Browse entries in the PDBbind-CN Database
HEADER 6EHH_COMPLEX COMPND 6EHH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 SER THR SER ARG LEU TYR THR LEU VAL LEU VAL LEU GLN SEQRES 2 A 154 PRO GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE SEQRES 3 A 154 GLY ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL GLN SEQRES 4 A 154 GLU GLY GLU THR ILE GLU ASP GLY ALA LYS ARG GLU LEU SEQRES 5 A 154 LEU GLU GLU SER GLY LEU SER VAL ASP THR LEU HIS LYS SEQRES 6 A 154 VAL GLY HIS ILE SER PHE GLU PHE VAL GLY SER PRO GLU SEQRES 7 A 154 LEU MET ASP VAL HIS ILE PHE SER ALA ASP HIS VAL HIS SEQRES 8 A 154 GLY THR PRO THR GLU SER GLU GLU MET ARG PRO GLN TRP SEQRES 9 A 154 PHE GLN LEU ASP GLN ILE PRO PHE ALA ASP MET TRP PRO SEQRES 10 A 154 ASP ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS LYS SEQRES 11 A 154 LYS PHE CYS GLY HIS PHE LYS PHE GLN ASP GLN ASP THR SEQRES 12 A 154 ILE LEU SER TYR SER LEU ARG GLU VAL ASP SER HET UNN A 219 31 ATOM 1 N SER A 2 15.284 -11.812 30.020 1.00 58.67 N ATOM 2 CA SER A 2 15.770 -11.711 28.604 1.00 58.75 C ATOM 3 C SER A 2 15.524 -10.317 28.014 1.00 58.41 C ATOM 4 O SER A 2 14.388 -9.968 27.681 1.00 59.44 O ATOM 5 CB SER A 2 15.104 -12.775 27.726 1.00 58.94 C ATOM 6 OG SER A 2 15.448 -14.078 28.162 1.00 59.24 O ATOM 7 HG SER A 2 15.007 -14.747 27.580 1.00 0.00 H ATOM 8 HN3 SER A 2 14.262 -11.621 30.049 1.00 0.00 H ATOM 9 HN2 SER A 2 15.785 -11.116 30.608 1.00 0.00 H ATOM 10 HN1 SER A 2 15.469 -12.769 30.381 1.00 0.00 H ATOM 11 N THR A 3 16.599 -9.538 27.884 1.00 57.10 N ATOM 12 CA THR A 3 16.521 -8.142 27.425 1.00 55.34 C ATOM 13 C THR A 3 16.278 -8.008 25.911 1.00 52.99 C ATOM 14 O THR A 3 16.173 -9.007 25.191 1.00 53.25 O ATOM 15 CB THR A 3 17.791 -7.345 27.839 1.00 55.95 C ATOM 16 OG1 THR A 3 17.541 -5.939 27.714 1.00 55.78 O ATOM 17 CG2 THR A 3 19.017 -7.725 26.989 1.00 55.91 C ATOM 18 HG1 THR A 3 18.352 -5.436 27.978 1.00 0.00 H ATOM 19 H THR A 3 17.532 -9.934 28.117 1.00 0.00 H ATOM 20 N SER A 4 16.183 -6.758 25.454 1.00 49.75 N ATOM 21 CA SER A 4 15.973 -6.419 24.045 1.00 47.12 C ATOM 22 C SER A 4 17.260 -5.935 23.380 1.00 45.22 C ATOM 23 O SER A 4 18.260 -5.682 24.056 1.00 45.73 O ATOM 24 CB SER A 4 14.926 -5.311 23.943 1.00 47.02 C ATOM 25 OG SER A 4 15.432 -4.068 24.401 1.00 46.88 O ATOM 26 HG SER A 4 14.728 -3.377 24.320 1.00 0.00 H ATOM 27 H SER A 4 16.263 -5.979 26.138 1.00 0.00 H ATOM 28 N ARG A 5 17.217 -5.804 22.053 1.00 42.61 N ATOM 29 CA ARG A 5 18.304 -5.193 21.283 1.00 40.81 C ATOM 30 C ARG A 5 17.771 -3.972 20.529 1.00 37.87 C ATOM 31 O ARG A 5 16.613 -3.955 20.098 1.00 37.20 O ATOM 32 CB ARG A 5 18.929 -6.202 20.309 1.00 41.67 C ATOM 33 CG ARG A 5 20.419 -5.973 20.071 1.00 43.02 C ATOM 34 CD ARG A 5 20.877 -6.448 18.702 1.00 44.07 C ATOM 35 NE ARG A 5 22.298 -6.156 18.453 1.00 45.23 N ATOM 36 CZ ARG A 5 23.322 -7.013 18.581 1.00 45.80 C ATOM 37 NH1 ARG A 5 24.558 -6.590 18.311 1.00 45.63 N ATOM 38 NH2 ARG A 5 23.147 -8.281 18.966 1.00 45.27 N ATOM 39 HE ARG A 5 22.531 -5.190 18.148 1.00 0.00 H ATOM 40 HH12 ARG A 5 25.363 -7.242 18.405 1.00 0.00 H ATOM 41 HH11 ARG A 5 24.717 -5.608 18.006 1.00 0.00 H ATOM 42 HH22 ARG A 5 23.966 -8.916 19.054 1.00 0.00 H ATOM 43 HH21 ARG A 5 22.192 -8.633 19.178 1.00 0.00 H ATOM 44 H ARG A 5 16.378 -6.149 21.544 1.00 0.00 H ATOM 45 N LEU A 6 18.621 -2.958 20.378 1.00 34.78 N ATOM 46 CA LEU A 6 18.238 -1.700 19.731 1.00 32.90 C ATOM 47 C LEU A 6 18.328 -1.787 18.209 1.00 30.89 C ATOM 48 O LEU A 6 19.354 -2.203 17.670 1.00 30.29 O ATOM 49 CB LEU A 6 19.120 -0.543 20.221 1.00 32.80 C ATOM 50 CG LEU A 6 18.860 -0.056 21.648 1.00 32.99 C ATOM 51 CD1 LEU A 6 20.009 0.820 22.124 1.00 33.00 C ATOM 52 CD2 LEU A 6 17.534 0.692 21.745 1.00 32.97 C ATOM 53 H LEU A 6 19.593 -3.063 20.733 1.00 0.00 H ATOM 54 N TYR A 7 17.244 -1.386 17.538 1.00 29.31 N ATOM 55 CA TYR A 7 17.201 -1.217 16.082 1.00 28.04 C ATOM 56 C TYR A 7 16.834 0.226 15.734 1.00 26.81 C ATOM 57 O TYR A 7 16.260 0.939 16.558 1.00 26.96 O ATOM 58 CB TYR A 7 16.170 -2.161 15.461 1.00 27.80 C ATOM 59 CG TYR A 7 16.521 -3.621 15.578 1.00 27.89 C ATOM 60 CD1 TYR A 7 16.281 -4.322 16.760 1.00 28.23 C ATOM 61 CD2 TYR A 7 17.087 -4.312 14.508 1.00 28.20 C ATOM 62 CE1 TYR A 7 16.602 -5.667 16.877 1.00 28.35 C ATOM 63 CE2 TYR A 7 17.412 -5.658 14.613 1.00 28.54 C ATOM 64 CZ TYR A 7 17.168 -6.332 15.798 1.00 28.68 C ATOM 65 OH TYR A 7 17.485 -7.668 15.897 1.00 28.77 O ATOM 66 HH TYR A 7 17.250 -7.996 16.801 1.00 0.00 H ATOM 67 H TYR A 7 16.380 -1.182 18.080 1.00 0.00 H ATOM 68 N THR A 8 17.183 0.646 14.519 1.00 25.46 N ATOM 69 CA THR A 8 16.732 1.923 13.950 1.00 24.39 C ATOM 70 C THR A 8 15.992 1.673 12.649 1.00 23.54 C ATOM 71 O THR A 8 16.242 0.684 11.968 1.00 22.96 O ATOM 72 CB THR A 8 17.898 2.886 13.629 1.00 24.37 C ATOM 73 OG1 THR A 8 18.827 2.261 12.725 1.00 23.82 O ATOM 74 CG2 THR A 8 18.607 3.320 14.896 1.00 24.39 C ATOM 75 HG1 THR A 8 19.190 1.440 13.142 1.00 0.00 H ATOM 76 H THR A 8 17.805 0.041 13.946 1.00 0.00 H ATOM 77 N LEU A 9 15.090 2.587 12.310 1.00 23.04 N ATOM 78 CA LEU A 9 14.380 2.549 11.036 1.00 22.54 C ATOM 79 C LEU A 9 14.199 3.979 10.536 1.00 21.93 C ATOM 80 O LEU A 9 13.608 4.812 11.220 1.00 21.40 O ATOM 81 CB LEU A 9 13.034 1.837 11.197 1.00 22.43 C ATOM 82 CG LEU A 9 12.208 1.600 9.930 1.00 22.51 C ATOM 83 CD1 LEU A 9 12.983 0.773 8.913 1.00 22.63 C ATOM 84 CD2 LEU A 9 10.885 0.934 10.286 1.00 22.42 C ATOM 85 H LEU A 9 14.882 3.358 12.977 1.00 0.00 H ATOM 86 N VAL A 10 14.732 4.250 9.349 1.00 21.95 N ATOM 87 CA VAL A 10 14.774 5.594 8.786 1.00 22.10 C ATOM 88 C VAL A 10 13.890 5.640 7.550 1.00 22.62 C ATOM 89 O VAL A 10 14.089 4.872 6.601 1.00 21.97 O ATOM 90 CB VAL A 10 16.201 6.009 8.385 1.00 21.85 C ATOM 91 CG1 VAL A 10 16.229 7.486 7.997 1.00 22.00 C ATOM 92 CG2 VAL A 10 17.178 5.719 9.515 1.00 21.67 C ATOM 93 H VAL A 10 15.138 3.468 8.797 1.00 0.00 H ATOM 94 N LEU A 11 12.931 6.560 7.568 1.00 23.16 N ATOM 95 CA LEU A 11 11.984 6.716 6.481 1.00 23.64 C ATOM 96 C LEU A 11 12.305 7.997 5.744 1.00 23.88 C ATOM 97 O LEU A 11 12.215 9.086 6.309 1.00 23.56 O ATOM 98 CB LEU A 11 10.565 6.712 7.033 1.00 23.84 C ATOM 99 CG LEU A 11 10.248 5.324 7.626 1.00 23.74 C ATOM 100 CD1 LEU A 11 9.721 5.409 9.046 1.00 23.95 C ATOM 101 CD2 LEU A 11 9.291 4.562 6.733 1.00 23.68 C ATOM 102 H LEU A 11 12.857 7.191 8.391 1.00 0.00 H ATOM 103 N VAL A 12 12.714 7.847 4.486 1.00 24.63 N ATOM 104 CA VAL A 12 13.103 8.974 3.645 1.00 25.21 C ATOM 105 C VAL A 12 11.835 9.601 3.072 1.00 25.91 C ATOM 106 O VAL A 12 11.278 9.089 2.101 1.00 26.11 O ATOM 107 CB VAL A 12 14.052 8.522 2.509 1.00 24.81 C ATOM 108 CG1 VAL A 12 14.381 9.684 1.574 1.00 24.56 C ATOM 109 CG2 VAL A 12 15.323 7.906 3.087 1.00 24.66 C ATOM 110 H VAL A 12 12.758 6.888 4.087 1.00 0.00 H ATOM 111 N LEU A 13 11.382 10.697 3.679 1.00 26.80 N ATOM 112 CA LEU A 13 10.153 11.372 3.247 1.00 28.58 C ATOM 113 C LEU A 13 10.424 12.661 2.472 1.00 29.98 C ATOM 114 O LEU A 13 11.474 13.288 2.611 1.00 30.75 O ATOM 115 CB LEU A 13 9.225 11.656 4.438 1.00 29.03 C ATOM 116 CG LEU A 13 8.059 10.674 4.616 1.00 29.35 C ATOM 117 CD1 LEU A 13 8.543 9.305 5.074 1.00 29.48 C ATOM 118 CD2 LEU A 13 7.041 11.234 5.598 1.00 29.56 C ATOM 119 H LEU A 13 11.915 11.086 4.483 1.00 0.00 H ATOM 120 N GLN A 14 9.451 13.021 1.644 1.00 31.34 N ATOM 121 CA GLN A 14 9.453 14.252 0.858 1.00 31.88 C ATOM 122 C GLN A 14 7.990 14.684 0.731 1.00 32.27 C ATOM 123 O GLN A 14 7.104 13.940 1.169 1.00 31.71 O ATOM 124 CB GLN A 14 10.106 13.995 -0.501 1.00 32.11 C ATOM 125 CG GLN A 14 11.617 13.848 -0.414 1.00 32.58 C ATOM 126 CD GLN A 14 12.339 14.260 -1.678 1.00 32.67 C ATOM 127 OE1 GLN A 14 11.884 13.989 -2.792 1.00 32.66 O ATOM 128 NE2 GLN A 14 13.480 14.921 -1.509 1.00 32.54 N ATOM 129 HE22 GLN A 14 13.824 15.127 -0.550 1.00 0.00 H ATOM 130 HE21 GLN A 14 14.028 15.232 -2.336 1.00 0.00 H ATOM 131 H GLN A 14 8.634 12.385 1.549 1.00 0.00 H ATOM 132 N PRO A 15 7.722 15.884 0.167 1.00 33.04 N ATOM 133 CA PRO A 15 6.334 16.376 0.150 1.00 33.32 C ATOM 134 C PRO A 15 5.298 15.390 -0.406 1.00 32.98 C ATOM 135 O PRO A 15 4.283 15.143 0.253 1.00 33.37 O ATOM 136 CB PRO A 15 6.424 17.631 -0.722 1.00 33.58 C ATOM 137 CG PRO A 15 7.802 18.137 -0.478 1.00 33.24 C ATOM 138 CD PRO A 15 8.662 16.916 -0.318 1.00 33.16 C ATOM 139 N GLN A 16 5.578 14.820 -1.577 1.00 32.40 N ATOM 140 CA GLN A 16 4.643 13.919 -2.262 1.00 32.27 C ATOM 141 C GLN A 16 5.070 12.441 -2.299 1.00 31.15 C ATOM 142 O GLN A 16 4.255 11.599 -2.656 1.00 30.56 O ATOM 143 CB GLN A 16 4.402 14.404 -3.700 1.00 33.27 C ATOM 144 CG GLN A 16 3.849 15.823 -3.831 1.00 34.35 C ATOM 145 CD GLN A 16 2.349 15.912 -3.586 1.00 35.35 C ATOM 146 OE1 GLN A 16 1.852 15.507 -2.533 1.00 36.07 O ATOM 147 NE2 GLN A 16 1.621 16.454 -4.560 1.00 35.30 N ATOM 148 HE22 GLN A 16 2.082 16.783 -5.432 1.00 0.00 H ATOM 149 HE21 GLN A 16 0.591 16.549 -4.448 1.00 0.00 H ATOM 150 H GLN A 16 6.495 15.021 -2.024 1.00 0.00 H ATOM 151 N ARG A 17 6.311 12.112 -1.926 1.00 29.98 N ATOM 152 CA ARG A 17 6.820 10.734 -2.075 1.00 28.96 C ATOM 153 C ARG A 17 7.659 10.220 -0.896 1.00 27.72 C ATOM 154 O ARG A 17 8.072 10.985 -0.020 1.00 27.09 O ATOM 155 CB ARG A 17 7.619 10.612 -3.380 1.00 29.17 C ATOM 156 CG ARG A 17 8.745 11.623 -3.518 1.00 29.41 C ATOM 157 CD ARG A 17 9.496 11.454 -4.825 1.00 29.35 C ATOM 158 NE ARG A 17 10.684 12.307 -4.855 1.00 29.71 N ATOM 159 CZ ARG A 17 11.685 12.217 -5.732 1.00 29.79 C ATOM 160 NH1 ARG A 17 11.687 11.295 -6.696 1.00 30.06 N ATOM 161 NH2 ARG A 17 12.708 13.065 -5.642 1.00 29.89 N ATOM 162 HE ARG A 17 10.754 13.048 -4.129 1.00 0.00 H ATOM 163 HH12 ARG A 17 12.480 11.246 -7.367 1.00 0.00 H ATOM 164 HH11 ARG A 17 10.896 10.625 -6.776 1.00 0.00 H ATOM 165 HH22 ARG A 17 13.494 13.005 -6.320 1.00 0.00 H ATOM 166 HH21 ARG A 17 12.720 13.787 -4.894 1.00 0.00 H ATOM 167 H ARG A 17 6.931 12.843 -1.522 1.00 0.00 H ATOM 168 N VAL A 18 7.884 8.903 -0.900 1.00 26.49 N ATOM 169 CA VAL A 18 8.697 8.207 0.104 1.00 25.34 C ATOM 170 C VAL A 18 9.619 7.196 -0.592 1.00 24.65 C ATOM 171 O VAL A 18 9.168 6.436 -1.455 1.00 24.22 O ATOM 172 CB VAL A 18 7.817 7.518 1.183 1.00 25.31 C ATOM 173 CG1 VAL A 18 6.947 6.407 0.603 1.00 25.27 C ATOM 174 CG2 VAL A 18 8.669 6.977 2.323 1.00 25.48 C ATOM 175 H VAL A 18 7.457 8.337 -1.661 1.00 0.00 H ATOM 176 N LEU A 19 10.904 7.210 -0.227 1.00 23.91 N ATOM 177 CA LEU A 19 11.894 6.278 -0.777 1.00 23.40 C ATOM 178 C LEU A 19 12.020 5.064 0.133 1.00 23.13 C ATOM 179 O LEU A 19 12.743 5.105 1.123 1.00 23.63 O ATOM 180 CB LEU A 19 13.266 6.953 -0.927 1.00 23.27 C ATOM 181 CG LEU A 19 14.424 6.098 -1.471 1.00 23.04 C ATOM 182 CD1 LEU A 19 14.357 6.009 -2.988 1.00 22.92 C ATOM 183 CD2 LEU A 19 15.764 6.665 -1.032 1.00 23.12 C ATOM 184 H LEU A 19 11.215 7.910 0.476 1.00 0.00 H ATOM 185 N LEU A 20 11.322 3.986 -0.210 1.00 22.67 N ATOM 186 CA LEU A 20 11.468 2.712 0.494 1.00 22.33 C ATOM 187 C LEU A 20 12.635 1.934 -0.088 1.00 22.28 C ATOM 188 O LEU A 20 13.229 2.351 -1.082 1.00 22.14 O ATOM 189 CB LEU A 20 10.183 1.891 0.390 1.00 22.06 C ATOM 190 CG LEU A 20 8.927 2.566 0.946 1.00 22.02 C ATOM 191 CD1 LEU A 20 7.728 1.644 0.782 1.00 21.91 C ATOM 192 CD2 LEU A 20 9.109 2.962 2.408 1.00 22.05 C ATOM 193 H LEU A 20 10.652 4.050 -1.003 1.00 0.00 H ATOM 194 N GLY A 21 12.960 0.812 0.552 1.00 22.44 N ATOM 195 CA