23.90 N ATOM 2038 CA PRO B 93 -4.903 -7.730 -21.753 1.00 24.10 C ATOM 2039 C PRO B 93 -4.114 -7.957 -20.465 1.00 21.99 C ATOM 2040 O PRO B 93 -2.933 -7.623 -20.420 1.00 32.76 O ATOM 2041 CB PRO B 93 -4.877 -6.257 -22.137 1.00 26.52 C ATOM 2042 CG PRO B 93 -6.072 -5.696 -21.447 1.00 24.52 C ATOM 2043 CD PRO B 93 -7.118 -6.765 -21.487 1.00 19.12 C ATOM 2044 N ASN B 94 -4.752 -8.521 -19.452 1.00 21.61 N ATOM 2045 CA ASN B 94 -4.085 -8.823 -18.193 1.00 24.10 C ATOM 2046 C ASN B 94 -3.742 -10.309 -18.118 1.00 21.01 C ATOM 2047 O ASN B 94 -4.389 -11.093 -17.414 1.00 23.78 O ATOM 2048 CB ASN B 94 -4.969 -8.387 -17.027 1.00 24.37 C ATOM 2049 CG ASN B 94 -5.297 -6.903 -17.081 1.00 28.15 C ATOM 2050 OD1 ASN B 94 -6.449 -6.514 -17.283 1.00 34.73 O ATOM 2051 ND2 ASN B 94 -4.274 -6.067 -16.928 1.00 34.77 N ATOM 2052 HD22 ASN B 94 -3.318 -6.440 -16.759 1.00 0.00 H ATOM 2053 HD21 ASN B 94 -4.430 -5.040 -16.977 1.00 0.00 H ATOM 2054 H ASN B 94 -5.760 -8.756 -19.558 1.00 0.00 H ATOM 2055 N CYS B 95 -2.722 -10.697 -18.883 1.00 21.44 N ATOM 2056 CA CYS B 95 -2.340 -12.092 -18.970 1.00 16.93 C ATOM 2057 C CYS B 95 -1.654 -12.449 -17.660 1.00 21.32 C ATOM 2058 O CYS B 95 -1.106 -11.582 -16.974 1.00 24.08 O ATOM 2059 CB CYS B 95 -1.453 -12.335 -20.197 1.00 17.56 C ATOM 2060 SG CYS B 95 -2.256 -11.850 -21.793 1.00 22.67 S ATOM 2061 H CYS B 95 -2.191 -9.987 -19.427 1.00 0.00 H ATOM 2062 N ALA B 96 -1.745 -13.708 -17.274 1.00 11.83 N ATOM 2063 CA ALA B 96 -1.187 -14.153 -16.014 1.00 13.22 C ATOM 2064 C ALA B 96 -0.744 -15.597 -16.143 1.00 13.83 C ATOM 2065 O ALA B 96 -1.484 -16.426 -16.676 1.00 14.24 O ATOM 2066 CB ALA B 96 -2.205 -13.991 -14.880 1.00 18.29 C ATOM 2067 H ALA B 96 -2.228 -14.395 -17.888 1.00 0.00 H ATOM 2068 N TYR B 97 0.461 -15.890 -15.649 1.00 11.72 N ATOM 2069 CA TYR B 97 1.125 -17.169 -15.878 1.00 11.54 C ATOM 2070 C TYR B 97 1.649 -17.774 -14.595 1.00 13.16 C ATOM 2071 O TYR B 97 2.066 -17.058 -13.685 1.00 16.72 O ATOM 2072 CB TYR B 97 2.302 -17.001 -16.863 1.00 11.18 C ATOM 2073 CG TYR B 97 1.852 -16.638 -18.254 1.00 10.48 C ATOM 2074 CD1 TYR B 97 1.533 -17.621 -19.179 1.00 10.28 C ATOM 2075 CD2 TYR B 97 1.727 -15.315 -18.622 1.00 9.12 C ATOM 2076 CE1 TYR B 97 1.094 -17.294 -20.437 1.00 12.88 C ATOM 2077 CE2 TYR B 97 1.288 -14.967 -19.871 1.00 10.61 C ATOM 2078 CZ TYR B 97 0.991 -15.955 -20.781 1.00 10.75 C ATOM 2079 OH TYR B 97 0.555 -15.584 -22.023 1.00 15.52 O ATOM 2080 HH TYR B 97 0.382 -16.393 -22.566 1.00 0.00 H ATOM 2081 H TYR B 97 0.949 -15.174 -15.074 1.00 0.00 H ATOM 2082 N LYS B 98 1.641 -19.095 -14.555 1.00 12.40 N ATOM 2083 CA LYS B 98 2.320 -19.859 -13.530 1.00 11.66 C ATOM 2084 C LYS B 98 3.649 -20.342 -14.092 1.00 13.19 C ATOM 2085 O LYS B 98 3.714 -20.754 -15.249 1.00 15.06 O ATOM 2086 CB LYS B 98 1.470 -21.047 -13.073 1.00 20.80 C ATOM 2087 CG LYS B 98 2.103 -21.858 -11.943 1.00 22.30 C ATOM 2088 H LYS B 98 1.122 -19.610 -15.295 1.00 0.00 H ATOM 2089 N THR B 99 4.691 -20.243 -13.269 1.00 15.19 N ATOM 2090 CA THR B 99 6.048 -20.641 -13.613 1.00 14.72 C ATOM 2091 C THR B 99 6.289 -22.049 -13.112 1.00 17.04 C ATOM 2092 O THR B 99 6.227 -22.291 -11.905 1.00 19.04 O ATOM 2093 CB THR B 99 7.065 -19.681 -12.989 1.00 14.74 C ATOM 2094 OG1 THR B 99 6.882 -18.372 -13.544 1.00 16.96 O ATOM 2095 CG2 THR B 99 8.503 -20.132 -13.243 1.00 21.27 C ATOM 2096 HG1 THR B 99 5.964 -18.057 -13.348 1.00 0.00 H ATOM 2097 H THR B 99 4.524 -19.856 -12.318 1.00 0.00 H ATOM 2098 N THR B 100 6.565 -22.968 -14.034 1.00 16.87 N ATOM 2099 CA THR B 100 6.862 -24.364 -13.716 1.00 16.34 C ATOM 2100 C THR B 100 8.276 -24.664 -14.194 1.00 19.40 C ATOM 2101 O THR B 100 8.718 -24.086 -15.173 1.00 18.66 O ATOM 2102 CB THR B 100 5.878 -25.333 -14.400 1.00 16.95 C ATOM 2103 OG1 THR B 100 4.537 -24.970 -14.057 1.00 45.90 O ATOM 2104 CG2 THR B 100 6.136 -26.765 -13.964 1.00 38.45 C ATOM 2105 HG1 THR B 100 4.358 -24.046 -14.363 1.00 0.00 H ATOM 2106 H THR B 100 6.570 -22.678 -15.033 1.00 0.00 H ATOM 2107 N GLN B 101 8.977 -25.559 -13.510 1.00 16.61 N ATOM 2108 CA GLN B 101 10.363 -25.883 -13.838 1.00 12.95 C ATOM 2109 C GLN B 101 10.484 -27.362 -14.150 1.00 18.76 C ATOM 2110 O GLN B 101 9.780 -28.183 -13.570 1.00 18.10 O ATOM 2111 CB GLN B 101 11.275 -25.506 -12.687 1.00 16.06 C ATOM 2112 CG GLN B 101 11.207 -24.028 -12.317 1.00 23.21 C ATOM 2113 CD GLN B 101 12.300 -23.610 -11.346 1.00 27.93 C ATOM 2114 OE1 GLN B 101 13.224 -24.371 -11.067 1.00 46.17 O ATOM 2115 NE2 GLN B 101 12.196 -22.394 -10.824 1.00 46.18 N ATOM 2116 HE22 GLN B 101 11.398 -21.782 -11.087 1.00 0.00 H ATOM 2117 HE21 GLN B 101 12.913 -22.054 -10.152 1.00 0.00 H ATOM 2118 H GLN B 101 8.523 -26.047 -12.712 1.00 0.00 H ATOM 2119 N ALA B 102 11.390 -27.711 -15.059 1.00 11.82 N ATOM 2120 CA ALA B 102 11.586 -29.101 -15.446 1.00 10.13 C ATOM 2121 C ALA B 102 12.970 -29.286 -16.038 1.00 9.17 C ATOM 2122 O ALA B 102 13.656 -28.314 -16.356 1.00 9.13 O ATOM 2123 CB ALA B 102 10.544 -29.554 -16.443 1.00 10.75 C ATOM 2124 H ALA B 102 11.973 -26.973 -15.504 1.00 0.00 H ATOM 2125 N ASN B 103 13.356 -30.546 -16.167 1.00 8.54 N ATOM 2126 CA ASN B 103 14.597 -30.938 -16.818 1.00 7.83 C ATOM 2127 C ASN B 103 14.281 -32.070 -17.777 1.00 9.81 C ATOM 2128 O ASN B 103 14.046 -33.213 -17.356 1.00 12.43 O ATOM 2129 CB ASN B 103 15.651 -31.366 -15.800 1.00 8.41 C ATOM 2130 CG ASN B 103 16.162 -30.211 -14.994 1.00 9.40 C ATOM 2131 OD1 ASN B 103 17.154 -29.557 -15.353 1.00 10.75 O ATOM 2132 ND2 ASN B 103 15.472 -29.914 -13.921 1.00 10.71 N ATOM 2133 HD22 ASN B 103 14.647 -30.490 -13.657 1.00 0.00 H ATOM 2134 HD21 ASN B 103 15.749 -29.102 -13.333 1.00 0.00 H ATOM 2135 H ASN B 103 12.742 -31.293 -15.784 1.00 0.00 H ATOM 2136 N LYS B 104 14.244 -31.735 -19.062 1.00 8.16 N ATOM 2137 CA LYS B 104 13.735 -32.622 -20.092 1.00 9.00 C ATOM 2138 C LYS B 104 14.508 -32.490 -21.383 1.00 7.15 C ATOM 2139 O LYS B 104 15.235 -31.519 -21.591 1.00 8.98 O ATOM 2140 CB LYS B 104 12.266 -32.305 -20.387 1.00 10.28 C ATOM 2141 CG LYS B 104 11.337 -32.466 -19.169 1.00 13.24 C ATOM 2142 CD LYS B 104 9.901 -32.103 -19.488 1.00 14.55 C ATOM 2143 CE LYS B 104 9.273 -33.167 -20.361 1.00 22.39 C ATOM 2144 NZ LYS B 104 7.851 -32.830 -20.719 1.00 24.22 N ATOM 2145 HZ1 LYS B 104 7.287 -32.746 -19.850 1.00 0.00 H ATOM 2146 HZ2 LYS B 104 7.829 -31.928 -21.237 1.00 0.00 H ATOM 2147 HZ3 LYS B 104 7.457 -33.584 -21.317 1.00 0.00 H ATOM 2148 H LYS B 104 14.595 -30.797 -19.342 1.00 0.00 H ATOM 2149 N HIS B 105 14.333 -33.462 -22.267 1.00 7.48 N ATOM 2150 CA HIS B 105 14.846 -33.326 -23.630 1.00 9.34 C ATOM 2151 C HIS B 105 13.965 -32.327 -24.350 1.00 11.47 C ATOM 2152 O HIS B 105 12.792 -32.162 -24.004 1.00 12.45 O ATOM 2153 CB HIS B 105 14.806 -34.641 -24.386 1.00 7.84 C ATOM 2154 CG HIS B 105 15.490 -35.772 -23.691 1.00 9.19 C ATOM 2155 ND1 HIS B 105 16.859 -35.873 -23.585 1.00 13.99 N ATOM 2156 CD2 HIS B 105 14.981 -36.867 -23.083 1.00 24.54 C ATOM 2157 CE1 HIS B 105 17.164 -36.982 -22.930 1.00 12.71 C ATOM 2158 NE2 HIS B 105 16.043 -37.602 -22.616 1.00 19.08 N ATOM 2159 H HIS B 105 13.827 -34.327 -21.990 1.00 0.00 H ATOM 2160 N ILE B 106 14.519 -31.677 -25.358 1.00 8.35 N ATOM 2161 CA ILE B 106 13.725 -30.755 -26.183 1.00 7.91 C ATOM 2162 C ILE B 106 13.721 -31.251 -27.630 1.00 5.80 C ATOM 2163 O ILE B 106 14.640 -31.964 -28.071 1.00 8.31 O ATOM 2164 CB ILE B 106 14.246 -29.266 -26.133 1.00 7.43 C ATOM 2165 CG1 ILE B 106 15.662 -29.121 -26.709 1.00 7.13 C ATOM 2166 CG2 ILE B 106 14.179 -28.723 -24.706 1.00 9.38 C ATOM 2167 CD1 ILE B 106 16.103 -27.679 -26.878 1.00 11.68 C ATOM 2168 H ILE B 106 15.527 -31.819 -25.570 1.00 0.00 H ATOM 2169 N ILE B 107 12.686 -30.839 -28.357 1.00 7.55 N ATOM 2170 CA ILE B 107 12.534 -31.120 -29.774 1.00 8.28 C ATOM 2171 C ILE B 107 12.321 -29.806 -30.503 1.00 6.44 C ATOM 2172 O ILE B 107 11.449 -29.020 -30.124 1.00 8.48 O ATOM 2173 CB ILE B 107 11.336 -32.069 -30.066 1.00 10.01 C ATOM 2174 CG1 ILE B 107 11.462 -33.364 -29.242 1.00 11.05 C ATOM 2175 CG2 ILE B 107 11.220 -32.337 -31.570 1.00 12.51 C ATOM 2176 CD1 ILE B 107 10.366 -34.405 -29.492 1.00 14.29 C ATOM 2177 H ILE B 107 11.944 -30.285 -27.884 1.00 0.00 H ATOM 2178 N VAL B 108 13.139 -29.568 -31.523 1.00 7.93 N ATOM 2179 CA VAL B 108 13.132 -28.313 -32.282 1.00 7.12 C ATOM 2180 C VAL B 108 13.148 -28.595 -33.773 1.00 9.08 C ATOM 2181 O VAL B 108 13.543 -29.671 -34.215 1.00 11.32 O ATOM 2182 CB VAL B 108 14.324 -27.417 -31.923 1.00 6.91 C ATOM 2183 CG1 VAL B 108 14.295 -27.025 -30.440 1.00 9.73 C ATOM 2184 CG2 VAL B 108 15.627 -28.083 -32.251 1.00 8.81 C ATOM 2185 H VAL B 108 13.817 -30.308 -31.796 1.00 0.00 H ATOM 2186 N GLY B 109 12.657 -27.644 -34.551 1.00 7.48 N ATOM 2187 CA GLY B 109 12.818 -27.689 -36.003 1.00 10.12 C ATOM 2188 C GLY B 109 13.870 -26.666 -36.419 1.00 9.38 C ATOM 2189 O GLY B 109 13.993 -25.608 -35.805 1.00 8.57 O ATOM 2190 H GLY B 109 12.146 -26.847 -34.120 1.00 0.00 H ATOM 2191 N CYS B 110 14.640 -27.027 -37.443 1.00 10.76 N ATOM 2192 CA CYS B 110 15.835 -26.297 -37.848 1.00 10.25 C ATOM 2193 C CYS B 110 15.820 -25.887 -39.323 1.00 10.92 C ATOM 2194 O CYS B 110 15.196 -26.549 -40.154 1.00 12.25 O ATOM 2195 CB CYS B 110 17.084 -27.145 -37.562 1.00 9.64 C ATOM 2196 SG CYS B 110 17.222 -27.666 -35.800 1.00 12.44 S ATOM 2197 H CYS B 110 14.375 -27.875 -37.983 1.00 0.00 H ATOM 2198 N GLU B 111 16.532 -24.803 -39.625 1.00 8.35 N ATOM 2199 CA GLU B 111 16.655 -24.253 -40.973 1.00 10.88 C ATOM 2200 C GLU B 111 17.952 -23.462 -41.069 1.00 7.22 C ATOM 2201 O GLU B 111 18.465 -22.976 -40.053 1.00 8.99 O ATOM 2202 CB GLU B 111 15.495 -23.294 -41.316 1.00 13.70 C ATOM 2203 CG GLU B 111 14.154 -23.916 -41.543 1.00 27.26 C ATOM 2204 CD GLU B 111 13.156 -22.879 -42.047 1.00 34.37 C ATOM 2205 OE1 GLU B 111 13.598 -21.743 -42.330 1.00 24.06 O ATOM 2206 OE2 GLU B 111 11.944 -23.189 -42.154 1.00 40.15 O ATOM 2207 H GLU B 111 17.032 -24.317 -38.853 1.00 0.00 H ATOM 2208 N GLY B 112 18.444 -23.279 -42.300 1.00 7.37 N ATOM 2209 CA GLY B 112 19.477 -22.308 -42.612 1.00 8.72 C ATOM 2210 C GLY B 112 20.912 -22.804 -42.643 1.00 9.22 C ATOM 2211 O GLY B 112 21.201 -23.978 -42.388 1.00 8.88 O ATOM 2212 H GLY B 112 18.067 -23.863 -43.073 1.00 0.00 H ATOM 2213 N ASN B 113 21.810 -21.895 -43.016 1.00 9.04 N ATOM 2214 CA ASN B 113 23.263 -22.051 -42.832 1.00 9.06 C ATOM 2215 C ASN B 113 23.785 -20.826 -42.098 1.00 11.27 C ATOM 2216 O ASN B 113 23.797 -19.729 -42.654 1.00 10.76 O ATOM 2217 CB ASN B 113 23.965 -22.206 -44.179 1.00 12.73 C ATOM 2218 CG ASN B 113 25.480 -22.288 -44.058 1.00 17.70 C ATOM 2219 OD1 ASN B 113 26.039 -22.310 -42.964 1.00 17.71 O ATOM 2220 ND2 ASN B 113 26.151 -22.335 -45.199 1.00 17.78 N ATOM 2221 HD22 ASN B 113 25.640 -22.314 -46.104 1.00 0.00 H ATOM 2222 HD21 ASN B 113 27.189 -22.393 -45.190 1.00 0.00 H ATOM 2223 H ASN B 113 21.465 -21.022 -43.464 1.00 0.00 H ATOM 2224 N PRO B 114 24.153 -20.967 -40.819 1.00 10.99 N ATOM 2225 CA PRO B 114 24.179 -22.191 -40.015 1.00 10.37 C ATOM 2226 C PRO B 114 22.809 -22.827 -39.772 1.00 7.81 C ATOM 2227 O PRO B 114 21.766 -22.175 -39.746 1.00 8.38 O ATOM 2228 CB PRO B 114 24.780 -21.716 -38.698 1.00 10.61 C ATOM 2229 CG PRO B 114 24.389 -20.333 -38.591 1.00 14.66 C ATOM 2230 CD PRO B 114 24.442 -19.786 -40.001 1.00 13.56 C ATOM 2231 N TYR B 115 22.828 -24.133 -39.587 1.00 8.98 N ATOM 2232 CA TYR B 115 21.608 -24.890 -39.380 1.00 8.56 C ATOM 2233 C TYR B 115 21.227 -24.797 -37.912 1.00 10.22 