Browse entries in the PDBbind-CN Database
HEADER 6PVW_COMPLEX COMPND 6PVW_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 ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET OZV A 242 50 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 ATOM 1 N LYS A 1 -14.066 4.764 11.656 1.00 50.32 N ATOM 2 CA LYS A 1 -13.579 3.486 11.151 1.00 47.66 C ATOM 3 C LYS A 1 -14.751 2.524 10.962 1.00 49.48 C ATOM 4 O LYS A 1 -15.918 2.901 11.155 1.00 47.96 O ATOM 5 CB LYS A 1 -12.550 2.889 12.112 1.00 45.66 C ATOM 6 HN3 LYS A 1 -14.541 4.616 12.569 1.00 0.00 H ATOM 7 HN2 LYS A 1 -14.739 5.171 10.975 1.00 0.00 H ATOM 8 HN1 LYS A 1 -13.264 5.414 11.782 1.00 0.00 H ATOM 9 N GLU A 2 -14.449 1.293 10.551 1.00 48.14 N ATOM 10 CA GLU A 2 -15.449 0.233 10.553 1.00 41.72 C ATOM 11 C GLU A 2 -15.636 -0.229 11.988 1.00 33.01 C ATOM 12 O GLU A 2 -14.658 -0.555 12.668 1.00 33.01 O ATOM 13 CB GLU A 2 -14.978 -0.942 9.691 1.00 35.87 C ATOM 14 CG GLU A 2 -16.021 -2.043 9.510 1.00 27.67 C ATOM 15 CD GLU A 2 -15.541 -3.200 8.621 1.00 24.08 C ATOM 16 OE1 GLU A 2 -14.380 -3.624 8.770 1.00 27.82 O ATOM 17 OE2 GLU A 2 -16.360 -3.698 7.802 1.00 29.29 O ATOM 18 H GLU A 2 -13.484 1.085 10.223 1.00 0.00 H ATOM 19 N THR A 3 -16.882 -0.222 12.462 1.00 33.16 N ATOM 20 CA THR A 3 -17.158 -0.738 13.799 1.00 30.15 C ATOM 21 C THR A 3 -17.016 -2.255 13.804 1.00 30.11 C ATOM 22 O THR A 3 -17.089 -2.917 12.760 1.00 25.09 O ATOM 23 CB THR A 3 -18.573 -0.383 14.254 1.00 30.21 C ATOM 24 OG1 THR A 3 -19.536 -1.134 13.497 1.00 28.99 O ATOM 25 CG2 THR A 3 -18.854 1.115 14.097 1.00 32.83 C ATOM 26 HG1 THR A 3 -20.449 -0.897 13.799 1.00 0.00 H ATOM 27 H THR A 3 -17.658 0.151 11.879 1.00 0.00 H ATOM 28 N ALA A 4 -16.789 -2.801 15.003 1.00 28.87 N ATOM 29 CA ALA A 4 -16.682 -4.253 15.154 1.00 25.90 C ATOM 30 C ALA A 4 -17.974 -4.946 14.741 1.00 21.46 C ATOM 31 O ALA A 4 -17.945 -6.028 14.135 1.00 21.12 O ATOM 32 CB ALA A 4 -16.321 -4.594 16.599 1.00 25.30 C ATOM 33 H ALA A 4 -16.687 -2.188 15.837 1.00 0.00 H ATOM 34 N ALA A 5 -19.123 -4.340 15.053 1.00 21.22 N ATOM 35 CA ALA A 5 -20.389 -4.908 14.599 1.00 21.35 C ATOM 36 C ALA A 5 -20.459 -4.947 13.081 1.00 21.72 C ATOM 37 O ALA A 5 -20.917 -5.935 12.508 1.00 17.37 O ATOM 38 CB ALA A 5 -21.583 -4.141 15.180 1.00 23.21 C ATOM 39 H ALA A 5 -19.116 -3.467 15.617 