GLY A 21 14.005 -0.102 0.089 1.00 22.78 C ATOM 196 C GLY A 21 13.519 -1.541 0.074 1.00 23.04 C ATOM 197 O GLY A 21 12.935 -2.011 1.051 1.00 22.81 O ATOM 198 H GLY A 21 12.446 0.574 1.424 1.00 0.00 H ATOM 199 N MET A 22 13.758 -2.229 -1.041 1.00 23.80 N ATOM 200 CA MET A 22 13.455 -3.656 -1.184 1.00 24.98 C ATOM 201 C MET A 22 14.597 -4.472 -0.578 1.00 25.81 C ATOM 202 O MET A 22 15.727 -4.427 -1.070 1.00 25.80 O ATOM 203 CB MET A 22 13.262 -4.012 -2.668 1.00 25.45 C ATOM 204 CG MET A 22 13.156 -5.493 -3.010 1.00 25.68 C ATOM 205 SD MET A 22 11.967 -6.426 -2.035 1.00 26.29 S ATOM 206 CE MET A 22 10.440 -5.570 -2.395 1.00 26.18 C ATOM 207 H MET A 22 14.180 -1.729 -1.850 1.00 0.00 H ATOM 208 N LYS A 23 14.294 -5.214 0.486 1.00 26.61 N ATOM 209 CA LYS A 23 15.288 -6.034 1.176 1.00 27.10 C ATOM 210 C LYS A 23 15.635 -7.255 0.326 1.00 27.49 C ATOM 211 O LYS A 23 14.760 -8.054 -0.021 1.00 27.44 O ATOM 212 CB LYS A 23 14.755 -6.478 2.533 1.00 27.38 C ATOM 213 CG LYS A 23 15.787 -7.110 3.455 1.00 27.70 C ATOM 214 CD LYS A 23 16.159 -6.202 4.617 1.00 28.07 C ATOM 215 CE LYS A 23 17.145 -6.888 5.552 1.00 28.42 C ATOM 216 NZ LYS A 23 17.114 -6.309 6.921 1.00 28.59 N ATOM 217 HZ1 LYS A 23 17.360 -5.299 6.875 1.00 0.00 H ATOM 218 HZ2 LYS A 23 16.160 -6.417 7.320 1.00 0.00 H ATOM 219 HZ3 LYS A 23 17.801 -6.807 7.522 1.00 0.00 H ATOM 220 H LYS A 23 13.315 -5.210 0.838 1.00 0.00 H ATOM 221 N LYS A 24 16.916 -7.382 -0.003 1.00 27.82 N ATOM 222 CA LYS A 24 17.398 -8.408 -0.924 1.00 28.21 C ATOM 223 C LYS A 24 17.835 -9.690 -0.210 1.00 28.78 C ATOM 224 O LYS A 24 17.889 -10.749 -0.833 1.00 28.99 O ATOM 225 CB LYS A 24 18.554 -7.847 -1.762 1.00 28.17 C ATOM 226 CG LYS A 24 18.156 -6.671 -2.648 1.00 28.05 C ATOM 227 CD LYS A 24 19.338 -5.786 -3.022 1.00 28.05 C ATOM 228 CE LYS A 24 20.283 -6.471 -3.997 1.00 28.01 C ATOM 229 NZ LYS A 24 21.262 -5.511 -4.582 1.00 27.83 N ATOM 230 HZ1 LYS A 24 20.750 -4.763 -5.092 1.00 0.00 H ATOM 231 HZ2 LYS A 24 21.828 -5.087 -3.819 1.00 0.00 H ATOM 232 HZ3 LYS A 24 21.889 -6.015 -5.241 1.00 0.00 H ATOM 233 H LYS A 24 17.605 -6.723 0.413 1.00 0.00 H ATOM 234 N ARG A 25 18.142 -9.596 1.083 1.00 29.50 N ATOM 235 CA ARG A 25 18.636 -10.739 1.855 1.00 30.33 C ATOM 236 C ARG A 25 18.431 -10.541 3.356 1.00 29.80 C ATOM 237 O ARG A 25 18.369 -9.405 3.840 1.00 29.80 O ATOM 238 CB ARG A 25 20.125 -10.978 1.557 1.00 31.39 C ATOM 239 CG ARG A 25 21.027 -9.773 1.825 1.00 32.27 C ATOM 240 CD ARG A 25 22.373 -9.877 1.116 1.00 33.07 C ATOM 241 NE ARG A 25 23.383 -10.587 1.906 1.00 33.92 N ATOM 242 CZ ARG A 25 24.649 -10.783 1.528 1.00 33.82 C ATOM 243 NH1 ARG A 25 25.482 -11.435 2.333 1.00 33.81 N ATOM 244 NH2 ARG A 25 25.092 -10.338 0.353 1.00 34.24 N ATOM 245 HE ARG A 25 23.092 -10.966 2.830 1.00 0.00 H ATOM 246 HH12 ARG A 25 26.469 -11.591 2.044 1.00 0.00 H ATOM 247 HH11 ARG A 25 25.147 -11.789 3.252 1.00 0.00 H ATOM 248 HH22 ARG A 25 26.081 -10.500 0.075 1.00 0.00 H ATOM 249 HH21 ARG A 25 24.449 -9.829 -0.286 1.00 0.00 H ATOM 250 H ARG A 25 18.027 -8.679 1.561 1.00 0.00 H ATOM 251 N GLY A 26 18.326 -11.657 4.075 1.00 29.19 N ATOM 252 CA GLY A 26 18.174 -11.648 5.527 1.00 29.03 C ATOM 253 C GLY A 26 16.736 -11.498 5.989 1.00 29.09 C ATOM 254 O GLY A 26 15.793 -11.826 5.256 1.00 28.56 O ATOM 255 H GLY A 26 18.353 -12.572 3.582 1.00 0.00 H ATOM 256 N PHE A 27 16.577 -11.000 7.214 1.00 29.21 N ATOM 257 CA PHE A 27 15.268 -10.896 7.859 1.00 29.34 C ATOM 258 C PHE A 27 14.457 -9.792 7.190 1.00 29.18 C ATOM 259 O PHE A 27 14.870 -8.631 7.185 1.00 29.01 O ATOM 260 CB PHE A 27 15.430 -10.622 9.359 1.00 29.60 C ATOM 261 CG PHE A 27 14.156 -10.749 10.150 1.00 29.70 C ATOM 262 CD1 PHE A 27 13.500 -11.973 10.248 1.00 29.91 C ATOM 263 CD2 PHE A 27 13.621 -9.651 10.820 1.00 29.88 C ATOM 264 CE1 PHE A 27 12.329 -12.098 10.984 1.00 29.98 C ATOM 265 CE2 PHE A 27 12.452 -9.769 11.561 1.00 29.97 C ATOM 266 CZ PHE A 27 11.804 -10.993 11.644 1.00 30.05 C ATOM 267 H PHE A 27 17.417 -10.672 7.733 1.00 0.00 H ATOM 268 N GLY A 28 13.316 -10.177 6.616 1.00 28.87 N ATOM 269 CA GLY A 28 12.461 -9.273 5.845 1.00 28.74 C ATOM 270 C GLY A 28 12.760 -9.248 4.352 1.00 28.26 C ATOM 271 O GLY A 28 12.365 -8.307 3.669 1.00 26.94 O ATOM 272 H GLY A 28 13.019 -11.168 6.721 1.00 0.00 H ATOM 273 N ALA A 29 13.432 -10.287 3.845 1.00 28.30 N ATOM 274 CA ALA A 29 13.813 -10.369 2.426 1.00 27.77 C ATOM 275 C ALA A 29 12.588 -10.504 1.531 1.00 27.36 C ATOM 276 O ALA A 29 11.706 -11.316 1.805 1.00 27.84 O ATOM 277 CB ALA A 29 14.752 -11.542 2.188 1.00 27.81 C ATOM 278 H ALA A 29 13.696 -11.068 4.479 1.00 0.00 H ATOM 279 N GLY A 30 12.551 -9.712 0.462 1.00 26.49 N ATOM 280 CA GLY A 30 11.397 -9.647 -0.430 1.00 25.81 C ATOM 281 C GLY A 30 10.304 -8.691 0.023 1.00 25.20 C ATOM 282 O GLY A 30 9.192 -8.748 -0.500 1.00 25.11 O ATOM 283 H GLY A 30 13.377 -9.116 0.254 1.00 0.00 H ATOM 284 N ARG A 31 10.615 -7.808 0.977 1.00 24.74 N ATOM 285 CA ARG A 31 9.666 -6.798 1.468 1.00 24.36 C ATOM 286 C ARG A 31 10.225 -5.382 1.347 1.00 23.36 C ATOM 287 O ARG A 31 11.434 -5.167 1.460 1.00 23.20 O ATOM 288 CB ARG A 31 9.274 -7.083 2.921 1.00 24.94 C ATOM 289 CG ARG A 31 8.071 -7.995 3.056 1.00 25.63 C ATOM 290 CD ARG A 31 8.016 -8.698 4.403 1.00 26.10 C ATOM 291 NE ARG A 31 6.634 -9.013 4.779 1.00 27.00 N ATOM 292 CZ ARG A 31 6.252 -9.981 5.616 1.00 27.66 C ATOM 293 NH1 ARG A 31 7.136 -10.787 6.207 1.00 28.26 N ATOM 294 NH2 ARG A 31 4.954 -10.151 5.864 1.00 27.94 N ATOM 295 HE ARG A 31 5.884 -8.430 4.356 1.00 0.00 H ATOM 296 HH12 ARG A 31 6.809 -11.532 6.854 1.00 0.00 H ATOM 297 HH11 ARG A 31 8.152 -10.670 6.020 1.00 0.00 H ATOM 298 HH22 ARG A 31 4.643 -10.901 6.514 1.00 0.00 H ATOM 299 HH21 ARG A 31 4.252 -9.534 5.408 1.00 0.00 H ATOM 300 H ARG A 31 11.569 -7.837 1.390 1.00 0.00 H ATOM 301 N TRP A 32 9.330 -4.427 1.105 1.00 22.42 N ATOM 302 CA TRP A 32 9.683 -3.007 1.129 1.00 21.77 C ATOM 303 C TRP A 32 9.734 -2.533 2.581 1.00 21.33 C ATOM 304 O TRP A 32 8.917 -2.945 3.408 1.00 21.02 O ATOM 305 CB TRP A 32 8.682 -2.172 0.322 1.00 21.46 C ATOM 306 CG TRP A 32 8.680 -2.508 -1.136 1.00 21.16 C ATOM 307 CD1 TRP A 32 7.795 -3.312 -1.790 1.00 20.94 C ATOM 308 CD2 TRP A 32 9.621 -2.063 -2.118 1.00 20.87 C ATOM 309 NE1 TRP A 32 8.123 -3.394 -3.120 1.00 20.95 N ATOM 310 CE2 TRP A 32 9.239 -2.634 -3.350 1.00 20.83 C ATOM 311 CE3 TRP A 32 10.750 -1.233 -2.076 1.00 20.66 C ATOM 312 CZ2 TRP A 32 9.947 -2.407 -4.534 1.00 20.63 C ATOM 313 CZ3 TRP A 32 11.451 -1.000 -3.253 1.00 20.63 C ATOM 314 CH2 TRP A 32 11.047 -1.590 -4.467 1.00 20.57 C ATOM 315 HE1 TRP A 32 7.608 -3.944 -3.837 1.00 0.00 H ATOM 316 H TRP A 32 8.349 -4.699 0.892 1.00 0.00 H ATOM 317 N ASN A 33 10.714 -1.695 2.892 1.00 20.89 N ATOM 318 CA ASN A 33 10.867 -1.156 4.240 1.00 20.78 C ATOM 319 C ASN A 33 11.735 0.088 4.189 1.00 20.87 C ATOM 320 O ASN A 33 12.413 0.336 3.188 1.00 21.63 O ATOM 321 CB ASN A 33 11.506 -2.208 5.165 1.00 20.73 C ATOM 322 CG ASN A 33 11.240 -1.953 6.649 1.00 20.72 C ATOM 323 OD1 ASN A 33 10.550 -1.001 7.031 1.00 20.56 O ATOM 324 ND2 ASN A 33 11.786 -2.821 7.494 1.00 20.51 N ATOM 325 HD22 ASN A 33 12.360 -3.609 7.132 1.00 0.00 H ATOM 326 HD21 ASN A 33 11.639 -2.713 8.518 1.00 0.00 H ATOM 327 H ASN A 33 11.392 -1.414 2.155 1.00 0.00 H ATOM 328 N GLY A 34 11.711 0.870 5.265 1.00 20.59 N ATOM 329 CA GLY A 34 12.693 1.927 5.462 1.00 20.46 C ATOM 330 C GLY A 34 14.081 1.345 5.674 1.00 20.42 C ATOM 331 O GLY A 34 14.253 0.131 5.819 1.00 20.40 O ATOM 332 H GLY A 34 10.973 0.723 5.983 1.00 0.00 H ATOM 333 N PHE A 35 15.073 2.221 5.709 1.00 20.42 N ATOM 334 CA PHE A 35 16.462 1.808 5.859 1.00 20.41 C ATOM 335 C PHE A 35 16.833 1.799 7.336 1.00 20.64 C ATOM 336 O PHE A 35 16.469 2.706 8.079 1.00 20.71 O ATOM 337 CB PHE A 35 17.366 2.743 5.057 1.00 20.17 C ATOM 338 CG PHE A 35 16.950 2.874 3.619 1.00 19.84 C ATOM 339 CD1 PHE A 35 17.250 1.870 2.705 1.00 19.64 C ATOM 340 CD2 PHE A 35 16.227 3.981 3.185 1.00 19.66 C ATOM 341 CE1 PHE A 35 16.858 1.976 1.380 1.00 19.70 C ATOM 342 CE2 PHE A 35 15.831 4.092 1.862 1.00 19.81 C ATOM 343 CZ PHE A 35 16.147 3.088 0.957 1.00 19.79 C ATOM 344 H PHE A 35 14.854 3.234 5.627 1.00 0.00 H ATOM 345 N GLY A 36 17.542 0.762 7.760 1.00 21.09 N ATOM 346 CA GLY A 36 17.952 0.632 9.152 1.00 21.13 C ATOM 347 C GLY A 36 18.440 -0.760 9.470 1.00 21.56 C ATOM 348 O GLY A 36 18.533 -1.613 8.592 1.00 21.93 O ATOM 349 H GLY A 36 17.813 0.022 7.081 1.00 0.00 H ATOM 350 N GLY A 37 18.747 -0.987 10.739 1.00 22.27 N ATOM 351 CA GLY A 37 19.314 -2.252 11.190 1.00 22.51 C ATOM 352 C GLY A 37 19.725 -2.154 12.644 1.00 23.31 C ATOM 353 O GLY A 37 19.209 -1.307 13.381 1.00 22.63 O ATOM 354 H GLY A 37 18.577 -0.236 11.438 1.00 0.00 H ATOM 355 N LYS A 38 20.658 -3.016 13.050 1.00 24.44 N ATOM 356 CA LYS A 38 21.126 -3.063 14.444 1.00 24.99 C ATOM 357 C LYS A 38 21.901 -1.809 14.829 1.00 24.88 C ATOM 358 O LYS A 38 22.646 -1.254 14.016 1.00 24.00 O ATOM 359 CB LYS A 38 22.015 -4.289 14.698 1.00 25.45 C ATOM 360 CG LYS A 38 21.257 -5.584 14.900 1.00 26.16 C ATOM 361 CD LYS A 38 22.210 -6.757 15.067 1.00 26.72 C ATOM 362 CE LYS A 38 21.464 -8.033 15.432 1.00 27.36 C ATOM 363 NZ LYS A 38 22.382 -9.161 15.763 1.00 27.94 N ATOM 364 HZ1 LYS A 38 22.985 -9.368 14.942 1.00 0.00 H ATOM 365 HZ2 LYS A 38 22.977 -8.896 16.574 1.00 0.00 H ATOM 366 HZ3 LYS A 38 21.821 -10.003 16.004 1.00 0.00 H ATOM 367 H LYS A 38 21.068 -3.676 12.359 1.00 0.00 H ATOM 368 N VAL A 39 21.706 -1.377 16.073 1.00 25.24 N ATOM 369 CA VAL A 39 22.516 -0.331 16.673 1.00 25.93 C ATOM 370 C VAL A 39 23.699 -1.032 17.333 1.00 26.51 C ATOM 371 O VAL A 39 23.518 -1.894 18.190 1.00 25.96 O ATOM 372 CB VAL A 39 21.725 0.494 17.709 1.00 26.07 C ATOM 373 CG1 VAL A 39 22.591 1.603 18.293 1.00 26.10 C ATOM 374 CG2 VAL A 39 20.467 1.080 17.071 1.00 26.20 C ATOM 375 H VAL A 39 20.944 -1.805 16.637 1.00 0.00 H ATOM 376 N GLN A 40 24.903 -0.660 16.909 1.00 27.72 N ATOM 377 CA GLN A 40 26.143 -1.244 17.419 1.00 28.42 C ATOM 378 C GLN A 40 26.528 -0.661 18.782 1.00 28.29 C ATOM 379 O GLN A 40 25.934 0.312 19.254 1.00 27.84 O ATOM 380 CB GLN A 40 27.291 -0.990 16.428 1.00 29.18 C ATOM 381 CG GLN A 40 27.088 -1.570 15.032 1.00 29.93 C ATOM 382 CD GLN A 40 28.208 -1.193 14.067 1.00 30.82 C ATOM 383 OE1 GLN A 40 28.691 -0.056 14.063 1.00 31.58 O ATOM 384 NE2 GLN A 40 28.619 -2.146 13.237 1.00 30.92 N ATOM 385 HE22 GLN A 40 28.185 -3.090 13.274 1.00 0.00 H ATOM 386 HE21 GLN A 40 29.375 -1.947 12.551 1.00 0.00 H ATOM 387 H GLN A 40 24.966 0.080 16.181 1.00 0.00 H ATOM 388 N GLU A 41 27.543 -1.264 19.396 1.00 28.67 N ATOM 389 CA GLU A 41 28.178 -0.715 20.596 1.00 28.82 C ATOM 390 C GLU A 41 29.007 0.497 20.166 1.00 28.33 C ATOM 391 O GLU A 41 29.673 0.446 19.130 1.00 28.54 O ATOM 392 CB GLU A 41 29.099 -1.749 21.253 1.00 29.70 C ATOM 393 CG GLU A 41 28.443 -3.071 21.643 1.00 30.41 C ATOM 394 CD GLU A 41 29.408 -4.245 21.565 1.00 31.39 C ATOM 395 OE1 GLU A 41 29.032 -5.283 20.983 1.00 32.33 O ATOM 396 OE2 GLU A 41 30.548 -4.130 22.068 1.00 31.84 O ATOM 397 H GLU A 41 27.899 -2.161 19.008 1.00 0.00 H ATOM 398 N GLY A 42 28.953 1.584 20.936 1.00 27.69 N ATOM 399 CA GLY A 42 29.822 2.750 20.701 1.00 27.27 C ATOM 400 C GLY A 42 29.308 3.812 19.737 1.00 26.82 C ATOM 401 O GLY A 42 30.028 4.768 19.429 1.00 26.65 O ATOM 402 H GLY A 42 28.277 1.610 21.726 1.00 0.00 H ATOM 403 