C ATOM 2234 O TYR B 115 21.868 -25.420 -37.069 1.00 12.65 O ATOM 2235 CB TYR B 115 21.824 -26.336 -39.824 1.00 10.39 C ATOM 2236 CG TYR B 115 20.602 -27.185 -40.083 1.00 8.80 C ATOM 2237 CD1 TYR B 115 19.613 -26.800 -40.984 1.00 8.89 C ATOM 2238 CD2 TYR B 115 20.467 -28.419 -39.469 1.00 9.03 C ATOM 2239 CE1 TYR B 115 18.514 -27.609 -41.221 1.00 11.78 C ATOM 2240 CE2 TYR B 115 19.402 -29.218 -39.700 1.00 9.25 C ATOM 2241 CZ TYR B 115 18.420 -28.822 -40.577 1.00 11.45 C ATOM 2242 OH TYR B 115 17.334 -29.632 -40.826 1.00 16.88 O ATOM 2243 HH TYR B 115 17.646 -30.495 -41.197 1.00 0.00 H ATOM 2244 H TYR B 115 23.740 -24.632 -39.590 1.00 0.00 H ATOM 2245 N VAL B 116 20.197 -24.000 -37.621 1.00 8.47 N ATOM 2246 CA VAL B 116 19.861 -23.645 -36.244 1.00 9.17 C ATOM 2247 C VAL B 116 18.359 -23.698 -36.008 1.00 8.11 C ATOM 2248 O VAL B 116 17.565 -23.766 -36.949 1.00 7.24 O ATOM 2249 CB VAL B 116 20.375 -22.241 -35.912 1.00 9.59 C ATOM 2250 CG1 VAL B 116 21.928 -22.219 -35.951 1.00 8.66 C ATOM 2251 CG2 VAL B 116 19.782 -21.219 -36.864 1.00 11.63 C ATOM 2252 H VAL B 116 19.617 -23.621 -38.396 1.00 0.00 H ATOM 2253 N PRO B 117 17.936 -23.683 -34.751 1.00 8.26 N ATOM 2254 CA PRO B 117 16.511 -23.822 -34.471 1.00 8.15 C ATOM 2255 C PRO B 117 15.671 -22.621 -34.884 1.00 6.53 C ATOM 2256 O PRO B 117 16.062 -21.472 -34.662 1.00 9.04 O ATOM 2257 CB PRO B 117 16.479 -23.999 -32.939 1.00 8.20 C ATOM 2258 CG PRO B 117 17.836 -24.460 -32.577 1.00 9.88 C ATOM 2259 CD PRO B 117 18.735 -23.735 -33.519 1.00 8.24 C ATOM 2260 N VAL B 118 14.502 -22.909 -35.453 1.00 7.34 N ATOM 2261 CA VAL B 118 13.529 -21.873 -35.795 1.00 6.79 C ATOM 2262 C VAL B 118 12.139 -22.159 -35.224 1.00 7.90 C ATOM 2263 O VAL B 118 11.247 -21.334 -35.345 1.00 10.59 O ATOM 2264 CB VAL B 118 13.406 -21.672 -37.314 1.00 9.18 C ATOM 2265 CG1 VAL B 118 14.712 -21.175 -37.882 1.00 10.76 C ATOM 2266 CG2 VAL B 118 12.949 -22.944 -37.994 1.00 8.98 C ATOM 2267 H VAL B 118 14.274 -23.902 -35.661 1.00 0.00 H ATOM 2268 N HIS B 119 11.961 -23.313 -34.577 1.00 6.91 N ATOM 2269 CA HIS B 119 10.683 -23.753 -34.073 1.00 5.94 C ATOM 2270 C HIS B 119 10.901 -24.626 -32.830 1.00 8.92 C ATOM 2271 O HIS B 119 11.756 -25.520 -32.838 1.00 9.06 O ATOM 2272 CB HIS B 119 9.926 -24.509 -35.190 1.00 8.05 C ATOM 2273 CG HIS B 119 8.784 -25.335 -34.697 1.00 10.82 C ATOM 2274 ND1 HIS B 119 7.599 -24.780 -34.269 1.00 14.71 N ATOM 2275 CD2 HIS B 119 8.657 -26.674 -34.533 1.00 14.96 C ATOM 2276 CE1 HIS B 119 6.789 -25.743 -33.865 1.00 17.93 C ATOM 2277 NE2 HIS B 119 7.400 -26.900 -34.030 1.00 16.20 N ATOM 2278 H HIS B 119 12.787 -23.927 -34.428 1.00 0.00 H ATOM 2279 N PHE B 120 10.169 -24.320 -31.758 1.00 6.21 N ATOM 2280 CA PHE B 120 10.137 -25.164 -30.571 1.00 7.51 C ATOM 2281 C PHE B 120 8.950 -26.113 -30.674 1.00 8.70 C ATOM 2282 O PHE B 120 7.797 -25.665 -30.711 1.00 9.89 O ATOM 2283 CB PHE B 120 10.011 -24.361 -29.280 1.00 8.00 C ATOM 2284 CG PHE B 120 10.289 -25.192 -28.046 1.00 9.88 C ATOM 2285 CD1 PHE B 120 9.264 -25.883 -27.427 1.00 11.90 C ATOM 2286 CD2 PHE B 120 11.578 -25.325 -27.559 1.00 10.17 C ATOM 2287 CE1 PHE B 120 9.524 -26.682 -26.314 1.00 12.28 C ATOM 2288 CE2 PHE B 120 11.850 -26.119 -26.461 1.00 13.02 C ATOM 2289 CZ PHE B 120 10.826 -26.798 -25.844 1.00 13.68 C ATOM 2290 H PHE B 120 9.601 -23.449 -31.770 1.00 0.00 H ATOM 2291 N ASP B 121 9.213 -27.414 -30.759 1.00 9.14 N ATOM 2292 CA ASP B 121 8.104 -28.367 -30.915 1.00 8.75 C ATOM 2293 C ASP B 121 7.558 -28.919 -29.601 1.00 15.18 C ATOM 2294 O ASP B 121 6.350 -28.975 -29.408 1.00 17.20 O ATOM 2295 CB ASP B 121 8.512 -29.536 -31.790 1.00 11.80 C ATOM 2296 CG ASP B 121 7.309 -30.187 -32.464 1.00 21.35 C ATOM 2297 OD1 ASP B 121 6.623 -29.480 -33.237 1.00 19.37 O ATOM 2298 OD2 ASP B 121 7.045 -31.383 -32.216 1.00 26.52 O ATOM 2299 H ASP B 121 10.195 -27.754 -30.716 1.00 0.00 H ATOM 2300 N ALA B 122 8.449 -29.378 -28.732 1.00 9.20 N ATOM 2301 CA ALA B 122 8.041 -30.064 -27.512 1.00 13.39 C ATOM 2302 C ALA B 122 9.194 -30.257 -26.545 1.00 8.90 C ATOM 2303 O ALA B 122 10.340 -30.139 -26.924 1.00 10.22 O ATOM 2304 CB ALA B 122 7.451 -31.418 -27.859 1.00 21.22 C ATOM 2305 H ALA B 122 9.462 -29.245 -28.926 1.00 0.00 H ATOM 2306 N SER B 123 8.867 -30.548 -25.290 1.00 13.18 N ATOM 2307 CA SER B 123 9.830 -31.139 -24.355 1.00 13.18 C ATOM 2308 C SER B 123 9.375 -32.556 -24.022 1.00 14.81 C ATOM 2309 O SER B 123 8.170 -32.811 -23.942 1.00 20.99 O ATOM 2310 CB SER B 123 9.954 -30.297 -23.101 1.00 13.87 C ATOM 2311 OG SER B 123 8.712 -30.261 -22.439 1.00 21.00 O ATOM 2312 HG SER B 123 8.031 -29.865 -23.039 1.00 0.00 H ATOM 2313 H SER B 123 7.900 -30.351 -24.962 1.00 0.00 H ATOM 2314 N VAL B 124 10.313 -33.475 -23.835 1.00 13.16 N ATOM 2315 CA VAL B 124 9.967 -34.890 -23.640 1.00 15.48 C ATOM 2316 C VAL B 124 10.890 -35.654 -22.677 1.00 25.41 C ATOM 2317 O VAL B 124 10.564 -36.791 -22.301 1.00 27.54 O ATOM 2318 CB VAL B 124 9.966 -35.639 -24.980 1.00 21.12 C ATOM 2319 CG1 VAL B 124 8.883 -35.097 -25.886 1.00 36.51 C ATOM 2320 CG2 VAL B 124 11.330 -35.548 -25.638 1.00 21.66 C ATOM 2321 OXT VAL B 124 11.968 -35.210 -22.249 1.00 20.03 O ATOM 2322 H VAL B 124 11.313 -33.189 -23.826 1.00 0.00 H TER 2323 VAL B 124 HETATM 2324 O HOH 1 18.747 -15.831 15.326 1.00 29.82 O HETATM 2325 O HOH 2 8.592 -2.377 -3.052 1.00 26.96 O HETATM 2326 O HOH 3 16.210 -2.525 -6.429 1.00 40.16 O HETATM 2327 O HOH 4 22.758 -1.175 -15.071 1.00 32.89 O HETATM 2328 O HOH 5 22.170 -3.386 5.588 1.00 20.81 O HETATM 2329 O HOH 6 19.914 -3.044 -6.849 1.00 34.59 O HETATM 2330 O HOH 7 6.605 0.876 -3.936 1.00 40.14 O HETATM 2331 O HOH 8 13.395 -6.112 -4.110 1.00 15.01 O HETATM 2332 O HOH 9 2.287 -17.084 -1.357 1.00 31.87 O HETATM 