1.00 0.00 H ATOM 40 N ALA A 6 -20.038 -3.865 12.408 1.00 19.97 N ATOM 41 CA ALA A 6 -20.060 -3.860 10.948 1.00 21.66 C ATOM 42 C ALA A 6 -19.069 -4.866 10.365 1.00 18.56 C ATOM 43 O ALA A 6 -19.351 -5.509 9.347 1.00 20.07 O ATOM 44 CB ALA A 6 -19.760 -2.443 10.444 1.00 23.81 C ATOM 45 H ALA A 6 -19.696 -3.030 12.926 1.00 0.00 H ATOM 46 N LYS A 7 -17.906 -5.004 10.986 1.00 19.15 N ATOM 47 CA LYS A 7 -16.938 -5.995 10.543 1.00 16.67 C ATOM 48 C LYS A 7 -17.506 -7.405 10.664 1.00 19.93 C ATOM 49 O LYS A 7 -17.313 -8.240 9.775 1.00 19.83 O ATOM 50 CB LYS A 7 -15.657 -5.833 11.352 1.00 21.50 C ATOM 51 CG LYS A 7 -14.562 -6.804 10.959 1.00 24.33 C ATOM 52 CD LYS A 7 -13.344 -6.618 11.843 1.00 25.99 C ATOM 53 CE LYS A 7 -12.288 -7.668 11.543 1.00 31.56 C ATOM 54 NZ LYS A 7 -10.963 -7.293 12.122 1.00 44.96 N ATOM 55 HZ1 LYS A 7 -10.652 -6.387 11.716 1.00 0.00 H ATOM 56 HZ2 LYS A 7 -11.051 -7.199 13.154 1.00 0.00 H ATOM 57 HZ3 LYS A 7 -10.266 -8.032 11.898 1.00 0.00 H ATOM 58 H LYS A 7 -17.683 -4.396 11.800 1.00 0.00 H ATOM 59 N PHE A 8 -18.214 -7.695 11.762 1.00 18.54 N ATOM 60 CA PHE A 8 -18.888 -8.984 11.861 1.00 17.48 C ATOM 61 C PHE A 8 -19.873 -9.188 10.705 1.00 17.49 C ATOM 62 O PHE A 8 -19.939 -10.274 10.116 1.00 17.20 O ATOM 63 CB PHE A 8 -19.573 -9.123 13.238 1.00 15.25 C ATOM 64 CG PHE A 8 -20.326 -10.410 13.389 1.00 12.46 C ATOM 65 CD1 PHE A 8 -21.617 -10.525 12.902 1.00 13.34 C ATOM 66 CD2 PHE A 8 -19.698 -11.528 13.921 1.00 13.92 C ATOM 67 CE1 PHE A 8 -22.302 -11.694 12.941 1.00 15.00 C ATOM 68 CE2 PHE A 8 -20.411 -12.732 14.010 1.00 14.49 C ATOM 69 CZ PHE A 8 -21.708 -12.815 13.523 1.00 13.80 C ATOM 70 H PHE A 8 -18.283 -7.006 12.538 1.00 0.00 H ATOM 71 N GLU A 9 -20.688 -8.170 10.395 1.00 17.09 N ATOM 72 CA GLU A 9 -21.617 -8.300 9.274 1.00 17.38 C ATOM 73 C GLU A 9 -20.886 -8.563 7.955 1.00 18.83 C ATOM 74 O GLU A 9 -21.313 -9.414 7.168 1.00 18.01 O ATOM 75 CB GLU A 9 -22.515 -7.068 9.182 1.00 18.28 C ATOM 76 CG GLU A 9 -23.445 -6.933 10.390 1.00 21.37 C ATOM 77 CD GLU A 9 -24.510 -5.870 10.213 1.00 25.28 C ATOM 78 OE1 GLU A 9 -24.995 -5.681 9.074 1.00 28.60 O ATOM 79 OE2 GLU A 9 -24.882 -5.223 11.217 1.00 22.30 O ATOM 80 H GLU A 9 -20.659 -7.291 10.950 1.00 0.00 H ATOM 81 N ARG A 10 -19.796 -7.828 7.699 1.00 17.78 N ATOM 82 CA ARG A 10 -19.040 -8.015 6.459 1.00 18.46 C ATOM 83 C ARG A 10 -18.391 -9.391 6.398 1.00 17.36 C ATOM 84 O ARG A 10 -18.392 -10.048 5.345 1.00 19.02 O ATOM 85 CB ARG A 10 -17.966 -6.934 6.335 1.00 22.23 C ATOM 86 CG ARG A 10 -17.006 -7.173 5.169 1.00 23.80 C ATOM 87 CD ARG A 10 -16.038 -5.999 4.990 1.00 23.77 C ATOM 88 NE ARG A 10 -15.235 -5.744 6.176 1.00 22.42 N ATOM 89 CZ ARG A 10 -14.076 -6.337 6.450 1.00 23.60 C ATOM 90 NH1 ARG A 10 -13.576 -7.252 5.622 1.00 28.01 N ATOM 91 NH2 ARG A 10 -13.417 -6.017 7.557 1.00 27.06 N ATOM 92 HE ARG A 10 -15.593 -5.047 6.860 1.00 0.00 H ATOM 93 HH12 ARG A 10 -12.670 -7.712 5.842 1.00 0.00 H ATOM 94 HH11 ARG A 10 -14.092 -7.507 4.756 1.00 0.00 H ATOM 95 HH22 ARG A 10 -12.511 -6.478 7.774 1.00 0.00 H ATOM 96 HH21 ARG A 10 -13.807 -5.305 8.207 1.00 0.00 H ATOM 97 H ARG A 10 -19.483 -7.116 8.389 1.00 0.00 H ATOM 98 N GLN A 11 -17.813 -9.848 7.506 1.00 17.56 N ATOM 99 CA GLN A 11 -17.093 -11.113 7.461 1.00 16.31 C ATOM 100 C GLN A 11 -18.004 -12.329 7.572 1.00 18.44 C ATOM 101 O GLN A 11 -17.587 -13.420 7.178 1.00 20.05 O ATOM 102 CB GLN A 11 -16.069 -11.176 8.589 1.00 18.62 C ATOM 103 CG GLN A 11 -14.963 -10.107 8.486 1.00 24.89 C ATOM 104 CD GLN A 11 -13.847 -10.327 9.493 1.00 31.15 C ATOM 105 OE1 GLN A 11 -14.092 -10.726 10.628 1.00 31.20 O ATOM 106 NE2 GLN A 11 -12.608 -10.073 9.079 1.00 32.59 N ATOM 107 HE22 GLN A 11 -12.443 -9.736 8.109 1.00 0.00 H ATOM 108 HE21 GLN A 11 -11.805 -10.211 9.725 1.00 0.00 H ATOM 109 H GLN A 11 -17.875 -9.309 8.393 1.00 0.00 H ATOM 110 N HIS A 12 -19.212 -12.197 8.125 1.00 16.86 N ATOM 111 CA HIS A 12 -19.960 -13.387 8.523 1.00 14.84 C ATOM 112 C HIS A 12 -21.430 -13.448 8.130 1.00 15.71 C ATOM 113 O HIS A 12 -22.034 -14.511 8.312 1.00 18.23 O ATOM 114 CB HIS A 12 -19.834 -13.621 10.042 1.00 15.95 C ATOM 115 CG HIS A 12 -18.432 -13.849 10.472 1.00 15.61 C ATOM 116 ND1 HIS A 12 -17.715 -14.963 10.086 1.00 16.12 N ATOM 117 CD2 HIS A 12 -17.607 -13.125 11.267 1.00 13.83 C ATOM 118 CE1 HIS A 12 -16.504 -14.900 10.609 1.00 18.56 C ATOM 119 NE2 HIS A 12 -16.408 -13.780 11.306 1.00 16.01 N ATOM 120 H HIS A 12 -19.619 -11.251 8.272 1.00 0.00 H ATOM 121 N MET A 13 -22.047 -12.365 7.681 1.00 17.02 N ATOM 122 CA MET A 13 -23.467 -12.368 7.365 1.00 19.39 C ATOM 123 C MET A 13 -23.692 -12.483 5.856 1.00 22.04 C ATOM 