N GLU A 43 28.079 3.644 19.248 1.00 26.28 N ATOM 404 CA GLU A 43 27.371 4.686 18.504 1.00 25.71 C ATOM 405 C GLU A 43 26.067 4.982 19.228 1.00 25.11 C ATOM 406 O GLU A 43 25.495 4.102 19.871 1.00 24.97 O ATOM 407 CB GLU A 43 27.108 4.257 17.047 1.00 25.67 C ATOM 408 CG GLU A 43 26.071 3.150 16.849 1.00 25.85 C ATOM 409 CD GLU A 43 25.925 2.695 15.401 1.00 26.05 C ATOM 410 OE1 GLU A 43 25.221 1.686 15.163 1.00 25.89 O ATOM 411 OE2 GLU A 43 26.497 3.334 14.488 1.00 26.29 O ATOM 412 H GLU A 43 27.603 2.732 19.402 1.00 0.00 H ATOM 413 N THR A 44 25.600 6.222 19.122 1.00 25.12 N ATOM 414 CA THR A 44 24.256 6.569 19.578 1.00 24.79 C ATOM 415 C THR A 44 23.247 5.965 18.607 1.00 24.63 C ATOM 416 O THR A 44 23.607 5.535 17.504 1.00 24.35 O ATOM 417 CB THR A 44 24.034 8.092 19.641 1.00 24.80 C ATOM 418 OG1 THR A 44 24.179 8.658 18.333 1.00 24.55 O ATOM 419 CG2 THR A 44 25.024 8.748 20.596 1.00 24.74 C ATOM 420 HG1 THR A 44 25.091 8.473 17.994 1.00 0.00 H ATOM 421 H THR A 44 26.203 6.960 18.706 1.00 0.00 H ATOM 422 N ILE A 45 21.983 5.954 19.016 1.00 24.70 N ATOM 423 CA ILE A 45 20.907 5.402 18.189 1.00 24.63 C ATOM 424 C ILE A 45 20.804 6.198 16.885 1.00 24.84 C ATOM 425 O ILE A 45 20.654 5.612 15.808 1.00 24.19 O ATOM 426 CB ILE A 45 19.549 5.385 18.938 1.00 24.42 C ATOM 427 CG1 ILE A 45 19.610 4.415 20.129 1.00 24.26 C ATOM 428 CG2 ILE A 45 18.416 4.963 18.009 1.00 24.17 C ATOM 429 CD1 ILE A 45 18.455 4.535 21.104 1.00 24.07 C ATOM 430 H ILE A 45 21.751 6.348 19.950 1.00 0.00 H ATOM 431 N GLU A 46 20.908 7.523 16.991 1.00 25.42 N ATOM 432 CA GLU A 46 20.828 8.398 15.822 1.00 25.98 C ATOM 433 C GLU A 46 22.015 8.232 14.874 1.00 25.96 C ATOM 434 O GLU A 46 21.848 8.361 13.660 1.00 25.84 O ATOM 435 CB GLU A 46 20.674 9.867 16.235 1.00 26.58 C ATOM 436 CG GLU A 46 20.222 10.760 15.085 1.00 27.00 C ATOM 437 CD GLU A 46 19.716 12.123 15.518 1.00 27.63 C ATOM 438 OE1 GLU A 46 19.046 12.220 16.571 1.00 27.63 O ATOM 439 OE2 GLU A 46 19.973 13.101 14.779 1.00 28.42 O ATOM 440 H GLU A 46 21.050 7.946 17.931 1.00 0.00 H ATOM 441 N ASP A 47 23.203 7.955 15.416 1.00 26.23 N ATOM 442 CA ASP A 47 24.378 7.673 14.579 1.00 26.17 C ATOM 443 C ASP A 47 24.179 6.394 13.779 1.00 25.64 C ATOM 444 O ASP A 47 24.485 6.356 12.585 1.00 26.01 O ATOM 445 CB ASP A 47 25.656 7.562 15.416 1.00 26.59 C ATOM 446 CG ASP A 47 26.125 8.898 15.961 1.00 27.25 C ATOM 447 OD1 ASP A 47 26.040 9.918 15.242 1.00 27.12 O ATOM 448 OD2 ASP A 47 26.598 8.921 17.120 1.00 28.24 O ATOM 449 H ASP A 47 23.299 7.938 16.451 1.00 0.00 H ATOM 450 N GLY A 48 23.668 5.358 14.440 1.00 24.88 N ATOM 451 CA GLY A 48 23.328 4.103 13.772 1.00 24.98 C ATOM 452 C GLY A 48 22.327 4.273 12.643 1.00 24.87 C ATOM 453 O GLY A 48 22.491 3.685 11.572 1.00 24.32 O ATOM 454 H GLY A 48 23.506 5.444 15.464 1.00 0.00 H ATOM 455 N ALA A 49 21.300 5.088 12.887 1.00 24.74 N ATOM 456 CA ALA A 49 20.283 5.398 11.879 1.00 24.75 C ATOM 457 C ALA A 49 20.905 6.038 10.642 1.00 25.01 C ATOM 458 O ALA A 49 20.651 5.599 9.518 1.00 24.47 O ATOM 459 CB ALA A 49 19.215 6.310 12.465 1.00 24.58 C ATOM 460 H ALA A 49 21.218 5.520 13.829 1.00 0.00 H ATOM 461 N LYS A 50 21.725 7.063 10.866 1.00 25.69 N ATOM 462 CA LYS A 50 22.446 7.750 9.791 1.00 26.31 C ATOM 463 C LYS A 50 23.358 6.798 9.021 1.00 26.84 C ATOM 464 O LYS A 50 23.364 6.800 7.788 1.00 26.56 O ATOM 465 CB LYS A 50 23.281 8.906 10.352 1.00 26.59 C ATOM 466 CG LYS A 50 22.472 10.094 10.850 1.00 26.92 C ATOM 467 CD LYS A 50 23.376 11.128 11.510 1.00 27.24 C ATOM 468 CE LYS A 50 22.622 12.400 11.870 1.00 27.56 C ATOM 469 NZ LYS A 50 23.499 13.396 12.545 1.00 27.45 N ATOM 470 HZ1 LYS A 50 23.879 12.984 13.421 1.00 0.00 H ATOM 471 HZ2 LYS A 50 24.283 13.651 11.912 1.00 0.00 H ATOM 472 HZ3 LYS A 50 22.945 14.246 12.772 1.00 0.00 H ATOM 473 H LYS A 50 21.859 7.389 11.844 1.00 0.00 H ATOM 474 N ARG A 51 24.119 5.992 9.764 1.00 27.62 N ATOM 475 CA ARG A 51 25.064 5.024 9.194 1.00 28.25 C ATOM 476 C ARG A 51 24.377 4.032 8.260 1.00 28.51 C ATOM 477 O ARG A 51 24.797 3.866 7.114 1.00 28.27 O ATOM 478 CB ARG A 51 25.767 4.265 10.324 1.00 28.85 C ATOM 479 CG ARG A 51 26.758 3.192 9.889 1.00 29.21 C ATOM 480 CD ARG A 51 27.432 2.560 11.098 1.00 29.67 C ATOM 481 NE ARG A 51 26.465 1.959 12.022 1.00 29.93 N ATOM 482 CZ ARG A 51 25.838 0.793 11.838 1.00 30.12 C ATOM 483 NH1 ARG A 51 26.042 0.055 10.746 1.00 30.15 N ATOM 484 NH2 ARG A 51 24.980 0.360 12.760 1.00 30.16 N ATOM 485 HE ARG A 51 26.249 2.484 12.893 1.00 0.00 H ATOM 486 HH12 ARG A 51 25.541 -0.849 10.628 1.00 0.00 H ATOM 487 HH11 ARG A 51 26.702 0.383 10.012 1.00 0.00 H ATOM 488 HH22 ARG A 51 24.487 -0.546 12.627 1.00 0.00 H ATOM 489 HH21 ARG A 51 24.803 0.928 13.613 1.00 0.00 H ATOM 490 H ARG A 51 24.039 6.053 10.799 1.00 0.00 H ATOM 491 N GLU A 52 23.325 3.384 8.762 1.00 28.93 N ATOM 492 CA GLU A 52 22.562 2.399 7.983 1.00 29.49 C ATOM 493 C GLU A 52 21.892 3.040 6.757 1.00 29.03 C ATOM 494 O GLU A 52 21.754 2.387 5.728 1.00 29.19 O ATOM 495 CB GLU A 52 21.501 1.689 8.844 1.00 30.35 C ATOM 496 CG GLU A 52 22.031 0.858 10.014 1.00 30.93 C ATOM 497 CD GLU A 52 22.517 -0.535 9.637 1.00 31.85 C ATOM 498 OE1 GLU A 52 22.861 -0.780 8.461 1.00 33.35 O ATOM 499 OE2 GLU A 52 22.567 -1.399 10.538 1.00 32.64 O ATOM 500 H GLU A 52 23.034 3.583 9.740 1.00 0.00 H ATOM 501 N LEU A 53 21.486 4.307 6.870 1.00 28.27 N ATOM 502 CA LEU A 53 20.977 5.064 5.720 1.00 27.68 C ATOM 503 C LEU A 53 22.068 5.299 4.673 1.00 27.04 C ATOM 504 O LEU A 53 21.820 5.153 3.477 1.00 26.85 O ATOM 505 CB LEU A 53 20.371 6.406 6.159 1.00 27.69 C ATOM 506 CG LEU A 53 19.666 7.232 5.072 1.00 27.85 C ATOM 507 CD1 LEU A 53 18.443 6.509 4.526 1.00 27.98 C ATOM 508 CD2 LEU A 53 19.281 8.601 5.608 1.00 27.90 C ATOM 509 H LEU A 53 21.532 4.771 7.800 1.00 0.00 H ATOM 510 N LEU A 54 23.269 5.658 5.122 1.00 26.77 N ATOM 511 CA LEU A 54 24.409 5.822 4.216 1.00 26.85 C ATOM 512 C LEU A 54 24.776 4.500 3.549 1.00 26.40 C ATOM 513 O LEU A 54 24.935 4.441 2.334 1.00 26.19 O ATOM 514 CB LEU A 54 25.628 6.386 4.955 1.00 26.97 C ATOM 515 CG LEU A 54 26.763 6.930 4.076 1.00 26.98 C ATOM 516 CD1 LEU A 54 26.374 8.262 3.454 1.00 27.01 C ATOM 517 CD2 LEU A 54 28.047 7.080 4.877 1.00 27.11 C ATOM 518 H LEU A 54 23.401 5.826 6.140 1.00 0.00 H ATOM 519 N GLU A 55 24.885 3.444 4.350 1.00 26.58 N ATOM 520 CA GLU A 55 25.321 2.132 3.861 1.00 26.89 C ATOM 521 C GLU A 55 24.304 1.445 2.939 1.00 26.51 C ATOM 522 O GLU A 55 24.697 0.845 1.932 1.00 26.58 O ATOM 523 CB GLU A 55 25.702 1.224 5.041 1.00 27.46 C ATOM 524 CG GLU A 55 26.981 1.681 5.737 1.00 28.12 C ATOM 525 CD GLU A 55 27.277 0.973 7.051 1.00 29.12 C ATOM 526 OE1 GLU A 55 26.490 0.099 7.477 1.00 30.13 O ATOM 527 OE2 GLU A 55 28.316 1.299 7.669 1.00 29.83 O ATOM 528 H GLU A 55 24.653 3.552 5.358 1.00 0.00 H ATOM 529 N GLU A 56 23.014 1.556 3.262 1.00 25.90 N ATOM 530 CA GLU A 56 21.953 0.857 2.512 1.00 25.38 C ATOM 531 C GLU A 56 21.400 1.611 1.291 1.00 24.64 C ATOM 532 O GLU A 56 20.995 0.980 0.316 1.00 24.12 O ATOM 533 CB GLU A 56 20.804 0.472 3.448 1.00 25.37 C ATOM 534 CG GLU A 56 21.222 -0.503 4.541 1.00 25.81 C ATOM 535 CD GLU A 56 20.141 -0.780 5.572 1.00 26.25 C ATOM 536 OE1 GLU A 56 19.126 -0.050 5.622 1.00 26.14 O ATOM 537 OE2 GLU A 56 20.314 -1.744 6.347 1.00 26.62 O ATOM 538 H GLU A 56 22.748 2.155 4.069 1.00 0.00 H ATOM 539 N SER A 57 21.358 2.941 1.354 1.00 24.34 N ATOM 540 CA SER A 57 20.853 3.768 0.245 1.00 24.09 C ATOM 541 C SER A 57 21.914 4.618 -0.468 1.00 23.81 C ATOM 542 O SER A 57 21.756 4.910 -1.651 1.00 23.97 O ATOM 543 CB SER A 57 19.715 4.672 0.733 1.00 24.04 C ATOM 544 OG SER A 57 20.199 5.773 1.482 1.00 24.12 O ATOM 545 HG SER A 57 20.693 5.441 2.273 1.00 0.00 H ATOM 546 H SER A 57 21.694 3.413 2.218 1.00 0.00 H ATOM 547 N GLY A 58 22.967 5.028 0.240 1.00 23.22 N ATOM 548 CA GLY A 58 23.988 5.921 -0.315 1.00 22.99 C ATOM 549 C GLY A 58 23.752 7.394 -0.025 1.00 22.85 C ATOM 550 O GLY A 58 24.434 8.246 -0.590 1.00 22.61 O ATOM 551 H GLY A 58 23.067 4.702 1.222 1.00 0.00 H ATOM 552 N LEU A 59 22.816 7.692 0.879 1.00 23.15 N ATOM 553 CA LEU A 59 22.376 9.062 1.161 1.00 23.08 C ATOM 554 C LEU A 59 22.896 9.578 2.506 1.00 23.28 C ATOM 555 O LEU A 59 23.007 8.816 3.469 1.00 22.54 O ATOM 556 CB LEU A 59 20.851 9.116 1.172 1.00 23.00 C ATOM 557 CG LEU A 59 20.118 8.628 -0.077 1.00 22.91 C ATOM 558 CD1 LEU A 59 18.631 8.530 0.220 1.00 22.98 C ATOM 559 CD2 LEU A 59 20.380 9.555 -1.255 1.00 23.05 C ATOM 560 H LEU A 59 22.377 6.913 1.410 1.00 0.00 H ATOM 561 N SER A 60 23.192 10.879 2.557 1.00 24.13 N ATOM 562 CA SER A 60 23.662 11.551 3.773 1.00 24.80 C ATOM 563 C SER A 60 22.617 12.514 4.309 1.00 25.47 C ATOM 564 O SER A 60 21.765 12.999 3.566 1.00 25.83 O ATOM 565 CB SER A 60 24.950 12.330 3.503 1.00 24.69 C ATOM 566 OG SER A 60 26.039 11.450 3.335 1.00 25.05 O ATOM 567 HG SER A 60 26.861 11.974 3.162 1.00 0.00 H ATOM 568 H SER A 60 23.084 11.444 1.691 1.00 0.00 H ATOM 569 N VAL A 61 22.705 12.786 5.609 1.00 26.23 N ATOM 570 CA VAL A 61 21.879 13.792 6.269 1.00 26.66 C ATOM 571 C VAL A 61 22.707 14.569 7.284 1.00 27.16 C ATOM 572 O VAL A 61 23.749 14.097 7.742 1.00 27.29 O ATOM 573 CB VAL A 61 20.655 13.174 6.990 1.00 26.84 C ATOM 574 CG1 VAL A 61 19.773 12.428 6.003 1.00 26.88 C ATOM 575 CG2 VAL A 61 21.071 12.254 8.135 1.00 26.96 C ATOM 576 H VAL A 61 23.394 12.257 6.181 1.00 0.00 H ATOM 577 N ASP A 62 22.232 15.768 7.605 1.00 27.66 N ATOM 578 CA ASP A 62 22.727 16.544 8.736 1.00 27.96 C ATOM 579 C ASP A 62 21.966 16.155 10.005 1.00 28.44 C ATOM 580 O ASP A 62 22.567 16.030 11.077 1.00 28.82 O ATOM 581 CB ASP A 62 22.543 18.046 8.482 1.00 27.99 C ATOM 582 CG ASP A 62 23.297 18.544 7.253 1.00 27.80 C ATOM 583 OD1 ASP A 62 24.438 18.104 7.015 1.00 28.03 O ATOM 584 OD2 ASP A 62 22.750 19.401 6.532 1.00 28.10 O ATOM 585 H ASP A 62 21.471 16.172 7.022 1.00 0.00 H ATOM 586 N THR A 63 20.648 15.970 9.868 1.00 28.93 N ATOM 587 CA THR A 63 19.717 15.801 10.993 1.00 28.57 C ATOM 588 C THR A 63 18.586 14.815 10.649 1.00 28.11 C ATOM 589 O THR A 63 18.242 14.642 9.480 1.00 28.52 O ATOM 590 CB THR A 63 19.087 17.165 11.368 1.00 29.06 C ATOM 591 OG1 THR A 63 20.119 18.146 11.543 1.00 29.57 O ATOM 592 CG2 THR A 63 18.275 17.081 12.652 1.00 29.78 C ATOM 593 HG1 THR A 63 19.710 19.015 11.782 1.00 0.00 H ATOM 594 H THR A 63 20.257 15.944 8.904 1.00 0.00 H ATOM 595 N LEU A 64 18.027 14.174 11.677 1.00 27.82 N ATOM 596 CA LEU A 64 16.807 13.363 11.564 1.00 27.60 C ATOM 597 C LEU A 64 15.757 13.856 12.550 1.00 28.15 C ATOM 598 O LEU A 64 16.075 14.578 13.500 1.00 27.84 O ATOM 599 CB LEU A 64 17.096 11.894 11.867 1.00 27.01 C ATOM 600 CG LEU A 64 18.152 11.189 11.024 1.00 26.47 C ATOM 601 CD1 LEU A 64 18.366 9.780 11.553 1.00 26.55 C ATOM 602 CD2 LEU A 64 17.752 11.155 9.561 1.00 26.30 C ATOM 603 H LEU A 64 18.480 14.253 12.610 1.00 0.00 H ATOM 604 N HIS A 65 14.508 13.454 12.315 1.00 28.92 N ATOM 605 CA HIS A 65 13.393 13.740 13.223 1.00 29.41 C ATOM 606 C HIS A 65 13.048 12.485 14.021 1.00 29.59 C ATOM 607 O HIS A 65 13.145 11.378 13.493 1.00 29.34 O ATOM 608 CB HIS A 65 12.162 14.186 12.435 1.00 29.59 C ATOM 609 CG HIS A 65 12.342 15.481 11.705 1.00 30.11 C ATOM 610 ND1 HIS A 65 12.218 16.704 12.327 1.00 30.32 N ATOM 611 CD2 HIS A 65 12.619 15.745 10.406 1.00 30.11 C ATOM 612 CE1 HIS A 65 12.416 17.666 11.445 1.00 29.99 