2333 O HOH 10 39.199 -8.726 -7.122 1.00 20.13 O HETATM 2334 O HOH 11 1.217 -12.411 2.189 1.00 20.85 O HETATM 2335 O HOH 12 3.622 -2.046 5.065 1.00 27.33 O HETATM 2336 O HOH 13 -1.574 -5.926 0.958 1.00 21.50 O HETATM 2337 O HOH 14 16.955 -25.884 4.292 1.00 27.38 O HETATM 2338 O HOH 15 3.659 -13.173 1.567 1.00 34.67 O HETATM 2339 O HOH 16 23.059 -16.610 16.194 1.00 25.67 O HETATM 2340 O HOH 17 26.599 -27.845 -4.584 1.00 12.25 O HETATM 2341 O HOH 18 40.233 -11.261 -0.487 1.00 19.37 O HETATM 2342 O HOH 19 27.306 -27.136 5.945 1.00 40.85 O HETATM 2343 O HOH 20 18.051 -21.827 -6.575 1.00 19.80 O HETATM 2344 O HOH 21 11.442 -24.286 4.417 1.00 12.97 O HETATM 2345 O HOH 22 23.288 -28.961 2.023 1.00 19.73 O HETATM 2346 O HOH 23 30.570 -23.370 -5.391 1.00 17.57 O HETATM 2347 O HOH 24 20.510 -19.994 -9.067 1.00 25.83 O HETATM 2348 O HOH 25 4.020 -19.284 -2.466 1.00 25.64 O HETATM 2349 O HOH 26 26.723 -10.596 -11.929 1.00 20.63 O HETATM 2350 O HOH 27 9.123 4.963 11.212 1.00 35.60 O HETATM 2351 O HOH 28 2.505 -13.561 4.541 1.00 19.77 O HETATM 2352 O HOH 29 21.185 -8.286 13.708 1.00 14.34 O HETATM 2353 O HOH 30 15.751 -4.651 11.406 1.00 10.01 O HETATM 2354 O HOH 31 13.310 0.636 2.017 1.00 12.89 O HETATM 2355 O HOH 32 14.393 -26.421 5.980 1.00 36.48 O HETATM 2356 O HOH 33 14.126 -23.390 12.788 1.00 28.13 O HETATM 2357 O HOH 34 24.428 -9.869 -14.494 1.00 43.96 O HETATM 2358 O HOH 35 16.423 -0.506 6.685 1.00 10.51 O HETATM 2359 O HOH 36 25.585 -2.532 3.479 1.00 26.05 O HETATM 2360 O HOH 37 8.495 -5.764 17.647 1.00 20.74 O HETATM 2361 O HOH 38 -2.907 -8.302 0.115 1.00 20.92 O HETATM 2362 O HOH 39 16.395 6.945 10.002 1.00 23.17 O HETATM 2363 O HOH 40 11.192 -22.520 -3.059 1.00 25.01 O HETATM 2364 O HOH 41 4.627 -1.906 2.998 1.00 23.94 O HETATM 2365 O HOH 42 28.916 -18.007 -11.405 1.00 20.95 O HETATM 2366 O HOH 43 12.233 -8.755 17.872 1.00 9.08 O HETATM 2367 O HOH 44 3.912 0.621 -1.017 1.00 33.34 O HETATM 2368 O HOH 45 29.555 -20.485 9.999 1.00 35.46 O HETATM 2369 O HOH 46 -1.617 -12.311 6.988 1.00 41.10 O HETATM 2370 O HOH 47 23.365 -29.785 4.617 1.00 27.42 O HETATM 2371 O HOH 48 10.592 2.885 13.980 1.00 29.08 O HETATM 2372 O HOH 49 11.524 -14.607 16.448 1.00 17.42 O HETATM 2373 O HOH 50 18.567 -29.152 -6.011 1.00 13.04 O HETATM 2374 O HOH 51 15.510 0.328 14.061 1.00 28.82 O HETATM 2375 O HOH 52 20.854 -18.141 15.799 1.00 11.86 O HETATM 2376 O HOH 53 14.038 -0.699 5.205 1.00 10.92 O HETATM 2377 O HOH 54 39.894 -9.899 -4.711 1.00 18.38 O HETATM 2378 O HOH 55 -3.396 -4.523 -5.867 1.00 35.11 O HETATM 2379 O HOH 56 19.370 0.253 13.174 1.00 23.21 O HETATM 2380 O HOH 57 13.358 -23.027 9.238 1.00 26.73 O HETATM 2381 O HOH 58 15.846 -23.786 11.496 1.00 43.85 O HETATM 2382 O HOH 59 32.731 -17.104 -1.842 1.00 15.16 O HETATM 2383 O HOH 60 42.458 -4.818 -4.743 1.00 25.90 O HETATM 2384 O HOH 61 38.538 -8.617 3.680 1.00 30.00 O HETATM 2385 O HOH 62 31.079 -8.936 -12.555 1.00 27.57 O HETATM 2386 O HOH 63 16.612 -17.901 18.463 1.00 8.20 O HETATM 2387 O HOH 64 21.083 -24.990 9.089 1.00 29.43 O HETATM 2388 O HOH 65 22.135 -11.375 16.793 1.00 40.52 O HETATM 2389 O HOH 66 26.848 -18.643 11.954 1.00 19.65 O HETATM 2390 O HOH 67 36.272 -14.253 10.898 1.00 58.15 O HETATM 2391 O HOH 68 20.675 -4.531 -5.458 1.00 35.62 O HETATM 2392 O HOH 69 11.989 -3.630 16.421 1.00 12.83 O HETATM 2393 O HOH 70 13.545 -25.944 -4.631 1.00 26.54 O HETATM 2394 O HOH 71 31.891 -2.211 -7.072 1.00 29.97 O HETATM 2395 O HOH 72 27.440 -27.786 3.615 1.00 25.24 O HETATM 2396 O HOH 73 15.421 -7.687 -2.392 1.00 9.34 O HETATM 2397 O HOH 74 30.594 -21.066 7.221 1.00 23.85 O HETATM 2398 O HOH 75 11.393 -20.424 17.370 1.00 23.43 O HETATM 2399 O HOH 76 -0.411 -11.660 11.288 1.00 36.22 O HETATM 2400 O HOH 77 1.929 -2.544 0.702 1.00 22.02 O HETATM 2401 O HOH 78 41.066 -3.201 1.748 1.00 33.57 O HETATM 2402 O HOH 79 39.673 -6.538 -10.975 1.00 32.30 O HETATM 2403 O HOH 80 10.024 -7.884 21.401 1.00 32.11 O HETATM 2404 O HOH 81 22.684 -7.033 11.825 1.00 23.50 O HETATM 2405 O HOH 82 16.815 -24.809 9.608 1.00 36.43 O HETATM 2406 O HOH 83 37.418 -19.680 -4.272 1.00 34.88 O HETATM 2407 O HOH 84 37.735 -15.081 -4.401 1.00 31.49 O HETATM 2408 O HOH 85 27.127 3.584 -7.770 1.00 29.93 O HETATM 2409 O HOH 86 8.926 -2.880 -10.268 1.00 50.07 O HETATM 2410 O HOH 87 37.185 -14.961 -1.729 1.00 19.60 O HETATM 2411 O HOH 88 9.165 -16.999 18.187 1.00 36.89 O HETATM 2412 O HOH 89 24.297 -3.966 5.311 1.00 24.07 O HETATM 2413 O HOH 90 11.266 -24.965 -2.279 1.00 38.65 O HETATM 2414 O HOH 91 18.475 -26.512 6.464 1.00 36.71 O HETATM 2415 O HOH 92 24.230 -2.239 10.570 1.00 31.14 O HETATM 2416 O HOH 93 25.642 -28.495 1.475 1.00 21.67 O HETATM 2417 O HOH 94 20.710 -26.317 7.276 1.00 35.69 O HETATM 2418 O HOH 95 9.656 -13.466 15.835 1.00 34.54 O HETATM 2419 O HOH 96 19.990 2.417 8.915 1.00 25.61 O HETATM 2420 O HOH 97 2.969 -17.996 9.409 1.00 18.60 O HETATM 2421 O HOH 98 28.745 -27.521 7.885 1.00 40.27 O HETATM 2422 O HOH 99 17.980 -4.592 13.052 1.00 19.10 O HETATM 2423 O HOH 100 21.577 -14.004 18.863 1.00 45.49 O HETATM 2424 O HOH 101 9.398 -23.737 -2.641 1.00 32.91 O HETATM 2425 O HOH 102 20.729 -1.328 -13.512 1.00 48.44 O HETATM 2426 O HOH 103 27.457 -1.332 -4.529 1.00 33.20 O HETATM 2427 O HOH 104 33.619 -24.700 -5.853 1.00 24.90 O HETATM 2428 O HOH 105 31.717 -21.577 4.262 1.00 33.06 O HETATM 2429 O HOH 106 30.478 -23.263 3.282 1.00 36.26 O HETATM 2430 O HOH 107 22.494 -1.572 6.626 1.00 32.90 O HETATM 2431 O HOH 108 24.199 -24.359 8.096 1.00 36.66 O HETATM 2432 O HOH 109 8.302 -26.651 2.189 1.00 38.47 O HETATM 2433 O HOH 110 41.857 -1.674 0.105 1.00 48.31 O HETATM 2434 O HOH 111 18.827 -16.787 17.075 1.00 26.82 O HETATM 2435 O HOH 112 30.482 -26.814 6.238 1.00 