C ATOM 613 NE2 HIS A 65 12.659 17.112 10.271 1.00 29.88 N ATOM 614 H HIS A 65 14.316 12.913 11.448 1.00 0.00 H ATOM 615 N LYS A 66 12.641 12.668 15.281 1.00 29.87 N ATOM 616 CA LYS A 66 12.139 11.567 16.119 1.00 30.03 C ATOM 617 C LYS A 66 10.659 11.403 15.782 1.00 29.64 C ATOM 618 O LYS A 66 9.880 12.334 16.007 1.00 30.57 O ATOM 619 CB LYS A 66 12.284 11.867 17.625 1.00 30.67 C ATOM 620 CG LYS A 66 13.618 12.436 18.096 1.00 31.16 C ATOM 621 CD LYS A 66 14.777 11.488 17.867 1.00 31.63 C ATOM 622 CE LYS A 66 16.112 12.189 18.085 1.00 32.01 C ATOM 623 NZ LYS A 66 16.457 13.135 16.981 1.00 32.26 N ATOM 624 HZ1 LYS A 66 16.515 12.612 16.084 1.00 0.00 H ATOM 625 HZ2 LYS A 66 15.721 13.867 16.911 1.00 0.00 H ATOM 626 HZ3 LYS A 66 17.374 13.582 17.183 1.00 0.00 H ATOM 627 H LYS A 66 12.681 13.626 15.685 1.00 0.00 H ATOM 628 N VAL A 67 10.270 10.249 15.234 1.00 28.76 N ATOM 629 CA VAL A 67 8.867 10.017 14.830 1.00 28.24 C ATOM 630 C VAL A 67 8.147 8.826 15.472 1.00 27.99 C ATOM 631 O VAL A 67 6.915 8.825 15.521 1.00 28.44 O ATOM 632 CB VAL A 67 8.720 9.913 13.291 1.00 27.97 C ATOM 633 CG1 VAL A 67 9.186 11.206 12.630 1.00 28.12 C ATOM 634 CG2 VAL A 67 9.473 8.716 12.726 1.00 27.63 C ATOM 635 H VAL A 67 10.971 9.495 15.088 1.00 0.00 H ATOM 636 N GLY A 68 8.885 7.821 15.942 1.00 27.57 N ATOM 637 CA GLY A 68 8.263 6.601 16.456 1.00 27.43 C ATOM 638 C GLY A 68 9.155 5.773 17.357 1.00 27.33 C ATOM 639 O GLY A 68 10.378 5.795 17.216 1.00 27.67 O ATOM 640 H GLY A 68 9.922 7.906 15.943 1.00 0.00 H ATOM 641 N HIS A 69 8.531 5.049 18.284 1.00 27.21 N ATOM 642 CA HIS A 69 9.221 4.101 19.157 1.00 27.35 C ATOM 643 C HIS A 69 8.344 2.854 19.271 1.00 26.88 C ATOM 644 O HIS A 69 7.383 2.838 20.036 1.00 27.36 O ATOM 645 CB HIS A 69 9.479 4.735 20.533 1.00 28.00 C ATOM 646 CG HIS A 69 10.382 3.934 21.426 1.00 28.66 C ATOM 647 ND1 HIS A 69 10.922 4.452 22.584 1.00 29.03 N ATOM 648 CD2 HIS A 69 10.848 2.664 21.332 1.00 29.07 C ATOM 649 CE1 HIS A 69 11.670 3.534 23.171 1.00 29.23 C ATOM 650 NE2 HIS A 69 11.643 2.440 22.431 1.00 29.37 N ATOM 651 H HIS A 69 7.503 5.163 18.392 1.00 0.00 H ATOM 652 N ILE A 70 8.671 1.819 18.496 1.00 26.40 N ATOM 653 CA ILE A 70 7.887 0.579 18.469 1.00 26.28 C ATOM 654 C ILE A 70 8.716 -0.588 19.000 1.00 25.65 C ATOM 655 O ILE A 70 9.833 -0.803 18.545 1.00 25.21 O ATOM 656 CB ILE A 70 7.406 0.226 17.039 1.00 26.48 C ATOM 657 CG1 ILE A 70 6.734 1.428 16.360 1.00 26.83 C ATOM 658 CG2 ILE A 70 6.457 -0.970 17.073 1.00 26.46 C ATOM 659 CD1 ILE A 70 5.492 1.948 17.058 1.00 27.10 C ATOM 660 H ILE A 70 9.512 1.894 17.889 1.00 0.00 H ATOM 661 N SER A 71 8.158 -1.342 19.947 1.00 25.68 N ATOM 662 CA SER A 71 8.796 -2.557 20.466 1.00 26.39 C ATOM 663 C SER A 71 8.105 -3.813 19.919 1.00 26.26 C ATOM 664 O SER A 71 6.924 -4.028 20.183 1.00 26.51 O ATOM 665 CB SER A 71 8.776 -2.566 21.996 1.00 26.56 C ATOM 666 OG SER A 71 7.497 -2.225 22.491 1.00 27.54 O ATOM 667 HG SER A 71 6.832 -2.880 22.162 1.00 0.00 H ATOM 668 H SER A 71 7.235 -1.058 20.333 1.00 0.00 H ATOM 669 N PHE A 72 8.838 -4.635 19.168 1.00 26.03 N ATOM 670 CA PHE A 72 8.280 -5.862 18.579 1.00 26.57 C ATOM 671 C PHE A 72 8.678 -7.106 19.365 1.00 27.06 C ATOM 672 O PHE A 72 9.798 -7.196 19.870 1.00 27.54 O ATOM 673 CB PHE A 72 8.730 -6.016 17.124 1.00 26.47 C ATOM 674 CG PHE A 72 8.238 -4.925 16.225 1.00 26.67 C ATOM 675 CD1 PHE A 72 6.957 -4.975 15.714 1.00 26.86 C ATOM 676 CD2 PHE A 72 9.048 -3.852 15.891 1.00 26.85 C ATOM 677 CE1 PHE A 72 6.476 -3.974 14.888 1.00 26.81 C ATOM 678 CE2 PHE A 72 8.581 -2.845 15.061 1.00 27.02 C ATOM 679 CZ PHE A 72 7.292 -2.908 14.555 1.00 26.97 C ATOM 680 H PHE A 72 9.836 -4.401 18.993 1.00 0.00 H ATOM 681 N GLU A 73 7.756 -8.060 19.467 1.00 27.60 N ATOM 682 CA GLU A 73 8.066 -9.387 20.007 1.00 28.01 C ATOM 683 C GLU A 73 7.322 -10.472 19.240 1.00 27.95 C ATOM 684 O GLU A 73 6.293 -10.212 18.615 1.00 26.90 O ATOM 685 CB GLU A 73 7.753 -9.466 21.507 1.00 28.26 C ATOM 686 CG GLU A 73 6.278 -9.454 21.866 1.00 28.63 C ATOM 687 CD GLU A 73 6.056 -9.542 23.360 1.00 29.25 C ATOM 688 OE1 GLU A 73 6.531 -8.643 24.085 1.00 29.49 O ATOM 689 OE2 GLU A 73 5.405 -10.509 23.810 1.00 30.16 O ATOM 690 H GLU A 73 6.785 -7.858 19.154 1.00 0.00 H ATOM 691 N PHE A 74 7.866 -11.684 19.297 1.00 28.73 N ATOM 692 CA PHE A 74 7.287 -12.846 18.635 1.00 29.48 C ATOM 693 C PHE A 74 6.911 -13.891 19.673 1.00 30.04 C ATOM 694 O PHE A 74 7.544 -13.983 20.727 1.00 29.87 O ATOM 695 CB PHE A 74 8.270 -13.429 17.616 1.00 29.65 C ATOM 696 CG PHE A 74 8.293 -12.690 16.307 1.00 29.57 C ATOM 697 CD1 PHE A 74 8.992 -11.492 16.181 1.00 29.48 C ATOM 698 CD2 PHE A 74 7.610 -13.186 15.197 1.00 29.74 C ATOM 699 CE1 PHE A 74 9.010 -10.802 14.976 1.00 29.43 C ATOM 700 CE2 PHE A 74 7.627 -12.501 13.989 1.00 29.87 C ATOM 701 CZ PHE A 74 8.327 -11.307 13.878 1.00 29.66 C ATOM 702 H PHE A 74 8.745 -11.808 19.839 1.00 0.00 H ATOM 703 N VAL A 75 5.878 -14.672 19.364 1.00 31.04 N ATOM 704 CA VAL A 75 5.420 -15.742 20.250 1.00 32.22 C ATOM 705 C VAL A 75 6.505 -16.822 20.313 1.00 33.53 C ATOM 706 O VAL A 75 7.098 -17.174 19.291 1.00 33.70 O ATOM 707 CB VAL A 75 4.066 -16.338 19.783 1.00 32.24 C ATOM 708 CG1 VAL A 75 3.682 -17.563 20.611 1.00 32.32 C ATOM 709 CG2 VAL A 75 2.967 -15.286 19.867 1.00 32.17 C ATOM 710 H VAL A 75 5.381 -14.516 18.464 1.00 0.00 H ATOM 711 N GLY A 76 6.777 -17.312 21.521 1.00 35.32 N ATOM 712 CA GLY A 76 7.834 -18.305 21.751 1.00 36.71 C ATOM 713 C GLY A 76 9.274 -17.826 21.569 1.00 37.49 C ATOM 714 O GLY A 76 10.176 -18.652 21.382 1.00 37.33 O ATOM 715 H GLY A 76 6.219 -16.978 22.333 1.00 0.00 H ATOM 716 N SER A 77 9.494 -16.509 21.633 1.00 37.80 N ATOM 717 CA SER A 77 10.828 -15.918 21.502 1.00 38.23 C ATOM 718 C SER A 77 11.118 -14.994 22.693 1.00 38.76 C ATOM 719 O SER A 77 10.294 -14.134 23.019 1.00 38.01 O ATOM 720 CB SER A 77 10.936 -15.126 20.201 1.00 38.48 C ATOM 721 OG SER A 77 12.198 -14.486 20.102 1.00 38.81 O ATOM 722 HG SER A 77 12.244 -13.980 19.252 1.00 0.00 H ATOM 723 H SER A 77 8.682 -15.876 21.782 1.00 0.00 H ATOM 724 N PRO A 78 12.292 -15.158 23.336 1.00 39.06 N ATOM 725 CA PRO A 78 12.634 -14.337 24.495 1.00 39.26 C ATOM 726 C PRO A 78 13.129 -12.922 24.157 1.00 39.16 C ATOM 727 O PRO A 78 13.065 -12.038 25.019 1.00 39.25 O ATOM 728 CB PRO A 78 13.755 -15.142 25.153 1.00 39.60 C ATOM 729 CG PRO A 78 14.460 -15.769 24.001 1.00 39.80 C ATOM 730 CD PRO A 78 13.388 -16.089 22.995 1.00 39.62 C ATOM 731 N GLU A 79 13.616 -12.708 22.932 1.00 38.78 N ATOM 732 CA GLU A 79 14.280 -11.456 22.569 1.00 38.58 C ATOM 733 C GLU A 79 13.331 -10.466 21.894 1.00 37.34 C ATOM 734 O GLU A 79 12.612 -10.820 20.956 1.00 37.45 O ATOM 735 CB GLU A 79 15.478 -11.734 21.659 1.00 39.59 C ATOM 736 CG GLU A 79 16.504 -10.607 21.658 1.00 40.32 C ATOM 737 CD GLU A 79 17.762 -10.942 20.881 1.00 41.05 C ATOM 738 OE1 GLU A 79 18.223 -12.102 20.956 1.00 41.85 O ATOM 739 OE2 GLU A 79 18.301 -10.038 20.205 1.00 41.36 O ATOM 740 H GLU A 79 13.520 -13.454 22.214 1.00 0.00 H ATOM 741 N LEU A 80 13.365 -9.221 22.373 1.00 35.73 N ATOM 742 CA LEU A 80 12.500 -8.141 21.896 1.00 34.53 C ATOM 743 C LEU A 80 13.273 -7.202 20.958 1.00 33.12 C ATOM 744 O LEU A 80 14.476 -6.994 21.133 1.00 32.95 O ATOM 745 CB LEU A 80 11.936 -7.378 23.105 1.00 34.31 C ATOM 746 CG LEU A 80 11.021 -6.165 22.878 1.00 34.59 C ATOM 747 CD1 LEU A 80 9.857 -6.161 23.862 1.00 34.86 C ATOM 748 CD2 LEU A 80 11.775 -4.846 22.957 1.00 34.53 C ATOM 749 H LEU A 80 14.046 -9.006 23.129 1.00 0.00 H ATOM 750 N MET A 81 12.582 -6.661 19.954 1.00 31.50 N ATOM 751 CA MET A 81 13.151 -5.646 19.061 1.00 30.07 C ATOM 752 C MET A 81 12.690 -4.281 19.539 1.00 28.39 C ATOM 753 O MET A 81 11.492 -4.030 19.598 1.00 27.33 O ATOM 754 CB MET A 81 12.688 -5.849 17.618 1.00 30.26 C ATOM 755 CG MET A 81 13.177 -7.128 16.961 1.00 30.75 C ATOM 756 SD MET A 81 12.667 -7.247 15.232 1.00 30.75 S ATOM 757 CE MET A 81 13.844 -6.151 14.442 1.00 31.07 C ATOM 758 H MET A 81 11.602 -6.971 19.798 1.00 0.00 H ATOM 759 N ASP A 82 13.640 -3.413 19.883 1.00 27.39 N ATOM 760 CA ASP A 82 13.340 -2.060 20.346 1.00 26.67 C ATOM 761 C ASP A 82 13.700 -1.066 19.238 1.00 25.38 C ATOM 762 O ASP A 82 14.859 -0.664 19.099 1.00 25.04 O ATOM 763 CB ASP A 82 14.098 -1.767 21.647 1.00 27.01 C ATOM 764 CG ASP A 82 13.560 -0.554 22.378 1.00 27.38 C ATOM 765 OD1 ASP A 82 12.329 -0.458 22.575 1.00 27.90 O ATOM 766 OD2 ASP A 82 14.371 0.303 22.770 1.00 28.33 O ATOM 767 H ASP A 82 14.635 -3.710 19.820 1.00 0.00 H ATOM 768 N VAL A 83 12.691 -0.687 18.452 1.00 24.18 N ATOM 769 CA VAL A 83 12.883 0.076 17.210 1.00 23.47 C ATOM 770 C VAL A 83 12.656 1.579 17.414 1.00 22.66 C ATOM 771 O VAL A 83 11.567 1.999 17.805 1.00 22.04 O ATOM 772 CB VAL A 83 11.940 -0.425 16.081 1.00 23.37 C ATOM 773 CG1 VAL A 83 12.254 0.271 14.755 1.00 23.16 C ATOM 774 CG2 VAL A 83 12.033 -1.942 15.932 1.00 23.49 C ATOM 775 H VAL A 83 11.723 -0.943 18.731 1.00 0.00 H ATOM 776 N HIS A 84 13.692 2.371 17.137 1.00 22.00 N ATOM 777 CA HIS A 84 13.611 3.828 17.154 1.00 21.68 C ATOM 778 C HIS A 84 13.445 4.320 15.721 1.00 21.41 C ATOM 779 O HIS A 84 14.377 4.239 14.917 1.00 21.28 O ATOM 780 CB HIS A 84 14.868 4.422 17.791 1.00 21.66 C ATOM 781 CG HIS A 84 14.987 4.131 19.252 1.00 21.60 C ATOM 782 ND1 HIS A 84 14.845 5.104 20.217 1.00 21.65 N ATOM 783 CD2 HIS A 84 15.212 2.972 19.914 1.00 21.75 C ATOM 784 CE1 HIS A 84 14.987 4.558 21.412 1.00 21.92 C ATOM 785 NE2 HIS A 84 15.211 3.265 21.256 1.00 22.03 N ATOM 786 H HIS A 84 14.602 1.929 16.897 1.00 0.00 H ATOM 787 N ILE A 85 12.252 4.822 15.409 1.00 21.07 N ATOM 788 CA ILE A 85 11.888 5.197 14.042 1.00 21.02 C ATOM 789 C ILE A 85 12.157 6.691 13.815 1.00 20.85 C ATOM 790 O ILE A 85 11.765 7.527 14.633 1.00 20.47 O ATOM 791 CB ILE A 85 10.411 4.846 13.736 1.00 20.83 C ATOM 792 CG1 ILE A 85 10.146 3.361 14.039 1.00 20.73 C ATOM 793 CG2 ILE A 85 10.083 5.140 12.277 1.00 20.89 C ATOM 794 CD1 ILE A 85 8.705 2.921 13.898 1.00 20.69 C ATOM 795 H ILE A 85 11.551 4.953 16.166 1.00 0.00 H ATOM 796 N PHE A 86 12.829 7.006 12.705 1.00 20.77 N ATOM 797 CA PHE A 86 13.175 8.381 12.339 1.00 21.07 C ATOM 798 C PHE A 86 12.673 8.693 10.940 1.00 21.27 C ATOM 799 O PHE A 86 12.611 7.804 10.088 1.00 21.20 O ATOM 800 CB PHE A 86 14.696 8.592 12.347 1.00 21.20 C ATOM 801 CG PHE A 86 15.351 8.365 13.684 1.00 21.04 C ATOM 802 CD1 PHE A 86 15.643 7.077 14.121 1.00 21.02 C ATOM 803 CD2 PHE A 86 15.709 9.441 14.496 1.00 21.10 C ATOM 804 CE1 PHE A 86 16.257 6.861 15.349 1.00 21.08 C ATOM 805 CE2 PHE A 86 16.332 9.229 15.723 1.00 20.98 C ATOM 806 CZ PHE A 86 16.605 7.939 16.149 1.00 20.94 C ATOM 807 H PHE A 86 13.121 6.237 12.069 1.00 0.00 H ATOM 808 N SER A 87 12.322 9.957 10.705 1.00 21.66 N ATOM 809 CA SER A 87 12.093 10.450 9.348 1.00 22.00 C ATOM 810 C SER A 87 13.290 11.287 8.901 1.00 22.24 C ATOM 811 O SER A 87 13.863 12.039 9.690 1.00 22.05 O ATOM 812 CB SER A 87 10.799 11.261 9.252 1.00 22.13 C ATOM 813 OG SER A 87 10.995 12.629 9.560 1.00 22.37 O ATOM 814 HG SER A 87 10.133 13.110 9.484 1.00 0.00 H ATOM 815 H SER A 87 12.208 10.609 11.507 1.00 0.00 H ATOM 816 N ALA A 88 13.670 11.121 7.638 1.00 22.89 N ATOM 817 CA ALA A 88 14.647 11.978 6.989 1.00 23.46 C ATOM 818 C ALA A 88 13.919 12.724 5.885 1.00 23.83 C ATOM 819 O ALA A 88 13.784 12.222 4.771 1.00 24.09 O ATOM 820 CB ALA A 88 15.782 11.147 6.422 1.00 23.79 C ATOM 821 H ALA A 88 13.249 10.343 7.090 1.00 0.00 H ATOM 822 N ASP A 89 13.430 13.916 6.212 1.00 24.62 N ATOM 823 CA ASP A 89 12.697 14.750 5.246 1.00 25.43 C ATOM 824 C ASP A 89 13.606 15.601 4.341 1.00 26.13 C ATOM 825 O ASP A 89 13.109 16.358 3.502 1.00 26.56 O ATOM 826 CB ASP A 89 11.634 15.614 5.949 1.00 25.51 C ATOM 827 CG ASP A 89 12.220 16.610 6.943 1.00 25.63 C ATOM 828 OD1 ASP A 89 13.460 16.713 7.077 1.00 25.17 O ATOM 829 OD2 ASP A 89 11.421 17.304 7.607 1.00 26.49 O ATOM 830 H ASP A 89 13.570 14.270 7.180 1.00 0.00 H ATOM 831 N HIS A 90 14.923 15.492 4.533 1.00 26.77 N ATOM 832 CA HIS A 90 15.914 16.136 3.676 1.00 27.11 C ATOM 833 C HIS A 90 17.137 15.232 3.550 1.00 27.15 C ATOM 834 O HIS A 90 17.594 14.671 4.546 1.00 27.42 O ATOM 835 CB HIS A 90 16.319 17.479 4.278 1.00 27.71 C ATOM 836 CG HIS A 90 17.253 18.270 3.419 1.00 28.12 C ATOM 837 ND1 HIS A 90 16.825 19.003 2.334 1.00 28.46 N ATOM 838 CD2 HIS A 90 18.594 18.443 3.485 1.00 28.47 C ATOM 839 CE1 HIS A 90 17.862 19.594 1.768 1.00 28.61 C ATOM 840 NE2 HIS A 90 18.947 19.269 2.447 1.00 28.69 N ATOM 841 H HIS A 90 15.260 14.920 5.333 1.00 0.00 H ATOM 842 N VAL A 91 17.665 15.106 2.332 1.00 27.30 N ATOM 843 CA VAL A 91 18.782 14.193 2.039 1.00 27.17 C ATOM 844 C VAL A 91 19.755 14.771 1.013 1.00 27.45 C ATOM 845 O VAL A 91 19.371 15.606 0.190 1.00 27.01 O ATOM 846 CB VAL A 91 18.278 12.824 1.515 1.00 27.06 C ATOM 847 CG1 VAL A 91 17.815 11.940 2.666 1.00 27.06 C ATOM 848 CG2 VAL A 91 17.166 12.999 0.486 1.00 26.92 C ATOM 849 H VAL A 91 17.271 15.677 1.557 1.00 0.00 H ATOM 850 N HIS A 92 21.010 14.317 1.083 1.00 28.01 N ATOM 851 CA HIS A 92 22.044 14.629 0.089 1.00 28.34 C ATOM 852 C HIS A 92 22.476 13.347 -0.618 1.00 28.25 C ATOM 853 O HIS A 92 22.448 12.265 -0.024 1.00 27.71 O ATOM 854 CB HIS A 92 23.263 15.273 0.752 1.00 29.07 C ATOM 855 CG HIS A 92 22.933 16.450 1.614 1.00 30.01 C ATOM 856 ND1 HIS A 92 23.433 16.604 2.889 1.00 30.88 N ATOM 857 CD2 HIS A 92 22.141 17.524 1.388 1.00 30.37 C ATOM 858 CE1 HIS A 92 22.970 17.727 3.409 1.00 31.03 C ATOM 859 NE2 HIS A 92 22.182 18.304 2.519 1.00 30.85 N ATOM 860 H HIS A 92 21.268 13.709 1.886 1.00 0.00 H ATOM 861 N GLY A 93 22.880 13.481 -1.881 1.00 28.06 N ATOM 862 CA GLY A 93 23.365 12.353 -2.677 1.00 28.18 C ATOM 863 C GLY A 93 22.281 11.690 -3.506 1.00 28.33 C ATOM 864 O GLY A 93 21.120 12.097 -3.467 1.00 28.79 O ATOM 865 H GLY A 93 22.849 14.424 -2.318 1.00 0.00 H ATOM 866 N THR A 94 22.673 10.667 -4.262 1.00 28.75 N ATOM 867 CA THR A 94 21.757 9.925 -5.136 1.00 29.14 C ATOM 868 C THR A 94 21.418 8.573 -4.501 1.00 29.05 C ATOM 869 O THR A 94 22.309 7.916 -3.959 1.00 29.81 O ATOM 870 CB THR A 94 22.385 9.672 -6.524 1.00 29.16 C ATOM 871 OG1 THR A 94 22.927 10.893 -7.039 1.00 28.99 O ATOM 872 CG2 THR A 94 21.345 9.134 -7.509 1.00 29.45 C ATOM 873 HG1 THR A 94 23.328 10.725 -7.928 1.00 0.00 H ATOM 874 H THR A 94 23.672 10.381 -4.232 1.00 0.00 H ATOM 875 N PRO A 95 20.138 8.147 -4.564 1.00 28.62 N ATOM 876 CA PRO A 95 19.823 6.795 -4.094 1.00 28.58 C ATOM 877 C PRO A 95 20.531 5.724 -4.928 1.00 28.36 C ATOM 878 O PRO A 95 20.364 5.682 -6.148 1.00 28.16 O ATOM 879 CB PRO A 95 18.298 6.698 -4.259 1.00 28.64 C ATOM 880 CG PRO A 95 17.821 8.103 -4.322 1.00 28.68 C ATOM 881 CD PRO A 95 18.925 8.886 -4.958 1.00 28.67 C ATOM 882 N THR A 96 21.331 4.897 -4.258 1.00 28.36 N ATOM 883 CA THR A 96 22.105 3.834 -4.891 1.00 28.07 C ATOM 884 C THR A 96 21.723 2.486 -4.299 1.00 27.70 C ATOM 885 O THR A 96 21.637 2.336 -3.080 1.00 27.61 O ATOM 886 CB THR A 96 23.615 4.045 -4.676 1.00 28.12 C ATOM 887 OG1 THR A 96 23.991 5.328 -5.182 1.00 28.08 O ATOM 888 CG2 THR A 96 24.435 2.963 -5.386 1.00 28.34 C ATOM 889 HG1 THR A 96 23.486 6.032 -4.702 1.00 0.00 H ATOM 890 H THR A 96 21.408 5.015 -3.228 1.00 0.00 H ATOM 891 N GLU A 97 21.509 1.512 -5.178 1.00 27.84 N ATOM 892 CA GLU A 97 21.255 0.132 -4.789 1.00 28.06 C ATOM 893 C GLU A 97 22.479 -0.444 -4.086 1.00 28.71 C ATOM 894 O GLU A 97 23.585 -0.381 -4.621 1.00 30.03 O ATOM 895 CB GLU A 97 20.917 -0.694 -6.028 1.00 27.94 C ATOM 896 CG GLU A 97 20.592 -2.159 -5.771 1.00 27.90 C ATOM 897 CD GLU A 97 20.005 -2.854 -6.988 1.00 27.72 C ATOM 898 OE1 GLU A 97 19.934 -2.233 -8.072 1.00 27.66 O ATOM 899 OE2 GLU A 97 19.617 -4.033 -6.858 1.00 27.55 O ATOM 900 H GLU A 97 21.524 1.747 -6.191 1.00 0.00 H ATOM 901 N SER A 98 22.271 -0.977 -2.883 1.00 28.68 N ATOM 902 CA SER A 98 23.333 -1.588 -2.090 1.00 28.65 C ATOM 903 C SER A 98 23.198 -3.109 -2.120 1.00 29.12 C ATOM 904 O SER A 98 22.341 -3.656 -2.818 1.00 27.95 O ATOM 905 CB SER A 98 23.280 -1.065 -0.648 1.00 28.31 C ATOM 906 OG SER A 98 22.214 -1.646 0.087 1.00 27.74 O ATOM 907 HG SER A 98 21.354 -1.429 -0.354 1.00 0.00 H ATOM 908 H SER A 98 21.308 -0.957 -2.491 1.00 0.00 H ATOM 909 N GLU A 99 24.066 -3.778 -1.368 1.00 30.98 N ATOM 910 CA GLU A 99 24.023 -5.233 -1.205 1.00 32.27 C ATOM 911 C GLU A 99 22.746 -5.677 -0.484 1.00 32.03 C ATOM 912 O GLU A 99 22.162 -6.699 -0.835 1.00 32.37 O ATOM 913 CB GLU A 99 25.271 -5.699 -0.436 1.00 33.66 C ATOM 914 CG GLU A 99 25.476 -7.204 -0.324 1.00 34.74 C ATOM 915 CD GLU A 99 26.075 -7.818 -1.577 1.00 35.58 C ATOM 916 OE1 GLU A 99 27.223 -8.313 -1.511 1.00 35.65 O ATOM 917 OE2 GLU A 99 25.400 -7.802 -2.627 1.00 36.44 O ATOM 918 H GLU A 99 24.809 -3.244 -0.873 1.00 0.00 H ATOM 919 N GLU A 100 22.318 -4.896 0.508 1.00 32.16 N ATOM 920 CA GLU A 100 21.160 -5.229 1.340 1.00 32.10 C ATOM 921 C GLU A 100 19.831 -4.650 0.831 1.00 30.72 C ATOM 922 O GLU A 100 18.791 -5.298 0.973 1.00 30.41 O ATOM 923 CB GLU A 100 21.416 -4.753 2.772 1.00 33.40 C ATOM 924 CG GLU A 100 20.458 -5.316 3.813 1.00 34.36 C ATOM 925 CD GLU A 100 20.710 -4.764 5.203 1.00 35.46 C ATOM 926 OE1 GLU A 100 21.768 -4.130 5.421 1.00 36.57 O ATOM 927 OE2 GLU A 100 19.845 -4.967 6.083 1.00 36.61 O ATOM 928 H GLU A 100 22.829 -4.011 0.699 1.00 0.00 H ATOM 929 N MET A 101 19.860 -3.441 0.263 1.00 29.19 N ATOM 930 CA MET A 101 18.633 -2.734 -0.142 1.00 28.23 C ATOM 931 C MET A 101 18.712 -2.172 -1.566 1.00 27.15 C ATOM 932 O MET A 101 19.741 -1.631 -1.966 1.00 26.39 O ATOM 933 CB MET A 101 18.331 -1.588 0.842 1.00 28.01 C ATOM 934 CG MET A 101 18.082 -2.022 2.285 1.00 27.75 C ATOM 935 SD MET A 101 16.498 -2.849 2.554 1.00 27.81 S ATOM 936 CE MET A 101 15.535 -1.536 3.303 1.00 27.72 C ATOM 937 H MET A 101 20.780 -2.984 0.101 1.00 0.00 H ATOM 938 N ARG A 102 17.617 -2.323 -2.318 1.00 26.66 N ATOM 939 CA ARG A 102 17.395 -1.624 -3.591 1.00 26.22 C ATOM 940 C ARG A 102 16.350 -0.520 -3.367 1.00 25.14 C ATOM 941 O ARG A 102 15.167 -0.826 -3.213 1.00 25.53 O ATOM 942 CB ARG A 102 16.905 -2.606 -4.666 1.00 26.79 C ATOM 943 CG ARG A 102 16.661 -1.974 -6.037 1.00 27.29 C ATOM 944 CD ARG A 102 16.299 -2.997 -7.109 1.00 27.55 C ATOM 945 NE ARG A 102 14.925 -3.501 -6.966 1.00 28.19 N ATOM 946 CZ ARG A 102 14.556 -4.755 -6.664 1.00 28.70 C ATOM 947 NH1 ARG A 102 13.257 -5.039 -6.574 1.00 29.08 N ATOM 948 NH2 ARG A 102 15.439 -5.739 -6.460 1.00 28.69 N ATOM 949 HE ARG A 102 14.159 -2.813 -7.115 1.00 0.00 H ATOM 950 HH12 ARG A 102 12.951 -6.005 -6.341 1.00 0.00 H ATOM 951 HH11 ARG A 102 12.549 -4.294 -6.737 1.00 0.00 H ATOM 952 HH22 ARG A 102 15.106 -6.697 -6.228 1.00 0.00 H ATOM 953 HH21 ARG A 102 16.458 -5.546 -6.533 1.00 0.00 H ATOM 954 H ARG A 102 16.879 -2.974 -1.982 1.00 0.00 H ATOM 955 N PRO A 103 16.775 0.763 -3.328 1.00 24.14 N ATOM 956 CA PRO A 103 15.794 1.843 -3.124 1.00 23.67 C ATOM 957 C PRO A 103 14.821 2.056 -4.290 1.00 22.93 C ATOM 958 O PRO A 103 15.157 1.751 -5.432 1.00 22.98 O ATOM 959 CB PRO A 103 16.673 3.089 -2.933 1.00 23.75 C ATOM 960 CG PRO A 103 17.999 2.566 -2.503 1.00 23.81 C ATOM 961 CD PRO A 103 18.157 1.272 -3.234 1.00 23.89 C ATOM 962 N GLN A 104 13.623 2.558 -3.984 1.00 22.46 N ATOM 963 CA GLN A 104 12.643 2.979 -5.003 1.00 22.01 C ATOM 964 C GLN A 104 11.681 4.029 -4.433 1.00 21.59 C ATOM 965 O GLN A 104 11.282 3.934 -3.270 1.00 21.60 O ATOM 966 CB GLN A 104 11.846 1.778 -5.536 1.00 22.02 C ATOM 967 CG GLN A 104 10.934 2.105 -6.717 1.00 22.10 C ATOM 968 CD GLN A 104 10.246 0.887 -7.305 1.00 22.13 C ATOM 969 OE1 GLN A 104 10.893 -0.103 -7.641 1.00 22.14 O ATOM 970 NE2 GLN A 104 8.925 0.963 -7.452 1.00 22.39 N ATOM 971 HE22 GLN A 104 8.417 1.820 -7.154 1.00 0.00 H ATOM 972 HE21 GLN A 104 8.401 0.165 -7.865 1.00 0.00 H ATOM 973 H GLN A 104 13.368 2.657 -2.981 1.00 0.00 H ATOM 974 N TRP A 105 11.315 5.016 -5.256 1.00 21.03 N ATOM 975 CA TRP A 105 10.352 6.057 -4.866 1.00 20.84 C ATOM 976 C TRP A 105 8.894 5.610 -5.067 1.00 20.85 C ATOM 977 O TRP A 105 8.549 5.002 -6.086 1.00 20.18 O ATOM 978 CB TRP A 105 10.585 7.351 -5.652 1.00 20.69 C ATOM 979 CG TRP A 105 11.846 8.077 -5.303 1.00 20.57 C ATOM 980 CD1 TRP A 105 12.994 8.127 -6.043 1.00 20.54 C ATOM 981 CD2 TRP A 105 12.084 8.879 -4.136 1.00 20.38 C ATOM 982 NE1 TRP A 105 13.934 8.904 -5.407 1.00 20.59 N ATOM 983 CE2 TRP A 105 13.404 9.376 -4.234 1.00 20.51 C ATOM 984 CE3 TRP A 105 11.313 9.222 -3.015 1.00 20.29 C ATOM 985 CZ2 TRP A 105 13.970 10.205 -3.254 1.00 20.36 C ATOM 986 CZ3 TRP A 105 11.873 10.046 -2.041 1.00 20.24 C ATOM 987 CH2 TRP A 105 13.193 10.523 -2.167 1.00 20.36 C ATOM 988 HE1 TRP A 105 14.892 9.102 -5.759 1.00 0.00 H ATOM 989 H TRP A 105 11.727 5.049 -6.210 1.00 0.00 H ATOM 990 N PHE A 106 8.054 5.932 -4.081 1.00 21.26 N ATOM 991 CA PHE A 106 6.608 5.698 -4.131 1.00 21.56 C ATOM 992 C PHE A 106 5.896 6.981 -3.733 1.00 22.02 C ATOM 993 O PHE A 106 6.268 7.597 -2.730 1.00 21.51 O ATOM 994 CB PHE A 106 6.206 4.599 -3.145 1.00 21.32 C ATOM 995 CG PHE A 106 6.760 3.251 -3.480 1.00 21.15 C ATOM 996 CD1 PHE A 106 8.044 2.895 -3.084 1.00 21.19 C ATOM 997 CD2 PHE A 106 6.001 2.331 -4.194 1.00 21.05 C ATOM 998 CE1 PHE A 106 8.562 1.647 -3.394 1.00 21.07 C ATOM 999 CE2 PHE A 106 6.515 1.083 -4.508 1.00 21.02 C ATOM 1000 CZ PHE A 106 7.796 0.740 -4.109 1.00 20.97 C ATOM 1001 H PHE A 106 8.449 6.375 -3.227 1.00 0.00 H ATOM 1002 N GLN A 107 4.878 7.383 -4.499 1.00 22.78 N ATOM 1003 CA GLN A 107 4.039 8.515 -4.096 1.00 23.52 C ATOM 1004 C GLN A 107 3.253 8.104 -2.847 1.00 23.38 C ATOM 1005 O GLN A 107 2.938 6.925 -2.666 1.00 23.42 O ATOM 1006 CB GLN A 107 3.110 8.991 -5.228 1.00 24.04 C ATOM 1007 CG GLN A 107 2.391 10.296 -4.885 1.00 24.81 C ATOM 1008 CD GLN A 107 1.938 11.131 -6.074 1.00 25.48 C ATOM 1009 OE1 GLN A 107 2.629 11.240 -7.088 1.00 26.24 O ATOM 1010 NE2 GLN A 107 0.786 11.775 -5.924 1.00 25.96 N ATOM 1011 HE22 GLN A 107 0.233 11.655 -5.051 1.00 0.00 H ATOM 1012 HE21 GLN A 107 0.437 12.399 -6.679 1.00 0.00 H ATOM 1013 H GLN A 107 4.679 6.887 -5.391 1.00 0.00 H ATOM 1014 N LEU A 108 2.965 9.070 -1.979 1.00 23.43 N ATOM 1015 CA LEU A 108 2.378 8.783 -0.664 1.00 23.63 C ATOM 1016 C LEU A 108 0.970 8.181 -0.700 1.00 23.90 C ATOM 1017 O LEU A 108 0.534 7.622 0.307 1.00 24.27 O ATOM 1018 CB LEU A 108 2.389 10.036 0.225 1.00 23.55 C ATOM 1019 CG LEU A 108 3.767 10.594 0.603 1.00 23.45 C ATOM 1020 CD1 LEU A 108 3.617 11.939 1.296 1.00 23.45 C ATOM 1021 CD2 LEU A 108 4.554 9.623 1.472 1.00 23.49 C ATOM 1022 H LEU A 108 3.161 10.058 -2.239 1.00 0.00 H ATOM 1023 N ASP A 109 0.274 8.287 -1.839 1.00 24.33 N ATOM 1024 CA ASP A 109 -0.987 7.556 -2.072 1.00 24.74 C ATOM 1025 C ASP A 109 -0.817 6.223 -2.837 1.00 24.78 C ATOM 1026 O