51.12 O HETATM 2436 O HOH 113 22.348 -25.137 11.656 1.00 35.36 O HETATM 2437 O HOH 114 3.283 -15.510 18.249 1.00 40.37 O HETATM 2438 O HOH 115 0.829 -2.288 5.940 1.00 39.50 O HETATM 2439 O HOH 116 25.787 -2.455 -5.344 1.00 35.02 O HETATM 2440 O HOH 117 1.901 -15.038 -2.229 1.00 23.05 O HETATM 2441 O HOH 118 20.615 -26.917 10.501 1.00 41.59 O HETATM 2442 O HOH 119 4.863 -20.512 7.945 1.00 26.40 O HETATM 2443 O HOH 120 18.407 -27.129 10.183 1.00 46.81 O HETATM 2444 O HOH 121 9.404 -20.836 9.234 1.00 18.67 O HETATM 2445 O HOH 122 19.773 -26.657 12.875 1.00 41.72 O HETATM 2446 O HOH 123 38.262 -19.302 -6.915 1.00 38.31 O HETATM 2447 O HOH 124 5.440 -21.611 -3.196 1.00 31.24 O HETATM 2448 O HOH 125 -0.293 -4.213 5.688 1.00 39.35 O HETATM 2449 O HOH 126 14.824 -1.165 -8.236 1.00 37.40 O HETATM 2450 O HOH 127 5.758 -24.814 -0.125 1.00 29.67 O HETATM 2451 O HOH 128 32.076 -19.634 8.572 1.00 47.45 O HETATM 2452 O HOH 129 29.131 -0.951 1.956 1.00 35.23 O HETATM 2453 O HOH 130 5.113 -11.606 18.309 1.00 34.33 O HETATM 2454 O HOH 131 32.481 -0.631 -9.364 1.00 41.13 O HETATM 2455 O HOH 132 27.305 -15.876 11.754 1.00 30.81 O HETATM 2456 O HOH 133 25.332 -28.543 6.750 1.00 43.37 O HETATM 2457 O HOH 134 3.606 -17.557 17.318 1.00 39.61 O HETATM 2458 O HOH 135 7.364 -26.747 -0.128 1.00 35.15 O HETATM 2459 O HOH 136 8.994 -14.480 18.066 1.00 32.07 O HETATM 2460 O HOH 137 40.213 -14.233 7.545 1.00 36.87 O HETATM 2461 O HOH 138 6.552 -18.531 18.064 1.00 42.97 O HETATM 2462 O HOH 139 -1.360 -14.528 -4.160 1.00 18.70 O HETATM 2463 O HOH 140 31.057 -25.500 8.282 1.00 53.03 O HETATM 2464 O HOH 141 3.847 0.057 14.505 1.00 54.06 O HETATM 2465 O HOH 142 -0.290 -4.062 12.465 1.00 49.38 O HETATM 2466 O HOH 143 31.573 -1.830 1.968 1.00 49.16 O HETATM 2467 O HOH 144 2.070 2.920 13.454 1.00 49.95 O HETATM 2468 O HOH 145 21.132 -9.162 2.444 1.00 6.05 O HETATM 2469 O HOH 146 9.355 -11.872 -2.806 1.00 8.02 O HETATM 2470 O HOH 147 7.601 -19.307 7.926 1.00 10.62 O HETATM 2471 O HOH 148 9.256 -18.493 10.869 1.00 12.55 O HETATM 2472 O HOH 149 7.391 -13.477 -3.712 1.00 11.01 O HETATM 2473 O HOH 150 5.148 -6.889 -3.747 1.00 13.26 O HETATM 2474 O HOH 151 5.177 -12.592 -5.148 1.00 14.99 O HETATM 2475 O HOH 152 7.184 -22.821 -1.589 1.00 13.51 O HETATM 2476 O HOH 153 2.923 -8.439 -4.345 1.00 13.78 O HETATM 2477 O HOH 154 3.631 -8.439 15.314 1.00 19.34 O HETATM 2478 O HOH 155 12.184 -18.180 -5.357 1.00 21.60 O HETATM 2479 O HOH 156 31.595 -12.911 -7.596 1.00 20.71 O HETATM 2480 O HOH 157 15.177 -21.013 -4.858 1.00 21.60 O HETATM 2481 O HOH 158 22.268 -8.544 9.722 1.00 20.30 O HETATM 2482 O HOH 159 6.552 -6.538 -6.072 1.00 16.15 O HETATM 2483 O HOH 160 30.328 -13.876 5.187 1.00 16.08 O HETATM 2484 O HOH 161 3.829 -10.428 -6.004 1.00 20.91 O HETATM 2485 O HOH 162 1.690 -6.176 -5.522 1.00 24.32 O HETATM 2486 O HOH 163 20.601 -7.361 4.753 1.00 22.46 O HETATM 2487 O HOH 164 2.992 -14.380 -4.808 1.00 22.17 O HETATM 2488 O HOH 165 12.447 -20.415 -4.104 1.00 24.02 O HETATM 2489 O HOH 166 22.279 -11.658 7.245 1.00 25.40 O HETATM 2490 O HOH 167 5.454 -9.301 -8.330 1.00 29.21 O HETATM 2491 O HOH 168 7.278 -3.934 -7.719 1.00 32.64 O HETATM 2492 O HOH 169 31.380 -11.449 -9.806 1.00 26.01 O HETATM 2493 O HOH 170 25.235 -4.691 -7.622 1.00 28.27 O HETATM 2494 O HOH 171 34.768 -3.388 -4.425 1.00 27.25 O HETATM 2495 O HOH 172 7.117 -20.376 11.965 1.00 31.58 O HETATM 2496 O HOH 173 31.435 -2.743 -3.541 1.00 31.53 O HETATM 2497 O HOH 174 2.049 -9.805 11.715 1.00 30.26 O HETATM 2498 O HOH 175 3.016 -7.230 -9.510 1.00 45.27 O HETATM 2499 O HOH 176 32.631 -3.676 0.396 1.00 31.63 O HETATM 2500 O HOH 177 3.700 -11.328 16.369 1.00 28.04 O HETATM 2501 O HOH 178 3.594 -3.858 -5.260 1.00 35.26 O HETATM 2502 O HOH 179 34.896 -2.891 -6.952 1.00 27.82 O HETATM 2503 O HOH 180 34.671 -10.151 3.965 1.00 23.61 O HETATM 2504 O HOH 181 5.211 -6.897 16.921 1.00 27.02 O HETATM 2505 O HOH 182 21.923 -5.720 7.450 1.00 25.67 O HETATM 2506 O HOH 183 4.510 -6.963 -7.706 1.00 33.98 O HETATM 2507 O HOH 184 27.959 -17.417 -13.586 1.00 34.10 O HETATM 2508 O HOH 185 14.986 -23.525 -6.270 1.00 30.46 O HETATM 2509 O HOH 186 15.439 -19.925 -6.907 1.00 36.75 O HETATM 2510 O HOH 187 13.714 -12.219 -10.883 1.00 32.38 O HETATM 2511 O HOH 188 32.762 -12.522 -11.771 1.00 38.88 O HETATM 2512 O HOH 189 31.723 -17.468 -11.470 1.00 33.32 O HETATM 2513 O HOH 190 19.023 -9.576 -13.710 1.00 38.21 O HETATM 2514 O HOH 191 23.864 -6.415 6.097 1.00 39.35 O HETATM 2515 O HOH 192 36.259 -3.923 -1.675 1.00 38.59 O HETATM 2516 O HOH 193 36.191 -1.245 -7.668 1.00 41.22 O HETATM 2517 O HOH 194 22.218 -9.036 6.823 1.00 33.66 O HETATM 2518 O HOH 195 22.664 -9.048 3.935 1.00 39.48 O HETATM 2519 O HOH 196 1.437 -6.793 14.103 1.00 37.32 O HETATM 2520 O HOH 197 24.041 -13.644 9.771 1.00 32.01 O HETATM 2521 O HOH 198 19.836 -14.488 -12.395 1.00 32.36 O HETATM 2522 O HOH 199 1.968 -4.132 14.307 1.00 34.27 O HETATM 2523 O HOH 200 24.734 -22.031 4.472 1.00 10.50 O HETATM 2524 O HOH 201 23.043 -22.537 6.653 1.00 11.70 O HETATM 2525 O HOH 202 5.510 -22.211 10.241 1.00 39.27 O HETATM 2526 O HOH 203 7.598 -1.507 15.739 1.00 48.20 O HETATM 2527 O HOH 204 23.450 -10.843 11.949 1.00 40.70 O HETATM 2528 O HOH 205 15.207 -17.633 -6.644 1.00 24.79 O HETATM 2529 O HOH 206 5.663 1.005 15.566 1.00 51.71 O HETATM 2530 O HOH 207 20.770 -7.329 -7.955 1.00 26.69 O HETATM 2531 O HOH 208 35.419 -18.344 -7.677 1.00 37.04 O HETATM 2532 O HOH 209 7.310 -1.943 13.371 1.00 33.93 O HETATM 2533 O HOH 210 33.318 -5.498 3.309 1.00 40.18 O HETATM 2534 O HOH 211 14.054 -4.276 -14.412 1.00 47.65 O HETATM 2535 O HOH 212 16.975 -18.463 -9.432 1.00 38.10 O HETATM 2536 O HOH 213 35.247 -16.322 -8.677 1.00 38.75 O HETATM 