ASP A 109 -1.805 5.662 -3.311 1.00 26.17 O ATOM 1027 CB ASP A 109 -2.029 8.467 -2.766 1.00 25.11 C ATOM 1028 CG ASP A 109 -1.740 8.713 -4.253 1.00 25.51 C ATOM 1029 OD1 ASP A 109 -0.558 8.731 -4.660 1.00 25.78 O ATOM 1030 OD2 ASP A 109 -2.713 8.908 -5.017 1.00 25.89 O ATOM 1031 H ASP A 109 0.636 8.909 -2.589 1.00 0.00 H ATOM 1032 N GLN A 110 0.416 5.716 -2.944 1.00 24.12 N ATOM 1033 CA GLN A 110 0.716 4.489 -3.700 1.00 23.61 C ATOM 1034 C GLN A 110 1.720 3.590 -2.952 1.00 22.95 C ATOM 1035 O GLN A 110 2.531 2.894 -3.562 1.00 22.47 O ATOM 1036 CB GLN A 110 1.247 4.858 -5.095 1.00 23.61 C ATOM 1037 CG GLN A 110 0.208 5.499 -6.004 1.00 23.76 C ATOM 1038 CD GLN A 110 0.768 5.987 -7.329 1.00 23.69 C ATOM 1039 OE1 GLN A 110 1.957 5.843 -7.620 1.00 23.64 O ATOM 1040 NE2 GLN A 110 -0.096 6.580 -8.141 1.00 23.60 N ATOM 1041 HE22 GLN A 110 -1.091 6.681 -7.857 1.00 0.00 H ATOM 1042 HE21 GLN A 110 0.222 6.944 -9.062 1.00 0.00 H ATOM 1043 H GLN A 110 1.199 6.211 -2.471 1.00 0.00 H ATOM 1044 N ILE A 111 1.625 3.584 -1.626 1.00 22.63 N ATOM 1045 CA ILE A 111 2.576 2.872 -0.772 1.00 22.38 C ATOM 1046 C ILE A 111 2.184 1.387 -0.771 1.00 22.04 C ATOM 1047 O ILE A 111 1.014 1.069 -0.533 1.00 21.91 O ATOM 1048 CB ILE A 111 2.574 3.456 0.663 1.00 22.37 C ATOM 1049 CG1 ILE A 111 2.972 4.942 0.640 1.00 22.38 C ATOM 1050 CG2 ILE A 111 3.524 2.688 1.571 1.00 22.46 C ATOM 1051 CD1 ILE A 111 2.620 5.701 1.903 1.00 22.44 C ATOM 1052 H ILE A 111 0.844 4.106 -1.178 1.00 0.00 H ATOM 1053 N PRO A 112 3.148 0.473 -1.030 1.00 21.57 N ATOM 1054 CA PRO A 112 2.800 -0.935 -1.208 1.00 21.56 C ATOM 1055 C PRO A 112 2.721 -1.683 0.125 1.00 21.49 C ATOM 1056 O PRO A 112 3.531 -2.575 0.395 1.00 21.23 O ATOM 1057 CB PRO A 112 3.948 -1.448 -2.079 1.00 21.52 C ATOM 1058 CG PRO A 112 5.126 -0.680 -1.582 1.00 21.43 C ATOM 1059 CD PRO A 112 4.611 0.662 -1.120 1.00 21.44 C ATOM 1060 N PHE A 113 1.727 -1.327 0.936 1.00 21.65 N ATOM 1061 CA PHE A 113 1.546 -1.907 2.275 1.00 21.99 C ATOM 1062 C PHE A 113 1.416 -3.431 2.255 1.00 22.29 C ATOM 1063 O PHE A 113 1.860 -4.098 3.189 1.00 22.39 O ATOM 1064 CB PHE A 113 0.332 -1.286 2.974 1.00 21.99 C ATOM 1065 CG PHE A 113 0.533 0.150 3.379 1.00 21.87 C ATOM 1066 CD1 PHE A 113 1.393 0.471 4.422 1.00 21.83 C ATOM 1067 CD2 PHE A 113 -0.136 1.182 2.724 1.00 21.85 C ATOM 1068 CE1 PHE A 113 1.589 1.790 4.801 1.00 21.89 C ATOM 1069 CE2 PHE A 113 0.052 2.506 3.103 1.00 21.81 C ATOM 1070 CZ PHE A 113 0.919 2.812 4.142 1.00 21.82 C ATOM 1071 H PHE A 113 1.050 -0.608 0.609 1.00 0.00 H ATOM 1072 N ALA A 114 0.828 -3.963 1.180 1.00 22.74 N ATOM 1073 CA ALA A 114 0.705 -5.410 0.949 1.00 22.91 C ATOM 1074 C ALA A 114 2.033 -6.179 0.901 1.00 23.10 C ATOM 1075 O ALA A 114 2.059 -7.369 1.219 1.00 23.45 O ATOM 1076 CB ALA A 114 -0.074 -5.662 -0.336 1.00 22.91 C ATOM 1077 H ALA A 114 0.435 -3.317 0.466 1.00 0.00 H ATOM 1078 N ASP A 115 3.114 -5.517 0.482 1.00 23.33 N ATOM 1079 CA ASP A 115 4.453 -6.131 0.431 1.00 23.49 C ATOM 1080 C ASP A 115 5.453 -5.437 1.388 1.00 23.08 C ATOM 1081 O ASP A 115 6.663 -5.420 1.141 1.00 23.00 O ATOM 1082 CB ASP A 115 4.962 -6.132 -1.022 1.00 23.84 C ATOM 1083 CG ASP A 115 6.173 -7.047 -1.238 1.00 24.56 C ATOM 1084 OD1 ASP A 115 6.232 -8.161 -0.664 1.00 24.50 O ATOM 1085 OD2 ASP A 115 7.078 -6.641 -2.001 1.00 25.61 O ATOM 1086 H ASP A 115 3.007 -4.528 0.179 1.00 0.00 H ATOM 1087 N MET A 116 4.931 -4.878 2.482 1.00 22.56 N ATOM 1088 CA MET A 116 5.738 -4.352 3.586 1.00 21.98 C ATOM 1089 C MET A 116 5.380 -5.170 4.823 1.00 22.00 C ATOM 1090 O MET A 116 4.525 -6.054 4.758 1.00 21.71 O ATOM 1091 CB MET A 116 5.439 -2.866 3.806 1.00 21.63 C ATOM 1092 CG MET A 116 5.886 -1.975 2.656 1.00 21.52 C ATOM 1093 SD MET A 116 5.026 -0.396 2.545 1.00 21.35 S ATOM 1094 CE MET A 116 5.859 0.573 3.796 1.00 21.34 C ATOM 1095 H MET A 116 3.896 -4.812 2.555 1.00 0.00 H ATOM 1096 N TRP A 117 6.036 -4.883 5.947 1.00 22.29 N ATOM 1097 CA TRP A 117 5.687 -5.520 7.217 1.00 22.09 C ATOM 1098 C TRP A 117 4.257 -5.124 7.604 1.00 22.18 C ATOM 1099 O TRP A 117 3.861 -3.976 7.370 1.00 22.20 O ATOM 1100 CB TRP A 117 6.656 -5.124 8.335 1.00 22.06 C ATOM 1101 CG TRP A 117 7.983 -5.778 8.250 1.00 21.93 C ATOM 1102 CD1 TRP A 117 9.154 -5.206 7.866 1.00 22.19 C ATOM 1103 CD2 TRP A 117 8.284 -7.139 8.563 1.00 22.24 C ATOM 1104 NE1 TRP A 117 10.175 -6.124 7.918 1.00 22.15 N ATOM 1105 CE2 TRP A 117 9.667 -7.321 8.345 1.00 22.32 C ATOM 1106 CE3 TRP A 117 7.520 -8.227 9.013 1.00 22.40 C ATOM 1107 CZ2 TRP A 117 10.307 -8.550 8.559 1.00 22.49 C ATOM 1108 CZ3 TRP A 117 8.156 -9.451 9.226 1.00 22.49 C ATOM 1109 CH2 TRP A 117 9.537 -9.598 9.001 1.00 22.51 C ATOM 1110 HE1 TRP A 117 11.169 -5.940 7.673 1.00 0.00 H ATOM 1111 H TRP A 117 6.812 -4.192 5.921 1.00 0.00 H ATOM 1112 N PRO A 118 3.480 -6.064 8.192 1.00 22.05 N ATOM 1113 CA PRO A 118 2.057 -5.803 8.476 1.00 21.96 C ATOM 1114 C PRO A 118 1.795 -4.608 9.405 1.00 22.03 C ATOM 1115 O PRO A 118 0.806 -3.894 9.220 1.00 21.55 O ATOM 1116 CB PRO A 118 1.580 -7.107 9.135 1.00 21.95 C ATOM 1117 CG PRO A 118 2.605 -8.126 8.796 1.00 22.06 C ATOM 1118 CD PRO A 118 3.894 -7.380 8.712 1.00 22.01 C ATOM 1119 N ASP A 119 2.675 -4.413 10.390 1.00 22.26 N ATOM 1120 CA ASP A 119 2.598 -3.273 11.322 1.00 22.49 C ATOM 1121 C ASP A 119 2.644 -1.892 10.648 1.00 22.56 C ATOM 1122 O ASP A 119 2.056 -0.943 11.166 1.00 21.98 O ATOM 1123 CB ASP A 119 3.696 -3.362 12.395 1.00 22.57 C ATOM 1124 CG ASP A 119 5.095 -3.392 11.806 1.00 22.79 C ATOM 1125 OD1 ASP A 119 5.565 -4.492 11.449 1.00 22.62 O ATOM 1126 OD2 ASP A 119 5.725 -2.321 11.713 1.00 23.05 O ATOM 1127 H ASP A 119 3.450 -5.097 10.505 1.00 0.00 H ATOM 1128 N ASP A 120 3.325 -1.788 9.503 1.00 23.07 N ATOM 1129 CA ASP A 120 3.430 -0.515 8.753 1.00 23.32 C ATOM 1130 C ASP A 120 2.067 0.095 8.404 1.00 23.28 C ATOM 1131 O ASP A 120 1.892 1.307 8.495 1.00 23.28 O ATOM 1132 CB ASP A 120 4.251 -0.689 7.465 1.00 23.39 C ATOM 1133 CG ASP A 120 5.704 -1.063 7.734 1.00 23.57 C ATOM 1134 OD1 ASP A 120 5.985 -1.627 8.814 1.00 23.26 O ATOM 1135 OD2 ASP A 120 6.559 -0.803 6.855 1.00 23.47 O ATOM 1136 H ASP A 120 3.799 -2.633 9.124 1.00 0.00 H ATOM 1137 N SER A 121 1.107 -0.747 8.021 1.00 23.05 N ATOM 1138 CA SER A 121 -0.259 -0.290 7.732 1.00 23.00 C ATOM 1139 C SER A 121 -0.890 0.473 8.900 1.00 22.92 C ATOM 1140 O SER A 121 -1.676 1.396 8.679 1.00 23.00 O ATOM 1141 CB SER A 121 -1.150 -1.470 7.346 1.00 23.02 C ATOM 1142 OG SER A 121 -0.697 -2.070 6.146 1.00 23.08 O ATOM 1143 HG SER A 121 0.229 -2.396 6.271 1.00 0.00 H ATOM 1144 H SER A 121 1.332 -1.758 7.924 1.00 0.00 H ATOM 1145 N TYR A 122 -0.531 0.089 10.128 1.00 22.66 N ATOM 1146 CA TYR A 122 -1.031 0.736 11.344 1.00 22.32 C ATOM 1147 C TYR A 122 -0.302 2.042 11.695 1.00 22.18 C ATOM 1148 O TYR A 122 -0.959 3.032 12.013 1.00 21.88 O ATOM 1149 CB TYR A 122 -0.973 -0.232 12.532 1.00 22.35 C ATOM 1150 CG TYR A 122 -1.831 -1.464 12.358 1.00 22.65 C ATOM 1151 CD1 TYR A 122 -3.166 -1.477 12.770 1.00 22.73 C ATOM 1152 CD2 TYR A 122 -1.312 -2.625 11.781 1.00 22.80 C ATOM 1153 CE1 TYR A 122 -3.956 -2.608 12.608 1.00 22.67 C ATOM 1154 CE2 TYR A 122 -2.093 -3.759 11.616 1.00 22.74 C ATOM 1155 CZ TYR A 122 -3.414 -3.747 12.029 1.00 22.82 C ATOM 1156 OH TYR A 122 -4.185 -4.874 11.864 1.00 22.87 O ATOM 1157 HH TYR A 122 -5.097 -4.702 12.208 1.00 0.00 H ATOM 1158 H TYR A 122 0.133 -0.705 10.225 1.00 0.00 H ATOM 1159 N TRP A 123 1.034 2.059 11.641 1.00 22.03 N ATOM 1160 CA TRP A 123 1.794 3.249 12.091 1.00 22.11 C ATOM 1161 C TRP A 123 2.164 4.279 11.013 1.00 22.40 C ATOM 1162 O TRP A 123 2.485 5.418 11.359 1.00 22.23 O ATOM 1163 CB TRP A 123 3.028 2.872 12.942 1.00 21.67 C ATOM 1164 CG TRP A 123 4.092 2.041 12.285 1.00 21.10 C ATOM 1165 CD1 TRP A 123 4.276 0.697 12.423 1.00 20.90 C ATOM 1166 CD2 TRP A 123 5.146 2.503 11.434 1.00 20.81 C ATOM 1167 NE1 TRP A 123 5.361 0.288 11.695 1.00 20.68 N ATOM 1168 CE2 TRP A 123 5.916 1.377 11.077 1.00 20.81 C ATOM 1169 CE3 TRP A 123 5.508 3.759 10.925 1.00 20.73 C ATOM 1170 CZ2 TRP A 123 7.027 1.465 10.230 1.00 20.80 C ATOM 1171 CZ3 TRP A 123 6.612 3.848 10.085 1.00 20.63 C ATOM 1172 CH2 TRP A 123 7.358 2.705 9.746 1.00 20.80 C ATOM 1173 HE1 TRP A 123 5.707 -0.690 11.623 1.00 0.00 H ATOM 1174 H TRP A 123 1.545 1.228 11.279 1.00 0.00 H ATOM 1175 N PHE A 124 2.112 3.907 9.734 1.00 23.17 N ATOM 1176 CA PHE A 124 2.414 4.862 8.647 1.00 24.00 C ATOM 1177 C PHE A 124 1.499 6.087 8.611 1.00 24.33 C ATOM 1178 O PHE A 124 1.985 7.192 8.407 1.00 24.84 O ATOM 1179 CB PHE A 124 2.414 4.199 7.258 1.00 24.37 C ATOM 1180 CG PHE A 124 3.764 4.173 6.598 1.00 24.45 C ATOM 1181 CD1 PHE A 124 4.655 3.133 6.840 1.00 24.62 C ATOM 1182 CD2 PHE A 124 4.146 5.196 5.731 1.00 24.67 C ATOM 1183 CE1 PHE A 124 5.902 3.110 6.229 1.00 24.48 C ATOM 1184 CE2 PHE A 124 5.391 5.182 5.120 1.00 24.69 C ATOM 1185 CZ PHE A 124 6.268 4.135 5.367 1.00 24.80 C ATOM 1186 H PHE A 124 1.854 2.928 9.497 1.00 0.00 H ATOM 1187 N PRO A 125 0.179 5.898 8.789 1.00 25.12 N ATOM 1188 CA PRO A 125 -0.714 7.060 8.843 1.00 25.57 C ATOM 1189 C PRO A 125 -0.306 8.109 9.885 1.00 26.11 C ATOM 1190 O PRO A 125 -0.403 9.305 9.615 1.00 26.18 O ATOM 1191 CB PRO A 125 -2.068 6.437 9.193 1.00 25.38 C ATOM 1192 CG PRO A 125 -2.002 5.077 8.601 1.00 25.26 C ATOM 1193 CD PRO A 125 -0.582 4.633 8.808 1.00 25.37 C ATOM 1194 N LEU A 126 0.171 7.658 11.044 1.00 27.03 N ATOM 1195 CA LEU A 126 0.658 8.563 12.094 1.00 27.95 C ATOM 1196 C LEU A 126 1.897 9.349 11.644 1.00 28.33 C ATOM 1197 O LEU A 126 2.011 10.544 11.930 1.00 28.47 O ATOM 1198 CB LEU A 126 0.955 7.791 13.392 1.00 28.16 C ATOM 1199 CG LEU A 126 -0.215 7.017 14.022 1.00 28.47 C ATOM 1200 CD1 LEU A 126 0.227 6.254 15.263 1.00 28.23 C ATOM 1201 CD2 LEU A 126 -1.378 7.948 14.355 1.00 28.80 C ATOM 1202 H LEU A 126 0.200 6.632 11.211 1.00 0.00 H ATOM 1203 N LEU A 127 2.805 8.679 10.933 1.00 28.55 N ATOM 1204 CA LEU A 127 3.988 9.330 10.360 1.00 28.45 C ATOM 1205 C LEU A 127 3.628 10.405 9.339 1.00 28.22 C ATOM 1206 O LEU A 127 4.196 11.494 9.371 1.00 28.36 O ATOM 1207 CB LEU A 127 4.909 8.300 9.700 1.00 28.52 C ATOM 1208 CG LEU A 127 6.194 8.818 9.039 1.00 28.64 C ATOM 1209 CD1 LEU A 127 7.106 9.469 10.070 1.00 28.70 C ATOM 1210 CD2 LEU A 127 6.894 7.680 8.312 1.00 28.51 C ATOM 1211 H LEU A 127 2.670 7.659 10.779 1.00 0.00 H ATOM 1212 N LEU A 128 2.694 10.098 8.443 1.00 28.36 N ATOM 1213 CA LEU A 128 2.318 11.027 7.367 1.00 28.92 C ATOM 1214 C LEU A 128 1.490 12.231 7.848 1.00 29.52 C ATOM 1215 O LEU A 128 1.414 13.241 7.147 1.00 29.84 O ATOM 1216 CB LEU A 128 1.578 10.287 6.247 1.00 28.76 C ATOM 1217 CG LEU A 128 2.303 9.101 5.598 1.00 28.42 C ATOM 1218 CD1 LEU A 128 1.451 8.533 4.475 1.00 28.37 C ATOM 1219 CD2 LEU A 128 3.690 9.481 5.093 1.00 28.33 C ATOM 1220 H LEU A 128 2.217 9.176 8.505 1.00 0.00 H ATOM 1221 N GLN A 129 0.882 12.119 9.032 1.00 30.10 N ATOM 1222 CA GLN A 129 0.217 13.248 9.701 1.00 30.90 C ATOM 1223 C GLN A 129 1.151 14.062 10.617 1.00 31.77 C ATOM 1224 O GLN A 129 0.695 14.996 11.277 1.00 31.88 O ATOM 1225 CB GLN A 129 -0.979 12.744 10.517 1.00 31.08 C ATOM 1226 CG GLN A 129 -2.089 12.122 9.685 1.00 31.17 C ATOM 1227 CD GLN A 129 -3.061 11.304 10.517 1.00 31.83 C ATOM 1228 OE1 GLN A 129 -3.270 11.576 11.702 1.00 32.20 O ATOM 1229 NE2 GLN A 129 -3.664 10.294 9.896 1.00 32.23 N ATOM 1230 HE22 GLN A 129 -3.457 10.101 8.895 1.00 0.00 H ATOM 1231 HE21 GLN A 129 -4.342 9.697 10.411 1.00 0.00 H ATOM 1232 H GLN A 129 0.879 11.191 9.502 1.00 0.00 H ATOM 1233 N LYS A 130 2.441 13.714 10.650 1.00 33.22 N ATOM 1234 CA LYS A 130 3.457 14.378 11.487 1.00 34.16 C ATOM 1235 C LYS A 130 3.199 14.219 12.993 1.00 34.36 C ATOM 1236 O LYS A 130 3.480 15.123 13.789 1.00 35.09 O ATOM 1237 CB LYS A 130 3.626 15.861 11.101 1.00 34.83 C ATOM 1238 CG LYS A 130 3.678 16.146 9.600 1.00 36.01 C ATOM 1239 CD LYS A 130 4.782 15.379 8.874 1.00 36.88 C ATOM 1240 CE LYS A 130 4.606 15.430 7.361 1.00 37.42 C ATOM 1241 NZ LYS A 130 4.716 16.813 6.820 1.00 37.89 N ATOM 1242 HZ1 LYS A 130 3.981 17.411 7.249 1.00 0.00 H ATOM 1243 HZ2 LYS A 130 5.655 17.199 7.047 1.00 0.00 H ATOM 1244 HZ3 LYS A 130 4.589 16.791 5.788 1.00 0.00 H ATOM 1245 H LYS A 130 2.748 12.924 10.047 1.00 0.00 H ATOM 1246 N LYS A 131 2.689 13.050 13.371 1.00 33.64 N ATOM 1247 CA LYS A 131 2.448 12.719 14.769 1.00 33.96 C ATOM 1248 C LYS A 131 3.558 11.807 15.265 1.00 33.62 C ATOM 1249 O LYS A 131 3.979 10.890 14.559 1.00 34.35 O ATOM 1250 CB LYS A 131 1.096 12.023 14.934 1.00 34.23 C ATOM 1251 CG LYS A 131 -0.099 12.952 14.802 1.00 34.52 C ATOM 1252 CD LYS A 131 -1.365 12.179 14.464 1.00 34.90 C ATOM 1253 CE LYS A 131 -2.632 12.909 14.887 1.00 35.14 C ATOM 1254 NZ LYS A 131 -2.667 14.341 14.475 1.00 35.45 N ATOM 1255 HZ1 LYS A 131 -1.863 14.843 14.903 1.00 0.00 H ATOM 1256 HZ2 LYS A 131 -2.605 14.404 13.439 1.00 0.00 H ATOM 1257 HZ3 LYS A 131 -3.557 14.771 14.797 1.00 0.00 H ATOM 1258 H LYS A 131 2.454 12.347 12.642 1.00 0.00 H ATOM 1259 N LYS A 132 4.033 12.071 16.477 1.00 32.98 N ATOM 1260 CA LYS A 132 4.965 11.181 17.156 1.00 32.88 C ATOM 1261 C LYS A 132 4.134 10.067 17.789 1.00 32.41 C ATOM 1262 O LYS A 132 3.047 10.333 18.305 1.00 32.91 O ATOM 1263 CB LYS A 132 5.772 11.950 18.202 1.00 32.98 C ATOM 1264 CG LYS A 132 6.592 13.085 17.607 1.00 33.44 C ATOM 1265 CD LYS A 132 7.159 14.009 18.670 1.00 34.14 C ATOM 1266 CE LYS A 132 7.944 15.144 18.028 1.00 34.65 C ATOM 1267 NZ LYS A 132 8.782 15.884 19.010 1.00 34.88 N ATOM 1268 HZ1 LYS A 132 8.172 16.292 19.746 1.00 0.00 H ATOM 1269 HZ2 LYS A 132 9.463 15.230 19.446 1.00 0.00 H ATOM 1270 HZ3 LYS A 132 9.295 16.645 18.522 1.00 0.00 H ATOM 1271 H LYS A 132 3.729 12.942 16.957 1.00 0.00 H ATOM 1272 N PHE A 133 4.623 8.826 17.725 1.00 31.33 N ATOM 1273 CA PHE A 133 3.857 7.667 18.212 1.00 30.56 C ATOM 1274 C PHE A 133 4.696 6.655 18.989 1.00 29.95 C ATOM 1275 O PHE A 133 5.917 6.602 18.850 1.00 29.85 O ATOM 1276 CB PHE A 133 3.107 6.979 17.060 1.00 30.26 C ATOM 1277 CG PHE A 133 3.984 6.577 15.907 1.00 29.95 C ATOM 1278 CD1 PHE A 133 4.641 5.350 15.911 1.00 29.70 C ATOM 1279 CD2 PHE A 133 4.145 7.418 14.812 1.00 29.65 C ATOM 1280 CE1 PHE A 133 5.449 4.972 14.850 1.00 29.52 C ATOM 1281 CE2 PHE A 133 4.950 7.046 13.746 1.00 29.82 C ATOM 1282 CZ PHE A 133 5.603 5.821 13.764 1.00 29.73 C ATOM 1283 H PHE A 133 5.569 8.674 17.321 1.00 0.00 H ATOM 1284 N CYS A 134 4.012 5.871 19.821 1.00 29.58 N ATOM 1285 CA CYS A 134 4.645 4.869 20.684 1.00 29.76 C ATOM 1286 C CYS A 134 3.753 3.629 20.769 1.00 28.52 C ATOM 1287 O CYS A 134 2.537 3.748 20.927 1.00 27.92 O ATOM 1288 CB CYS A 134 4.891 5.449 22.079 1.00 30.42 C ATOM 1289 SG CYS A 134 5.779 4.342 23.200 1.00 32.42 S ATOM 1290 H CYS A 134 2.978 5.975 19.860 1.00 0.00 H ATOM 1291 N GLY A 135 4.352 2.446 20.656 1.00 27.69 N ATOM 1292 CA GLY A 135 3.571 1.214 20.564 1.00 27.31 C ATOM 1293 C GLY A 135 4.311 -0.093 20.768 1.00 26.56 C ATOM 1294 O GLY A 135 5.541 -0.139 20.739 1.00 25.92 O ATOM 1295 H GLY A 135 5.391 2.397 20.633 1.00 0.00 H ATOM 1296 N HIS A 136 3.547 -1.156 21.012 1.00 26.44 N ATOM 1297 CA HIS A 136 4.083 -2.513 21.121 1.00 26.54 C ATOM 1298 C HIS A 136 3.298 -3.419 20.182 1.00 26.60 C ATOM 1299 O HIS A 136 2.084 -3.274 20.055 1.00 26.71 O ATOM 1300 CB HIS A 136 3.992 -3.029 22.562 1.00 26.36 C ATOM 1301 CG HIS A 136 4.474 -4.439 22.732 1.00 26.45 C ATOM 1302 ND1 HIS A 136 3.623 -5.523 22.723 1.00 26.28 N ATOM 1303 CD2 HIS A 136 5.719 -4.942 22.912 1.00 26.33 C ATOM 1304 CE1 HIS A 136 4.321 -6.631 22.891 1.00 26.22 C ATOM 1305 NE2 HIS A 136 5.596 -6.307 23.006 1.00 26.22 N ATOM 1306 H HIS A 136 2.523 -1.015 21.130 1.00 0.00 H ATOM 1307 N PHE A 137 3.999 -4.341 19.526 1.00 26.69 N ATOM 1308 CA PHE A 137 3.386 -5.302 18.582 1.00 27.06 C ATOM 1309 C PHE A 137 3.840 -6.728 18.903 1.00 27.05 C ATOM 1310 O PHE A 137 5.042 -7.010 18.908 1.00 26.86 O ATOM 1311 CB PHE A 137 3.772 -4.958 17.139 1.00 27.11 C ATOM 1312 CG PHE A 137 2.983 -3.824 16.540 1.00 27.23 C ATOM 1313 CD1 PHE A 137 3.300 -2.502 16.841 1.00 27.31 C ATOM 1314 CD2 PHE A 137 1.932 -4.074 15.657 1.00 27.18 C ATOM 1315 CE1 PHE A 137 2.578 -1.452 16.285 1.00 27.23 C ATOM 1316 CE2 PHE A 137 1.205 -3.029 15.102 1.00 27.07 C ATOM 1317 CZ PHE A 137 1.530 -1.715 15.414 1.00 27.04 C ATOM 1318 H PHE A 137 5.026 -4.388 19.684 1.00 0.00 H ATOM 1319 N LYS A 138 2.881 -7.615 19.173 1.00 27.03 N ATOM 1320 CA LYS A 138 3.160 -9.035 19.401 1.00 27.06 C ATOM 1321 C LYS A 138 2.791 -9.822 18.149 1.00 26.32 C ATOM 1322 O LYS A 138 1.621 -9.889 17.776 1.00 25.78 O ATOM 1323 CB LYS A 138 2.374 -9.552 20.604 1.00 27.67 C ATOM 1324 CG LYS A 138 2.764 -10.953 21.054 1.00 28.15 C ATOM 1325 CD LYS A 138 2.234 -11.261 22.445 1.00 28.57 C ATOM 1326 CE LYS A 138 2.844 -12.533 23.008 1.00 29.43 C ATOM 1327 NZ LYS A 138 2.495 -12.737 24.444 1.00 30.01 N ATOM 1328 HZ1 LYS A 138 2.848 -11.934 25.003 1.00 0.00 H ATOM 1329 HZ2 LYS A 138 1.462 -12.802 24.542 1.00 0.00 H ATOM 1330 HZ3 LYS A 138 2.933 -13.617 24.784 1.00 0.00 H ATOM 1331 H LYS A 138 1.896 -7.285 19.224 1.00 0.00 H ATOM 1332 N PHE A 139 3.796 -10.414 17.511 1.00 26.26 N ATOM 1333 CA PHE A 139 3.614 -11.162 16.268 1.00 26.61 C ATOM 1334 C PHE A 139 3.507 -12.666 16.545 1.00 27.63 C ATOM 1335 O PHE A 139 4.321 -13.225 17.276 1.00 28.00 O ATOM 1336 CB PHE A 139 4.773 -10.873 15.306 1.00 26.14 C ATOM 1337 CG PHE A 139 4.599 -9.611 14.498 1.00 25.99 C ATOM 1338 CD1 PHE A 139 4.784 -8.357 15.075 1.00 25.85 C ATOM 1339 CD2 PHE A 139 4.263 -9.672 13.145 1.00 25.88 C ATOM 1340 CE1 PHE A 139 4.627 -7.199 14.316 1.00 25.91 C ATOM 1341 CE2 PHE A 139 4.110 -8.520 12.391 1.00 25.58 C ATOM 1342 CZ PHE A 139 4.292 -7.281 12.976 1.00 25.48 C ATOM 1343 H PHE A 139 4.752 -10.342 17.913 1.00 0.00 H ATOM 1344 N GLN A 140 2.487 -13.306 15.974 1.00 29.12 N ATOM 1345 CA GLN A 140 2.348 -14.767 16.004 1.00 30.40 C ATOM 1346 C GLN A 140 3.406 -15.375 15.089 1.00 31.66 C ATOM 1347 O GLN A 140 4.143 -16.284 15.482 1.00 32.26 O ATOM 1348 CB GLN A 140 0.936 -15.179 15.550 1.00 30.84 C ATOM 1349 CG GLN A 140 0.665 -16.677 15.470 1.00 31.07 C ATOM 1350 CD GLN A 140 0.800 -17.378 16.809 1.00 31.67 C ATOM 1351 OE1 GLN A 140 -0.048 -17.229 17.691 1.00 31.54 O ATOM 1352 NE2 GLN A 140 1.867 -18.160 16.964 1.00 32.17 N ATOM 1353 HE22 GLN A 140 2.558 -18.256 16.192 1.00 0.00 H ATOM 1354 HE21 GLN A 140 2.010 -18.674 17.857 1.00 0.00 H ATOM 1355 H GLN A 140 1.758 -12.746 15.486 1.00 0.00 H ATOM 1356 N ASP A 141 3.447 -14.866 13.860 1.00 32.82 N ATOM 1357 CA ASP A 141 4.488 -15.189 12.887 1.00 33.54 C ATOM 1358 C ASP A 141 4.802 -13.910 12.083 1.00 33.85 C ATOM 1359 O ASP A 141 4.445 -12.824 12.521 1.00 34.03 O ATOM 1360 CB ASP A 141 4.052 -16.388 12.020 1.00 33.71 C ATOM 1361 CG ASP A 141 2.775 -16.125 11.222 1.00 34.01 C ATOM 1362 OD1 ASP A 141 2.576 -15.002 10.715 1.00 34.00 O ATOM 1363 OD2 ASP A 141 1.966 -17.068 11.088 1.00 34.97 O ATOM 1364 H ASP A 141 2.698 -14.203 13.577 1.00 0.00 H ATOM 1365 N GLN A 142 5.418 -14.031 10.910 1.00 34.05 N ATOM 1366 CA GLN A 142 5.969 -12.875 10.196 1.00 34.45 C ATOM 1367 C GLN A 142 4.911 -12.102 9.409 1.00 34.33 C ATOM 1368 O GLN A 142 5.143 -10.946 9.039 1.00 33.96 O ATOM 1369 CB GLN A 142 7.094 -13.305 9.248 1.00 35.47 C ATOM 1370 CG GLN A 142 8.323 -13.880 9.944 1.00 36.04 C ATOM 1371 CD GLN A 142 8.115 -15.292 10.471 1.00 36.69 C ATOM 1372 OE1 GLN A 142 8.413 -15.585 11.632 1.00 37.30 O ATOM 1373 NE2 GLN A 142 7.607 -16.177 9.617 1.00 36.74 N ATOM 1374 HE22 GLN A 142 7.370 -15.887 8.647 1.00 0.00 H ATOM 1375 HE21 GLN A 142 7.447 -17.159 9.920 1.00 0.00 H ATOM 1376 H GLN A 142 5.512 -14.976 10.486 1.00 0.00 H ATOM 1377 N ASP A 143 3.770 -12.744 9.144 1.00 34.09 N ATOM 1378 CA ASP A 143 2.644 -12.126 8.435 1.00 34.08 C ATOM 1379 C ASP A 143 1.417 -11.888 9.322 1.00 33.25 C ATOM 1380 O ASP A 143 0.421 -11.336 8.846 1.00 33.92 O ATOM 1381 CB ASP A 143 2.235 -13.015 7.256 1.00 34.79 C ATOM 1382 CG ASP A 143 3.405 -13.372 6.368 1.00 35.52 C ATOM 1383 OD1 ASP A 143 3.731 -12.570 5.466 1.00 36.20 O ATOM 1384 OD2 ASP A 143 3.998 -14.453 6.577 1.00 36.03 O ATOM 1385 H ASP A 143 3.675 -13.732 9.456 1.00 0.00 H ATOM 1386 N THR A 144 1.490 -12.281 10.597 1.00 32.23 N ATOM 1387 CA THR A 144 0.331 -12.287 11.499 1.00 30.90 C ATOM 1388 C THR A 144 0.637 -11.532 12.792 1.00 30.03 C ATOM 1389 O THR A 144 1.525 -11.925 13.551 1.00 30.41 O ATOM 1390 CB THR A 144 -0.085 -13.730 11.857 1.00 30.53 C ATOM 1391 OG1 THR A 144 -0.138 -14.524 10.667 1.00 30.21 O ATOM 1392 CG2 THR A 144 -1.449 -13.758 12.553 1.00 30.17 C ATOM 1393 HG1 THR A 144 0.755 -14.535 10.239 1.00 0.00 H ATOM 1394 H THR A 144 2.409 -12.597 10.967 1.00 0.00 H ATOM 1395 N ILE A 145 -0.096 -10.447 13.031 1.00 29.00 N ATOM 1396 CA ILE A 145 -0.048 -9.739 14.307 1.00 28.40 C ATOM 1397 C ILE A 145 -1.029 -10.434 15.245 1.00 28.26 C ATOM 1398 O ILE A 145 -2.218 -10.512 14.940 1.00 27.96 O ATOM 1399 CB ILE A 145 -0.446 -8.255 14.157 1.00 27.91 C ATOM 1400 CG1 ILE A 145 0.518 -7.537 13.202 1.00 27.90 C ATOM 1401 CG2 ILE A 145 -0.473 -7.564 15.520 1.00 27.95 C ATOM 1402 CD1 ILE A 145 0.061 -6.158 12.776 1.00 27.93 C ATOM 1403 H ILE A 145 -0.725 -10.091 12.283 1.00 0.00 H ATOM 1404 N LEU A 146 -0.540 -10.939 16.377 1.00 28.44 N ATOM 1405 CA LEU A 146 -1.426 -11.496 17.401 1.00 28.96 C ATOM 1406 C LEU A 146 -2.139 -10.340 18.092 1.00 28.94 C ATOM 1407 O LEU A 146 -3.358 -10.215 18.000 1.00 28.75 O ATOM 1408 CB LEU A 146 -0.656 -12.357 18.413 1.00 29.21 C ATOM 1409 CG LEU A 146 -1.467 -13.004 19.546 1.00 29.51 C ATOM 1410 CD1 LEU A 146 -2.551 -13.929 19.005 1.00 29.51 C ATOM 1411 CD2 LEU A 146 -0.546 -13.763 20.491 1.00 29.51 C ATOM 1412 H LEU A 146 0.488 -10.937 16.536 1.00 0.00 H ATOM 1413 N SER A 147 -1.360 -9.481 18.743 1.00 29.07 N ATOM 1414 CA SER A 147 -1.884 -8.323 19.453 1.00 28.93 C ATOM 1415 C SER A 147 -1.004 -7.101 19.206 1.00 28.64 C ATOM 1416 O SER A 147 0.168 -7.241 18.846 1.00 28.80 O ATOM 1417 CB SER A 147 -1.971 -8.630 20.950 1.00 29.19 C ATOM 1418 OG SER A 147 -0.719 -9.022 21.470 1.00 29.74 O ATOM 1419 HG SER A 147 -0.810 -9.213 22.437 1.00 0.00 H ATOM 1420 H SER A 147 -0.333 -9.643 18.745 1.00 0.00 H ATOM 1421 N TYR A 148 -1.574 -5.907 19.376 1.00 28.20 N ATOM 1422 CA TYR A 148 -0.791 -4.668 19.305 1.00 28.08 C ATOM 1423 C TYR A 148 -1.386 -3.518 20.114 1.00 27.90 C ATOM 1424 O TYR A 148 -2.589 -3.476 20.379 1.00 27.71 O ATOM 1425 CB TYR A 148 -0.572 -4.221 17.848 1.00 28.53 C ATOM 1426 CG TYR A 148 -1.756 -3.521 17.206 1.00 28.82 C ATOM 1427 CD1 TYR A 148 -2.772 -4.250 16.588 1.00 29.01 C ATOM 1428 CD2 TYR A 148 -1.857 -2.127 17.214 1.00 29.10 C ATOM 1429 CE1 TYR A 148 -3.856 -3.614 16.003 1.00 29.20 C ATOM 1430 CE2 TYR A 148 -2.941 -1.482 