2537 O HOH 214 32.015 -8.190 -10.645 1.00 47.20 O HETATM 2538 O HOH 215 1.756 -6.567 17.011 1.00 54.08 O HETATM 2539 O HOH 216 31.255 -0.709 -11.391 1.00 42.47 O HETATM 2540 O HOH 217 1.640 -6.675 11.788 1.00 44.72 O HETATM 2541 O HOH 218 5.709 -3.545 -9.218 1.00 40.97 O HETATM 2542 O HOH 219 7.982 -7.684 -14.407 1.00 23.68 O HETATM 2543 O HOH 220 1.274 -8.725 8.292 1.00 25.38 O HETATM 2544 O HOH 221 6.694 -24.478 2.952 1.00 34.72 O HETATM 2545 O HOH 222 31.284 -5.789 2.482 1.00 42.99 O HETATM 2546 O HOH 223 28.730 -2.775 3.616 1.00 39.84 O HETATM 2547 O HOH 224 13.919 -29.262 -38.789 1.00 28.65 O HETATM 2548 O HOH 225 21.081 -38.980 -33.833 1.00 52.28 O HETATM 2549 O HOH 226 15.945 -40.447 -35.063 1.00 33.76 O HETATM 2550 O HOH 227 8.379 -27.573 -41.845 1.00 44.98 O HETATM 2551 O HOH 228 -12.678 -8.564 -15.855 1.00 29.96 O HETATM 2552 O HOH 229 10.405 -23.993 -40.371 1.00 42.75 O HETATM 2553 O HOH 230 16.808 -37.973 -26.347 1.00 16.26 O HETATM 2554 O HOH 231 11.340 -13.232 -38.011 1.00 33.44 O HETATM 2555 O HOH 232 -5.506 -17.976 -24.093 1.00 26.53 O HETATM 2556 O HOH 233 13.645 -40.621 -29.074 1.00 37.65 O HETATM 2557 O HOH 234 21.140 -26.921 -17.208 1.00 24.73 O HETATM 2558 O HOH 235 -6.900 -16.371 -21.326 1.00 26.76 O HETATM 2559 O HOH 236 -2.429 -22.421 -21.042 1.00 38.30 O HETATM 2560 O HOH 237 10.468 -5.039 -27.867 1.00 41.37 O HETATM 2561 O HOH 238 19.365 -16.388 -27.380 1.00 18.20 O HETATM 2562 O HOH 239 4.628 -30.263 -27.910 1.00 30.02 O HETATM 2563 O HOH 240 22.502 -15.486 -32.362 1.00 26.49 O HETATM 2564 O HOH 241 22.751 -25.739 -43.610 1.00 33.00 O HETATM 2565 O HOH 242 24.192 -25.010 -21.599 1.00 13.38 O HETATM 2566 O HOH 243 -10.406 -10.123 -23.066 1.00 40.28 O HETATM 2567 O HOH 244 21.326 -17.162 -25.635 1.00 21.88 O HETATM 2568 O HOH 245 24.653 -36.073 -36.353 1.00 16.42 O HETATM 2569 O HOH 246 -4.362 -15.185 -12.330 1.00 36.03 O HETATM 2570 O HOH 247 20.836 -19.676 -40.059 1.00 9.77 O HETATM 2571 O HOH 248 9.976 -12.003 -36.793 1.00 26.62 O HETATM 2572 O HOH 249 -5.266 -17.138 -26.154 1.00 37.89 O HETATM 2573 O HOH 250 24.113 -18.886 -45.221 1.00 10.17 O HETATM 2574 O HOH 251 13.568 -34.551 -41.838 1.00 55.69 O HETATM 2575 O HOH 252 6.536 -31.566 -18.690 1.00 35.28 O HETATM 2576 O HOH 253 20.864 -24.269 -16.688 1.00 27.13 O HETATM 2577 O HOH 254 12.253 -38.932 -22.549 1.00 31.96 O HETATM 2578 O HOH 255 21.007 -40.933 -32.359 1.00 13.70 O HETATM 2579 O HOH 256 5.239 -36.527 -42.682 1.00 44.87 O HETATM 2580 O HOH 257 16.119 -37.047 -19.126 1.00 28.80 O HETATM 2581 O HOH 258 9.605 -9.248 -34.430 1.00 32.18 O HETATM 2582 O HOH 259 14.360 -1.618 -41.710 1.00 28.26 O HETATM 2583 O HOH 260 -11.710 -19.181 -14.793 1.00 16.23 O HETATM 2584 O HOH 261 17.052 -3.330 -41.955 1.00 14.78 O HETATM 2585 O HOH 262 19.103 -16.211 -39.132 1.00 28.35 O HETATM 2586 O HOH 263 -9.925 -16.166 -17.321 1.00 36.07 O HETATM 2587 O HOH 264 -11.277 -16.693 -11.310 1.00 41.76 O HETATM 2588 O HOH 265 12.857 -8.678 -25.592 1.00 19.37 O HETATM 2589 O HOH 266 21.617 -37.703 -36.566 1.00 28.28 O HETATM 2590 O HOH 267 27.666 -24.104 -41.455 1.00 37.61 O HETATM 2591 O HOH 268 -6.113 -14.137 -25.038 1.00 24.21 O HETATM 2592 O HOH 269 18.063 -20.145 -39.756 1.00 9.12 O HETATM 2593 O HOH 270 13.568 -31.540 -12.503 1.00 23.43 O HETATM 2594 O HOH 271 20.478 -37.145 -21.264 1.00 11.14 O HETATM 2595 O HOH 272 12.492 -9.978 -18.433 1.00 40.05 O HETATM 2596 O HOH 273 19.165 -30.883 -16.951 1.00 11.58 O HETATM 2597 O HOH 274 14.477 -27.293 -13.095 1.00 30.83 O HETATM 2598 O HOH 275 19.818 -13.550 -37.165 1.00 20.89 O HETATM 2599 O HOH 276 12.607 -1.634 -40.088 1.00 31.30 O HETATM 2600 O HOH 277 8.120 -33.614 -43.222 1.00 31.88 O HETATM 2601 O HOH 278 9.951 -30.952 -12.583 1.00 42.24 O HETATM 2602 O HOH 279 25.435 -25.477 -39.306 1.00 26.45 O HETATM 2603 O HOH 280 5.911 -30.734 -25.055 1.00 27.54 O HETATM 2604 O HOH 281 -7.712 -14.029 -22.563 1.00 25.99 O HETATM 2605 O HOH 282 17.289 -24.977 -44.467 1.00 16.35 O HETATM 2606 O HOH 283 -4.815 -21.128 -21.381 1.00 29.20 O HETATM 2607 O HOH 284 25.903 -32.494 -22.041 1.00 32.80 O HETATM 2608 O HOH 285 15.479 -35.175 -15.572 1.00 26.93 O HETATM 2609 O HOH 286 19.349 -27.981 -14.004 1.00 24.48 O HETATM 2610 O HOH 287 24.542 -17.671 -33.005 1.00 29.41 O HETATM 2611 O HOH 288 25.873 -31.566 -38.585 1.00 42.37 O HETATM 2612 O HOH 289 -1.391 -32.521 -38.300 1.00 44.83 O HETATM 2613 O HOH 290 22.791 -18.530 -13.812 1.00 40.83 O HETATM 2614 O HOH 291 13.815 -8.303 -32.217 1.00 21.71 O HETATM 2615 O HOH 292 20.816 -18.268 -12.358 1.00 23.54 O HETATM 2616 O HOH 293 25.798 -32.241 -31.158 1.00 25.31 O HETATM 2617 O HOH 294 11.327 -6.073 -40.222 1.00 12.00 O HETATM 2618 O HOH 295 19.280 -15.493 -23.705 1.00 13.68 O HETATM 2619 O HOH 296 29.206 -22.488 -45.653 1.00 32.47 O HETATM 2620 O HOH 297 18.523 -11.684 -16.891 1.00 41.62 O HETATM 2621 O HOH 298 24.412 -23.039 -47.687 1.00 25.21 O HETATM 2622 O HOH 299 12.501 -35.894 -17.779 1.00 31.58 O HETATM 2623 O HOH 300 24.578 -23.291 -14.915 1.00 37.32 O HETATM 2624 O HOH 301 7.217 -12.135 -36.640 1.00 39.00 O HETATM 2625 O HOH 302 19.611 -13.599 -33.055 1.00 31.17 O HETATM 2626 O HOH 303 14.727 -40.373 -21.511 1.00 39.86 O HETATM 2627 O HOH 304 20.430 -15.217 -34.850 1.00 34.63 O HETATM 2628 O HOH 305 18.080 -40.115 -35.928 1.00 31.64 O HETATM 2629 O HOH 306 7.278 -23.160 -41.061 1.00 55.98 O HETATM 2630 O HOH 307 18.905 -13.002 -21.405 1.00 27.78 O HETATM 2631 O HOH 308 -14.655 -9.573 -19.511 1.00 32.18 O HETATM 2632 O HOH 309 12.121 -2.331 -38.069 1.00 33.89 O HETATM 2633 O HOH 310 27.389 -30.451 -32.251 1.00 34.98 O HETATM 2634 O HOH 311 26.347 -33.094 -28.128 1.00 32.34 O HETATM 2635 O HOH 312 10.631 -15.335 -38.795 1.00 42.27 O HETATM 2636 O HOH 313 11.471 -5.157 -37.606 1.00 31.38 O HETATM 2637 O HOH 314 -0.463 -26.909 -14.953 1.00 35.70 O HETATM 2638 O HOH 315 16.396 -30.682 -44.061 1.00 49.45 O HETATM 2639 O HOH 316 16.290 -25.188 -9.410 1.00 38.06 O HETATM 2640 O HOH 317 5.708 -28.924 -24.000 1.00 36.72 O HETATM 2641 O HOH 318 16.341 -26.729 -12.329 1.00 34.97 O HETATM 2642 O HOH 319 12.887 -35.003 -14.371 1.00 35.57 O HETATM 2643 O HOH 320 12.317 -7.480 -18.036 1.00 49.60 O HETATM 2644 O HOH 321 28.052 -30.838 -37.242 1.00 36.17 O HETATM 2645 O HOH 322 -5.038 -12.724 -12.838 1.00 38.79 O HETATM 2646 O HOH 323 7.121 -36.967 -44.631 1.00 47.79 O HETATM 2647 O HOH 324 19.355 -32.517 -14.627 1.00 16.41 O HETATM 2648 O HOH 325 14.676 -7.893 -19.244 1.00 43.20 O HETATM 2649 O HOH 326 4.272 -14.279 -38.365 1.00 56.65 O HETATM 2650 O HOH 327 6.893 -10.020 -34.250 1.00 54.79 O HETATM 2651 O HOH 328 26.116 -30.394 -27.323 1.00 32.82 O HETATM 2652 O HOH 329 9.946 -20.889 -39.036 1.00 35.79 O HETATM 2653 O HOH 330 5.553 -16.100 -39.147 1.00 48.60 O HETATM 2654 O HOH 331 25.765 -23.800 -19.924 1.00 34.42 O HETATM 2655 O HOH 332 6.920 -13.592 -39.316 1.00 43.97 O HETATM 2656 O HOH 333 0.643 -14.229 -32.332 1.00 57.62 O HETATM 2657 O HOH 334 -0.891 -14.216 -11.327 1.00 45.88 O HETATM 2658 O HOH 335 28.133 -29.006 -28.641 1.00 38.63 O HETATM 2659 O HOH 336 -4.218 -19.021 -28.457 1.00 32.67 O HETATM 2660 O HOH 337 9.470 -18.006 -37.458 1.00 35.03 O HETATM 2661 O HOH 338 -9.651 -11.541 -25.171 1.00 38.62 O HETATM 2662 O HOH 339 -12.658 -8.854 -21.259 1.00 38.71 O HETATM 2663 O HOH 340 24.011 -16.165 -25.781 1.00 24.63 O HETATM 2664 O HOH 341 12.443 0.737 -40.693 1.00 27.05 O HETATM 2665 O HOH 342 3.683 -27.120 -23.968 1.00 30.59 O HETATM 2666 O HOH 343 21.299 -17.683 -38.139 1.00 13.88 O HETATM 2667 O HOH 344 22.315 -28.648 -43.107 1.00 39.75 O HETATM 2668 O HOH 345 8.804 -21.260 -37.132 1.00 43.06 O HETATM 2669 O HOH 346 9.683 -38.504 -26.620 1.00 47.38 O HETATM 2670 O HOH 347 28.735 -23.647 -31.639 1.00 39.45 O HETATM 2671 O HOH 348 30.760 -27.118 -22.788 1.00 52.89 O HETATM 2672 O HOH 349 11.446 -27.128 -6.708 1.00 53.15 O HETATM 2673 O HOH 350 17.787 -19.979 -33.226 1.00 8.60 O HETATM 2674 O HOH 351 11.078 -18.771 -35.242 1.00 10.94 O HETATM 2675 O HOH 352 20.392 -19.065 -33.356 1.00 12.76 O HETATM 2676 O HOH 353 21.860 -32.286 -26.344 1.00 13.77 O HETATM 2677 O HOH 354 4.860 -16.158 -13.486 1.00 15.28 O HETATM 2678 O HOH 355 10.073 -19.498 -32.442 1.00 13.16 O HETATM 2679 O HOH 356 6.443 -23.478 -26.393 1.00 15.79 O HETATM 2680 O HOH 357 23.481 -30.140 -27.051 1.00 15.11 O HETATM 2681 O HOH 358 4.460 -19.005 -10.689 1.00 16.50 O HETATM 2682 O HOH 359 26.608 -20.065 -26.560 1.00 17.24 O HETATM 2683 O HOH 360 21.662 -17.995 -35.461 1.00 16.47 O HETATM 2684 O HOH 361 15.790 -13.526 -17.470 1.00 25.19 O HETATM 2685 O HOH 362 6.101 -12.944 -30.683 1.00 23.00 O HETATM 2686 O HOH 363 12.058 -13.370 -12.178 1.00 21.40 O HETATM 2687 O HOH 364 24.109 -28.246 -35.028 1.00 23.58 O HETATM 2688 O HOH 365 7.737 -27.791 -22.815 1.00 25.83 O HETATM 2689 O HOH 366 26.692 -25.674 -31.327 1.00 19.82 O HETATM 2690 O HOH 367 4.023 -8.846 -24.640 1.00 24.83 O HETATM 2691 O HOH 368 2.670 -11.491 -18.868 1.00 20.45 O HETATM 2692 O HOH 369 4.706 -16.485 -5.310 1.00 17.28 O HETATM 2693 O HOH 370 27.043 -18.608 -28.759 1.00 30.64 O HETATM 2694 O HOH 371 28.938 -21.391 -25.307 1.00 25.23 O HETATM 2695 O HOH 372 -8.477 -8.586 -18.132 1.00 33.13 O HETATM 2696 O HOH 373 28.153 -23.698 -24.141 1.00 30.62 O HETATM 2697 O HOH 374 21.682 -32.244 -39.056 1.00 30.69 O HETATM 2698 O HOH 375 3.749 -13.769 -9.222 1.00 34.32 O HETATM 2699 O HOH 376 26.189 -17.360 -18.120 1.00 47.29 O HETATM 2700 O HOH 377 5.689 -13.023 -7.529 1.00 30.22 O HETATM 2701 O HOH 378 7.690 -26.258 -10.925 1.00 32.35 O HETATM 2702 O HOH 379 1.494 -10.079 -20.549 1.00 39.74 O HETATM 2703 O HOH 380 5.379 -22.455 -28.681 1.00 31.90 O HETATM 2704 O HOH 381 13.301 -35.991 -20.634 1.00 31.61 O HETATM 2705 O HOH 382 6.227 -23.465 -30.690 1.00 33.13 O HETATM 2706 O HOH 383 5.427 -24.964 -24.245 1.00 28.75 O HETATM 2707 O HOH 384 -5.354 -11.144 -15.144 1.00 36.93 O HETATM 2708 O HOH 385 3.638 -23.508 -15.812 1.00 30.06 O HETATM 2709 O HOH 386 9.364 -8.218 -30.647 1.00 27.62 O HETATM 2710 O HOH 387 12.150 -39.780 -26.107 1.00 34.47 O HETATM 2711 O HOH 388 25.687 -21.564 -35.204 1.00 31.40 O HETATM 2712 O HOH 389 26.688 -23.328 -32.852 1.00 32.06 O HETATM 2713 O HOH 390 -10.465 -7.827 -20.841 1.00 34.07 O HETATM 2714 O HOH 391 -0.764 -8.787 -20.007 1.00 34.09 O HETATM 2715 O HOH 392 24.899 -18.686 -24.924 1.00 14.87 O HETATM 2716 O HOH 393 24.378 -18.427 -35.103 1.00 33.16 O HETATM 2717 O HOH 394 17.874 -18.704 -11.535 1.00 28.81 O HETATM 2718 O HOH 395 4.823 -26.203 -30.509 1.00 41.70 O HETATM 2719 O HOH 396 25.694 -18.836 -22.239 1.00 28.70 O HETATM 2720 O HOH 397 22.789 -22.220 -17.838 1.00 46.14 O HETATM 2721 O HOH 398 14.589 -25.778 -14.798 1.00 13.19 O HETATM 2722 O HOH 399 5.468 -20.620 -7.826 1.00 48.23 O HETATM 2723 O HOH 400 6.818 -19.686 -30.424 1.00 28.78 O HETATM 2724 O HOH 401 27.261 -27.745 -32.586 1.00 47.75 O HETATM 2725 O HOH 402 -0.101 -8.113 -18.089 1.00 51.38 O HETATM 2726 O HOH 403 20.300 -29.253 -43.929 1.00 44.01 O HETATM 2727 O HOH 404 26.347 -21.444 -19.541 1.00 35.32 O HETATM 2728 O HOH 405 2.951 -10.185 -10.245 1.00 39.31 O HETATM 2729 O HOH 406 3.148 -8.833 -16.597 1.00 49.41 O HETATM 2730 O HOH 407 4.891 -8.718 -14.031 1.00 27.36 O HETATM 2731 O HOH 408 13.338 -23.277 -14.500 1.00 14.84 O HETATM 2732 O HOH 409 8.168 -5.794 -20.224 1.00 33.29 O HETATM 2733 O HOH 410 18.726 -16.352 -11.754 1.00 36.40 O HETATM 2734 