16.634 1.00 29.16 C ATOM 1431 CZ TYR A 148 -3.937 -2.229 16.030 1.00 29.27 C ATOM 1432 OH TYR A 148 -5.010 -1.593 15.450 1.00 29.46 O ATOM 1433 HH TYR A 148 -5.625 -2.268 15.067 1.00 0.00 H ATOM 1434 H TYR A 148 -2.596 -5.853 19.563 1.00 0.00 H ATOM 1435 N SER A 149 -0.512 -2.585 20.478 1.00 27.90 N ATOM 1436 CA SER A 149 -0.869 -1.350 21.166 1.00 27.85 C ATOM 1437 C SER A 149 -0.201 -0.198 20.416 1.00 27.28 C ATOM 1438 O SER A 149 0.957 -0.316 20.021 1.00 27.02 O ATOM 1439 CB SER A 149 -0.383 -1.404 22.617 1.00 28.28 C ATOM 1440 OG SER A 149 -1.057 -0.455 23.422 1.00 28.82 O ATOM 1441 HG SER A 149 -0.721 -0.515 24.351 1.00 0.00 H ATOM 1442 H SER A 149 0.492 -2.746 20.258 1.00 0.00 H ATOM 1443 N LEU A 150 -0.930 0.900 20.215 1.00 27.08 N ATOM 1444 CA LEU A 150 -0.430 2.051 19.454 1.00 27.05 C ATOM 1445 C LEU A 150 -1.098 3.345 19.920 1.00 27.51 C ATOM 1446 O LEU A 150 -2.326 3.443 19.927 1.00 27.12 O ATOM 1447 CB LEU A 150 -0.691 1.840 17.957 1.00 27.01 C ATOM 1448 CG LEU A 150 -0.068 2.809 16.945 1.00 26.78 C ATOM 1449 CD1 LEU A 150 1.450 2.747 16.972 1.00 26.68 C ATOM 1450 CD2 LEU A 150 -0.576 2.492 15.548 1.00 26.76 C ATOM 1451 H LEU A 150 -1.890 0.943 20.613 1.00 0.00 H ATOM 1452 N ARG A 151 -0.284 4.325 20.313 1.00 28.24 N ATOM 1453 CA ARG A 151 -0.773 5.636 20.748 1.00 28.92 C ATOM 1454 C ARG A 151 0.152 6.744 20.256 1.00 29.91 C ATOM 1455 O ARG A 151 1.326 6.498 19.957 1.00 30.03 O ATOM 1456 CB ARG A 151 -0.886 5.687 22.278 1.00 29.20 C ATOM 1457 CG ARG A 151 0.445 5.784 23.019 1.00 29.38 C ATOM 1458 CD ARG A 151 0.318 5.395 24.486 1.00 29.75 C ATOM 1459 NE ARG A 151 1.615 5.444 25.172 1.00 30.05 N ATOM 1460 CZ ARG A 151 2.155 6.514 25.767 1.00 29.89 C ATOM 1461 NH1 ARG A 151 3.348 6.401 26.346 1.00 29.87 N ATOM 1462 NH2 ARG A 151 1.531 7.692 25.800 1.00 30.06 N ATOM 1463 HE ARG A 151 2.167 4.563 25.198 1.00 0.00 H ATOM 1464 HH12 ARG A 151 3.780 7.224 26.812 1.00 0.00 H ATOM 1465 HH11 ARG A 151 3.848 5.489 26.332 1.00 0.00 H ATOM 1466 HH22 ARG A 151 1.978 8.504 26.271 1.00 0.00 H ATOM 1467 HH21 ARG A 151 0.597 7.798 25.355 1.00 0.00 H ATOM 1468 H ARG A 151 0.741 4.152 20.311 1.00 0.00 H ATOM 1469 N GLU A 152 -0.389 7.959 20.181 1.00 30.64 N ATOM 1470 CA GLU A 152 0.407 9.154 19.902 1.00 31.36 C ATOM 1471 C GLU A 152 1.002 9.678 21.208 1.00 31.59 C ATOM 1472 O GLU A 152 0.497 9.382 22.293 1.00 30.63 O ATOM 1473 CB GLU A 152 -0.433 10.243 19.224 1.00 31.99 C ATOM 1474 CG GLU A 152 -0.805 9.940 17.779 1.00 32.75 C ATOM 1475 CD GLU A 152 -1.995 9.003 17.649 1.00 33.58 C ATOM 1476 OE1 GLU A 152 -1.781 7.784 17.463 1.00 33.66 O ATOM 1477 OE2 GLU A 152 -3.145 9.487 17.745 1.00 34.27 O ATOM 1478 H GLU A 152 -1.414 8.062 20.326 1.00 0.00 H ATOM 1479 N VAL A 153 2.087 10.439 21.091 1.00 32.49 N ATOM 1480 CA VAL A 153 2.734 11.077 22.243 1.00 33.57 C ATOM 1481 C VAL A 153 3.216 12.485 21.898 1.00 34.68 C ATOM 1482 O VAL A 153 3.552 12.774 20.747 1.00 34.37 O ATOM 1483 CB VAL A 153 3.932 10.251 22.787 1.00 33.27 C ATOM 1484 CG1 VAL A 153 3.452 8.932 23.374 1.00 33.34 C ATOM 1485 CG2 VAL A 153 4.993 10.006 21.716 1.00 33.34 C ATOM 1486 H VAL A 153 2.493 10.588 20.145 1.00 0.00 H ATOM 1487 N ASP A 154 3.238 13.349 22.907 1.00 36.06 N ATOM 1488 CA ASP A 154 3.864 14.664 22.800 1.00 37.47 C ATOM 1489 C ASP A 154 5.377 14.513 22.946 1.00 38.08 C ATOM 1490 O ASP A 154 6.139 15.172 22.234 1.00 38.86 O ATOM 1491 CB ASP A 154 3.322 15.605 23.877 1.00 38.39 C ATOM 1492 CG ASP A 154 1.826 15.832 23.753 1.00 39.32 C ATOM 1493 OD1 ASP A 154 1.413 16.605 22.861 1.00 39.38 O ATOM 1494 OD2 ASP A 154 1.064 15.234 24.546 1.00 40.13 O ATOM 1495 H ASP A 154 2.793 13.079 23.807 1.00 0.00 H ATOM 1496 N SER A 155 5.783 13.646 23.881 1.00 38.29 N ATOM 1497 CA SER A 155 7.185 13.299 24.155 1.00 38.03 C ATOM 1498 C SER A 155 7.976 14.458 24.769 1.00 37.96 C ATOM 1499 O SER A 155 8.319 15.430 24.096 1.00 37.55 O ATOM 1500 CB SER A 155 7.884 12.755 22.902 1.00 37.89 C ATOM 1501 OG SER A 155 9.058 12.043 23.255 1.00 38.08 O ATOM 1502 HG SER A 155 9.494 11.701 22.435 1.00 0.00 H ATOM 1503 H SER A 155 5.052 13.183 24.457 1.00 0.00 H TER 1504 SER A 155 HETATM 1505 O HOH 1 12.865 5.209 3.645 1.00 25.34 O HETATM 1506 O HOH 2 18.716 15.213 15.504 1.00 37.61 O HETATM 1507 O HOH 3 1.086 -4.983 22.411 1.00 56.15 O HETATM 1508 O HOH 4 28.569 12.031 3.716 1.00 19.51 O HETATM 1509 O HOH 5 8.215 -2.635 5.959 1.00 12.54 O HETATM 1510 O HOH 6 27.971 5.396 13.741 1.00 15.48 O HETATM 1511 O HOH 7 21.718 14.913 13.796 1.00 32.30 O HETATM 1512 O HOH 8 1.795 -3.092 5.666 1.00 20.67 O HETATM 1513 O HOH 9 16.210 -10.628 13.600 1.00 37.00 O HETATM 1514 O HOH 10 7.440 15.674 -3.313 1.00 24.31 O HETATM 1515 O HOH 11 -1.295 2.428 -0.309 1.00 31.01 O HETATM 1516 O HOH 12 -4.715 9.133 15.567 1.00 25.95 O HETATM 1517 O HOH 13 -2.783 5.272 17.630 1.00 23.15 O HETATM 1518 O HOH 14 9.565 -11.842 6.798 1.00 27.00 O HETATM 1519 O HOH 15 21.377 1.001 13.199 1.00 34.48 O HETATM 1520 O HOH 16 25.076 16.162 5.222 1.00 27.15 O HETATM 1521 O HOH 17 -0.986 -17.542 20.229 1.00 28.46 O HETATM 1522 O HOH 18 4.648 5.604 -7.060 1.00 21.89 O HETATM 1523 O HOH 19 12.014 -5.494 4.173 1.00 32.51 O HETATM 1524 O HOH 20 -1.260 -6.986 5.062 1.00 26.38 O HETATM 1525 O HOH 21 15.895 -8.350 19.038 1.00 35.59 O HETATM 1526 O HOH 22 20.974 -5.228 24.877 1.00 35.57 O HETATM 1527 O HOH 23 24.907 -6.573 2.814 1.00 36.33 O HETATM 1528 O HOH 24 2.219 1.522 23.745 1.00 39.96 O HETATM 1529 O HOH 25 29.564 -0.074 9.963 1.00 37.62 O HETATM 1530 O HOH 26 25.224 9.787 -3.064 1.00 30.50 O HETATM 1531 O HOH 27 21.935 -4.844 10.693 1.00 19.22 O HETATM 1532 O HOH 28 12.951 -5.512 6.778 1.00 31.32 O HETATM 1533 O HOH 29 23.254 11.365 19.348 1.00 25.33 O HETATM 1534 O HOH 30 7.618 -5.712 -5.054 1.00 19.20 O HETATM 1535 O HOH 31 30.206 6.156 16.701 1.00 28.13 O HETATM 1536 O HOH 32 26.263 0.333 -0.668 1.00 27.21 O HETATM 1537 O HOH 33 1.245 14.016 -8.051 1.00 22.47 O HETATM 1538 O HOH 34 1.382 12.233 25.353 1.00 32.55 O HETATM 1539 O HOH 35 8.860 14.920 9.335 1.00 25.10 O HETATM 1540 O HOH 36 27.819 -4.365 18.234 1.00 24.76 O HETATM 1541 O HOH 37 8.169 -3.521 25.320 1.00 45.46 O HETATM 1542 O HOH 38 20.104 -3.097 23.617 1.00 29.42 O HETATM 1543 O HOH 39 10.371 14.800 21.599 1.00 37.91 O HETATM 1544 O HOH 40 20.364 8.902 19.880 1.00 19.33 O HETATM 1545 O HOH 41 3.443 13.856 4.679 1.00 28.40 O HETATM 1546 O HOH 42 24.449 2.245 -1.012 1.00 31.85 O HETATM 1547 O HOH 43 7.441 15.332 4.120 1.00 34.48 O HETATM 1548 O HOH 44 9.819 17.015 3.056 1.00 32.90 O HETATM 1549 O HOH 45 26.396 12.890 -1.578 1.00 25.93 O HETATM 1550 O HOH 46 7.050 1.872 24.005 1.00 32.94 O HETATM 1551 O HOH 47 5.339 6.567 29.425 1.00 34.21 O HETATM 1552 O HOH 48 1.299 -9.605 -1.695 1.00 29.17 O HETATM 1553 O HOH 49 -4.503 -7.495 14.842 1.00 32.21 O HETATM 1554 O HOH 50 8.876 9.290 20.182 1.00 24.08 O HETATM 1555 O HOH 51 7.271 15.292 13.929 1.00 30.60 O HETATM 1556 O HOH 52 1.410 -0.032 26.523 1.00 31.18 O HETATM 1557 O HOH 53 13.806 -10.307 -3.255 1.00 25.92 O HETATM 1558 O HOH 54 15.483 7.328 23.487 1.00 20.73 O HETATM 1559 O HOH 55 24.402 -3.926 -6.582 1.00 22.63 O HETATM 1560 O HOH 56 -3.875 1.298 5.214 1.00 28.21 O HETATM 1561 O HOH 57 -2.152 10.637 1.067 1.00 22.37 O HETATM 1562 O HOH 58 16.988 12.636 -4.035 1.00 19.43 O HETATM 1563 O HOH 59 21.197 1.682 -12.389 1.00 34.12 O HETATM 1564 O HOH 60 28.955 9.308 12.146 1.00 27.29 O HETATM 1565 O HOH 61 -5.334 -13.588 14.546 1.00 25.06 O HETATM 1566 O HOH 62 23.879 20.181 -1.536 1.00 45.93 O HETATM 1567 O HOH 63 31.136 13.064 -0.175 1.00 30.78 O HETATM 1568 O HOH 64 11.524 10.131 32.422 1.00 31.56 O HETATM 1569 C13 UNN A 65 10.260 -4.622 11.709 1.00 -0.00 C HETATM 1570 C04 UNN A 65 11.030 -3.634 11.072 1.00 0.04 C HETATM 1571 N03 UNN A 65 10.450 -2.706 10.314 1.00 -0.27 N HETATM 1572 C02 UNN A 65 9.131 -2.708 10.147 1.00 0.17 C HETATM 1573 N01 UNN A 65 8.526 -1.682 9.304 1.00 -0.31 N HETATM 1574 H4 UNN A 65 9.118 -0.968 8.857 1.00 0.18 H HETATM 1575 H5 UNN A 65 7.507 -1.672 9.156 1.00 0.18 H HETATM 1576 N19 UNN A 65 8.362 -3.630 10.724 1.00 -0.25 N HETATM 1577 C14 UNN A 65 8.871 -4.588 11.495 1.00 0.11 C HETATM 1578 N15 UNN A 65 7.963 -5.565 12.091 1.00 -0.30 N HETATM 1579 C16 UNN A 65 8.452 -6.591 13.004 1.00 0.04 C HETATM 1580 C17 UNN A 65 9.152 -7.772 12.336 1.00 -0.03 C HETATM 1581 C18 UNN A 65 7.734 -7.934 12.895 1.00 -0.03 C HETATM 1582 H11 UNN A 65 7.564 -8.542 13.796 1.00 0.03 H HETATM 1583 H12 UNN A 65 6.882 -8.048 12.209 1.00 0.03 H HETATM 1584 H2 UNN A 65 10.000 -8.263 12.835 1.00 0.03 H HETATM 1585 H3 UNN A 65 9.318 -7.770 11.249 1.00 0.03 H HETATM 1586 H10 UNN A 65 8.786 -6.175 13.966 1.00 0.06 H HETATM 1587 H9 UNN A 65 6.959 -5.528 11.862 1.00 0.18 H HETATM 1588 C05 UNN A 65 12.559 -3.559 11.228 1.00 0.01 C HETATM 1589 C06 UNN A 65 13.117 -2.332 11.597 1.00 -0.05 C HETATM 1590 C07 UNN A 65 14.496 -2.207 11.742 1.00 -0.06 C HETATM 1591 C08 UNN A 65 15.330 -3.301 11.513 1.00 -0.04 C HETATM 1592 C09 UNN A 65 14.775 -4.526 11.141 1.00 0.06 C HETATM 1593 CL1 UNN A 65 15.838 -5.933 10.845 1.00 -0.07 CL HETATM 1594 C11 UNN A 65 13.393 -4.660 10.994 1.00 0.07 C HETATM 1595 CL2 UNN A 65 12.733 -6.250 10.517 1.00 -0.07 CL HETATM 1596 H8 UNN A 65 16.404 -3.200 11.623 1.00 0.06 H HETATM 1597 H7 UNN A 65 14.924 -1.255 12.034 1.00 0.06 H HETATM 1598 H6 UNN A 65 12.475 -1.476 11.771 1.00 0.07 H HETATM 1599 H1 UNN A 65 10.717 -5.377 12.338 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1569 1570 1577 1599 CONECT 1570 1569 1571 1588 CONECT 1571 1570 1572 CONECT 1572 1571 1573 1576 CONECT 1573 1572 1574 1575 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1572 1577 CONECT 1577 1569 1576 1578 CONECT 1578 1577 1579 1587 CONECT 1579 1578 1580 1581 1586 CONECT 1580 1579 1581 1584 1585 CONECT 1581 1579 1580 1582 1583 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1580 CONECT 1585 1580 CONECT 1586 1579 CONECT 1587 1578 CONECT 1588 1570 1589 1594 CONECT 1589 1588 1590 1598 CONECT 1590 1589 1591 1597 CONECT 1591 1590 1592 1596 CONECT 1592 1591 1593 1594 CONECT 1593 1592 CONECT 1594 1588 1592 1595 CONECT 1595 1594 CONECT 1596 1591 CONECT 1597 1590 CONECT 1598 1589 CONECT 1599 1569 MASTER 0 0 0 0 0 0 0 0 1598 1 35 12 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6ehh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5mzg
RCSB PDB
PDBbind
176aa, >5MZG_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4n1u
RCSB PDB
PDBbind
2GE
5hzx
RCSB PDB
PDBbind
2GE
5mzg
RCSB PDB
PDBbind
2GE
Entry Information
PDB ID
6ehh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
7,8-dihydro-8-oxoguanine triphosphatase L116M
Ligand Name
2GE
EC.Number
E.C.3.6.1.55
Resolution
2.4(Å)
Affinity (Kd/Ki/IC50)
IC50=32nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Biochemistry Vol. 57: pp. 593-603
Ligand Properties
Formula
C
1
3
H
1
2
Cl
2
N
4
Molecular Weight
295.167
Exact Mass
294.044
No. of atoms
31
No. of bonds
33
Polar Surface Area
63.83
LOGP Value
3.64 (
Computed with XLOGP3
)
4.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 3
Canonical SMILES
Nc1nc(NC2CC2)cc(n1)c1cccc(c1Cl)Cl
InChI String
InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)
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):
P53368
Entrez Gene ID
NCBI Entrez Gene ID:
17766
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