O HOH 411 0.600 -21.843 -26.800 1.00 35.22 O HETATM 2735 O HOH 412 6.478 -12.168 -33.502 1.00 36.20 O HETATM 2736 O HOH 413 5.054 -16.837 -33.431 1.00 46.81 O HETATM 2737 O HOH 414 7.002 -18.143 -37.177 1.00 56.61 O HETATM 2738 O HOH 415 3.102 -22.400 -9.153 1.00 64.83 O HETATM 2739 O HOH 416 7.673 -8.415 -31.905 1.00 39.94 O HETATM 2740 O HOH 417 11.852 -19.745 -8.500 1.00 35.28 O HETATM 2741 O HOH 418 3.723 -8.995 -12.415 1.00 35.68 O HETATM 2742 O HOH 419 16.663 -9.043 -15.167 1.00 43.28 O HETATM 2743 O HOH 420 8.740 -21.797 -31.965 1.00 14.29 O HETATM 2744 O HOH 421 4.735 -29.851 -35.023 1.00 29.93 O HETATM 2745 O HOH 422 8.485 -7.697 -17.928 1.00 24.37 O HETATM 2746 O HOH 423 24.543 -19.899 -20.703 1.00 33.87 O HETATM 2747 O HOH 424 12.229 -11.673 -15.653 1.00 32.81 O HETATM 2748 P AMP A 425 17.879 -5.344 -0.565 1.00 0.20 P HETATM 2749 O1P AMP A 425 18.558 -5.348 -1.913 1.00 -0.55 O HETATM 2750 O2P AMP A 425 17.102 -6.616 -0.250 1.00 -0.55 O HETATM 2751 O3P AMP A 425 17.062 -4.123 -0.349 1.00 -0.55 O HETATM 2752 O5' AMP A 425 19.026 -5.105 0.526 1.00 -0.27 O HETATM 2753 C5' AMP A 425 19.819 -6.178 0.995 1.00 0.11 C HETATM 2754 C4' AMP A 425 21.070 -5.699 1.693 1.00 0.12 C HETATM 2755 O4' AMP A 425 21.929 -5.039 0.729 1.00 -0.34 O HETATM 2756 C1' AMP A 425 22.432 -3.847 1.285 1.00 0.20 C HETATM 2757 C2' AMP A 425 21.394 -3.394 2.294 1.00 0.14 C HETATM 2758 C3' AMP A 425 20.884 -4.719 2.853 1.00 0.11 C HETATM 2759 O3' AMP A 425 21.735 -5.117 3.934 1.00 -0.39 O HETATM 2760 H5 AMP A 425 21.626 -4.514 4.660 1.00 0.21 H HETATM 2761 H4 AMP A 425 19.835 -4.656 3.177 1.00 0.06 H HETATM 2762 O2' AMP A 425 21.977 -2.560 3.270 1.00 -0.38 O HETATM 2763 H7 AMP A 425 22.716 -3.006 3.666 1.00 0.21 H HETATM 2764 H6 AMP A 425 20.578 -2.846 1.801 1.00 0.07 H HETATM 2765 N9 AMP A 425 22.718 -2.926 0.178 1.00 -0.19 N HETATM 2766 C8 AMP A 425 21.981 -2.743 -0.930 1.00 0.11 C HETATM 2767 N7 AMP A 425 22.603 -1.876 -1.748 1.00 -0.30 N HETATM 2768 C5 AMP A 425 23.762 -1.518 -1.155 1.00 0.10 C HETATM 2769 C6 AMP A 425 24.811 -0.657 -1.514 1.00 0.13 C HETATM 2770 N6 AMP A 425 24.759 0.052 -2.761 1.00 -0.32 N HETATM 2771 H10 AMP A 425 25.528 0.684 -3.026 1.00 0.18 H HETATM 2772 H11 AMP A 425 23.953 -0.071 -3.390 1.00 0.18 H HETATM 2773 N1 AMP A 425 25.856 -0.508 -0.677 1.00 -0.27 N HETATM 2774 C2 AMP A 425 25.881 -1.161 0.488 1.00 0.05 C HETATM 2775 N3 AMP A 425 24.906 -2.003 0.859 1.00 -0.27 N HETATM 2776 C4 AMP A 425 23.844 -2.190 0.058 1.00 0.16 C HETATM 2777 H12 AMP A 425 26.719 -1.005 1.157 1.00 0.10 H HETATM 2778 H9 AMP A 425 21.025 -3.224 -1.135 1.00 0.13 H HETATM 2779 H8 AMP A 425 23.374 -4.043 1.818 1.00 0.10 H HETATM 2780 H3 AMP A 425 21.583 -6.589 2.087 1.00 0.07 H HETATM 2781 H1 AMP A 425 20.109 -6.805 0.139 1.00 0.06 H HETATM 2782 H2 AMP A 425 19.225 -6.775 1.702 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 238 237 782 CONECT 374 373 885 CONECT 536 535 1027 CONECT 601 600 669 CONECT 669 601 668 CONECT 782 238 781 CONECT 885 374 884 CONECT 1027 536 1026 CONECT 1155 1156 1163 1164 1165 CONECT 1163 1155 CONECT 1164 1155 CONECT 1165 1155 CONECT 1408 1407 1951 CONECT 1542 1541 2060 CONECT 1704 1703 2196 CONECT 1769 1768 1837 CONECT 1837 1769 1836 CONECT 1951 1408 1950 CONECT 2060 1542 2059 CONECT 2196 1704 2195 CONECT 2748 2749 2750 2751 2752 CONECT 2749 2748 CONECT 2750 2748 CONECT 2751 2748 CONECT 2752 2748 2753 CONECT 2753 2752 2754 2781 2782 CONECT 2754 2753 2755 2758 2780 CONECT 2755 2754 2756 CONECT 2756 2755 2757 2765 2779 CONECT 2757 2756 2758 2762 2764 CONECT 2758 2754 2757 2759 2761 CONECT 2759 2758 2760 CONECT 2760 2759 CONECT 2761 2758 CONECT 2762 2757 2763 CONECT 2763 2762 CONECT 2764 2757 CONECT 2765 2756 2766 2776 CONECT 2766 2765 2767 2778 CONECT 2767 2766 2768 CONECT 2768 2767 2769 2776 CONECT 2769 2768 2770 2773 CONECT 2770 2769 2771 2772 CONECT 2771 2770 CONECT 2772 2770 CONECT 2773 2769 2774 CONECT 2774 2773 2775 2777 CONECT 2775 2774 2776 CONECT 2776 2765 2768 2775 CONECT 2777 2774 CONECT 2778 2766 CONECT 2779 2756 CONECT 2780 2754 CONECT 2781 2753 CONECT 2782 2753 MASTER 0 0 0 0 0 0 0 0 2780 2 59 20 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fpi
RCSB PDB
PDBbind
AMP
1fta
RCSB PDB
PDBbind
AMP
1pyg
RCSB PDB
PDBbind
AMP
1ua4
RCSB PDB
PDBbind
AMP
1z6s
RCSB PDB
PDBbind
AMP
2gmk
RCSB PDB
PDBbind
AMP
2gsu
RCSB PDB
PDBbind
AMP
2q8m
RCSB PDB
PDBbind
AMP
2qrk
RCSB PDB
PDBbind
AMP
2vfk
RCSB PDB
PDBbind
AMP
3tdh
RCSB PDB
PDBbind
AMP
4cs9
RCSB PDB
PDBbind
AMP
4g0y
RCSB PDB
PDBbind
AMP
4lqy
RCSB PDB
PDBbind
AMP
4ozl
RCSB PDB
PDBbind
AMP
4qfg
RCSB PDB
PDBbind
AMP
4zmf
RCSB PDB
PDBbind
AMP
5f74
RCSB PDB
PDBbind
AMP
5klz
RCSB PDB
PDBbind
AMP
5o3r
RCSB PDB
PDBbind
AMP
5ofu
RCSB PDB
PDBbind
AMP
5yz2
RCSB PDB
PDBbind
AMP
6fcl
RCSB PDB
PDBbind
AMP
7gpb
RCSB PDB
PDBbind
AMP
8gpb
RCSB PDB
PDBbind
AMP
6mmo
RCSB PDB
PDBbind
AMP
6k4r
RCSB PDB
PDBbind
AMP
5nx9
RCSB PDB
PDBbind
AMP
6sy7
RCSB PDB
PDBbind
AMP
Entry Information
PDB ID
4wyp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ribonuclease pancreatic mutant A109G
Ligand Name
AMP
EC.Number
E.C.3.1.27.5
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=440uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Structure Vol. 23: pp. 2256-2266
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
7
P
Molecular Weight
348.229
Exact Mass
348.071
No. of atoms
38
No. of bonds
40
Polar Surface Area
202.82
LOGP Value
-3.71 (
Computed with XLOGP3
)
-1.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(O)(O)O
InChI String
InChI=1S/C10H16N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-20,23H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
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