124 O MET A 13 -23.168 -11.681 5.082 1.00 22.37 O ATOM 125 CB MET A 13 -24.147 -11.098 7.871 1.00 20.16 C ATOM 126 CG MET A 13 -24.285 -10.980 9.403 1.00 19.64 C ATOM 127 SD MET A 13 -25.212 -12.354 10.144 1.00 20.05 S ATOM 128 CE MET A 13 -26.755 -12.353 9.269 1.00 17.37 C ATOM 129 H MET A 13 -21.502 -11.489 7.551 1.00 0.00 H ATOM 130 N ASP A 14 -24.525 -13.433 5.450 1.00 21.23 N ATOM 131 CA ASP A 14 -24.967 -13.523 4.057 1.00 24.21 C ATOM 132 C ASP A 14 -26.410 -14.013 4.001 1.00 20.83 C ATOM 133 O ASP A 14 -26.668 -15.170 3.644 1.00 22.10 O ATOM 134 CB ASP A 14 -24.072 -14.429 3.224 1.00 22.37 C ATOM 135 CG ASP A 14 -24.470 -14.405 1.769 1.00 30.18 C ATOM 136 OD1 ASP A 14 -25.067 -13.376 1.382 1.00 27.27 O ATOM 137 OD2 ASP A 14 -24.218 -15.394 1.054 1.00 29.97 O ATOM 138 H ASP A 14 -24.872 -14.131 6.138 1.00 0.00 H ATOM 139 N SER A 15 -27.334 -13.115 4.339 1.00 22.88 N ATOM 140 CA SER A 15 -28.754 -13.437 4.423 1.00 24.66 C ATOM 141 C SER A 15 -29.422 -13.614 3.061 1.00 31.15 C ATOM 142 O SER A 15 -30.575 -14.052 3.020 1.00 39.20 O ATOM 143 CB SER A 15 -29.500 -12.353 5.202 1.00 24.98 C ATOM 144 OG SER A 15 -28.804 -11.962 6.378 1.00 25.52 O ATOM 145 HG SER A 15 -28.694 -12.747 6.971 1.00 0.00 H ATOM 146 H SER A 15 -27.030 -12.143 4.552 1.00 0.00 H ATOM 147 N SER A 16 -28.744 -13.296 1.953 1.00 32.09 N ATOM 148 CA SER A 16 -29.396 -13.293 0.639 1.00 38.62 C ATOM 149 C SER A 16 -29.544 -14.681 0.013 1.00 45.00 C ATOM 150 O SER A 16 -30.423 -14.870 -0.839 1.00 45.13 O ATOM 151 CB SER A 16 -28.675 -12.348 -0.333 1.00 35.19 C ATOM 152 OG SER A 16 -28.545 -11.054 0.234 1.00 44.01 O ATOM 153 HG SER A 16 -28.079 -10.460 -0.406 1.00 0.00 H ATOM 154 H SER A 16 -27.737 -13.046 2.024 1.00 0.00 H ATOM 155 N THR A 17 -28.716 -15.648 0.388 1.00 42.03 N ATOM 156 CA THR A 17 -28.899 -17.020 -0.059 1.00 44.54 C ATOM 157 C THR A 17 -29.333 -17.896 1.111 1.00 47.34 C ATOM 158 O THR A 17 -28.986 -17.634 2.266 1.00 40.44 O ATOM 159 CB THR A 17 -27.623 -17.584 -0.688 1.00 45.66 C ATOM 160 OG1 THR A 17 -26.512 -17.363 0.193 1.00 41.17 O ATOM 161 CG2 THR A 17 -27.351 -16.908 -2.026 1.00 47.84 C ATOM 162 HG1 THR A 17 -26.402 -16.391 0.346 1.00 0.00 H ATOM 163 H THR A 17 -27.919 -15.420 1.015 1.00 0.00 H ATOM 164 N SER A 18 -30.113 -18.937 0.790 1.00 47.61 N ATOM 165 CA SER A 18 -30.570 -19.896 1.790 1.00 45.68 C ATOM 166 C SER A 18 -29.447 -20.829 2.228 1.00 41.95 C ATOM 167 O SER A 18 -29.464 -21.325 3.362 1.00 33.09 O ATOM 168 CB SER A 18 -31.725 -20.730 1.215 1.00 44.88 C ATOM 169 OG SER A 18 -32.969 -20.064 1.351 1.00 50.80 O ATOM 170 HG SER A 18 -33.688 -20.629 0.971 1.00 0.00 H ATOM 171 H SER A 18 -30.401 -19.065 -0.201 1.00 0.00 H ATOM 172 N ALA A 19 -28.472 -21.064 1.354 1.00 37.73 N ATOM 173 CA ALA A 19 -27.404 -22.031 1.585 1.00 37.39 C ATOM 174 C ALA A 19 -26.169 -21.580 0.803 1.00 42.34 C ATOM 175 O ALA A 19 -26.077 -20.423 0.377 1.00 47.95 O ATOM 176 CB ALA A 19 -27.886 -23.456 1.252 1.00 39.00 C ATOM 177 H ALA A 19 -28.471 -20.531 0.461 1.00 0.00 H ATOM 178 N ALA A 20 -25.209 -22.491 0.631 1.00 42.16 N ATOM 179 CA ALA A 20 -23.990 -22.199 -0.117 1.00 41.93 C ATOM 180 C ALA A 20 -24.332 -22.119 -1.595 1.00 48.43 C ATOM 181 O ALA A 20 -24.682 -23.132 -2.213 1.00 50.36 O ATOM 182 CB ALA A 20 -22.947 -23.286 0.124 1.00 39.92 C ATOM 183 H ALA A 20 -25.333 -23.438 1.043 1.00 0.00 H ATOM 184 N SER A 21 -24.225 -20.910 -2.151 1.00 45.74 N ATOM 185 CA SER A 21 -24.569 -20.609 -3.537 1.00 49.33 C ATOM 186 C SER A 21 -24.143 -21.710 -4.498 1.00 47.02 C ATOM 187 O SER A 21 -24.933 -22.120 -5.358 1.00 54.65 O ATOM 188 CB SER A 21 -23.972 -19.256 -3.950 1.00 46.96 C ATOM 189 OG SER A 21 -23.627 -19.217 -5.328 1.00 47.48 O ATOM 190 HG SER A 21 -23.248 -18.329 -5.547 1.00 0.00 H ATOM 191 H SER A 21 -23.873 -20.132 -1.558 1.00 0.00 H ATOM 192 N SER A 22 -22.925 -22.230 -4.327 1.00 42.50 N ATOM 193 CA SER A 22 -22.351 -23.169 -5.285 1.00 39.19 C ATOM 194 C SER A 22 -20.962 -23.587 -4.833 1.00 41.44 C ATOM 195 O SER A 22 -20.469 -23.106 -3.806 1.00 38.64 O ATOM 196 CB SER A 22 -22.242 -22.521 -6.670 1.00 38.10 C ATOM 197 OG SER A 22 -21.254 -21.501 -6.701 1.00 38.94 O ATOM 198 HG SER A 22 -21.215 -21.109 -7.609 1.00 0.00 H ATOM 199 H SER A 22 -22.371 -21.959 -3.489 1.00 0.00 H ATOM 200 N SER A 23 -20.314 -24.471 -5.604 1.00 37.21 N ATOM 201 CA SER A 23 -18.913 -24.787 -5.342 1.00 34.46 C ATOM 202 C SER A 23 -18.012 -23.567 -5.507 1.00 29.58 C ATOM 203 O SER A 23 -16.897 -23.565 -4.987 1.00 36.10 O ATOM 204 CB SER A 23 -18.436 -25.962 -6.217 1.00 36.59 C ATOM 205 OG SER A 23 -18.849 -25.833 -7.582 1.00 27.46 O ATOM 206 HG SER A 23 -18.475 -24.999 -7.961 1.00 0.00 H ATOM 207 H SER A 23 -20.811 -24.934 -6.392 1.00 0.00 H ATOM 208 N ASN A 24 -18.481 -22.519 -6.188 1.00 37.73 N ATOM 209 CA ASN A 24 -17.713 -21.289 -6.358 1.00 37.16 C ATOM 210 C ASN A 24 -17.899 -20.306 -5.218 1.00 31.72 C ATOM 211 O ASN A 24 -17.194 -19.293 -5.192 1.00 27.51 O ATOM 212 CB ASN A 24 -18.166 -20.532 -7.618 1.00 39.60 C ATOM 213 CG ASN A 24 -18.100 -21.370 -8.871 1.00 45.59 C ATOM 214 OD1 ASN A 24 -18.941 -21.229 -9.770 1.00 44.75 O ATOM 215 ND2 ASN A 24 -17.087 -22.232 -8.957 1.00 44.86 N ATOM 216 HD22 ASN A 24 -16.406 -22.314 -8.175 1.00 0.00 H ATOM 217 HD21 ASN A 24 -16.977 -22.823 -9.806 1.00 0.00 H ATOM 218 H ASN A 24 -19.428 -22.581 -6.613 1.00 0.00 H ATOM 219 N TYR A 25 -18.838 -20.579 -4.301 1.00 32.73 N ATOM 220 CA TYR A 25 -19.331 -19.564 -3.366 1.00 29.35 C ATOM 221 C TYR A 25 -18.202 -18.958 -2.546 1.00 26.18 C ATOM 222 O TYR A 25 -18.056 -17.729 -2.467 1.00 24.63 O ATOM 223 CB TYR A 25 -20.363 -20.203 -2.442 1.00 34.69 C ATOM 224 CG TYR A 25 -20.864 -19.312 -1.329 1.00 30.90 C ATOM 225 CD1 TYR A 25 -21.897 -18.427 -1.549 1.00 28.90 C ATOM 226 CD2 TYR A 25 -20.306 -19.369 -0.054 1.00 30.22 C ATOM 227 CE1 TYR A 25 -22.376 -17.615 -0.547 1.00 32.55 C ATOM 228 CE2 TYR A 25 -20.787 -18.565 0.958 1.00 26.48 C ATOM 229 CZ TYR A 25 -21.823 -17.692 0.708 1.00 26.18 C ATOM 230 OH TYR A 25 -22.317 -16.861 1.694 1.00 27.49 O ATOM 231 HH TYR A 25 -23.053 -16.313 1.324 1.00 0.00 H ATOM 232 H TYR A 25 -19.229 -21.541 -4.252 1.00 0.00 H ATOM 233 N CYS A 26 -17.406 -19.809 -1.906 1.00 25.14 N ATOM 234 CA CYS A 26 -16.355 -19.300 -1.035 1.00 22.67 C ATOM 235 C CYS A 26 -15.290 -18.554 -1.821 1.00 25.13 C ATOM 236 O CYS A 26 -14.757 -17.538 -1.356 1.00 24.28 O ATOM 237 CB CYS A 26 -15.746 -20.430 -0.222 1.00 22.69 C ATOM 238 SG CYS A 26 -16.832 -21.015 1.089 1.00 23.15 S ATOM 239 H CYS A 26 -17.533 -20.834 -2.027 1.00 0.00 H ATOM 240 N ASN A 27 -14.962 -19.041 -3.016 1.00 25.64 N ATOM 241 CA ASN A 27 -13.975 -18.333 -3.815 1.00 27.51 C ATOM 242 C ASN A 27 -14.428 -16.907 -4.072 1.00 26.94 C ATOM 243 O ASN A 27 -13.660 -15.956 -3.893 1.00 28.82 O ATOM 244 CB ASN A 27 -13.742 -19.082 -5.125 1.00 26.84 C ATOM 245 CG ASN A 27 -12.989 -20.350 -4.920 1.00 28.48 C ATOM 246 OD1 ASN A 27 -12.156 -20.447 -4.014 1.00 29.32 O ATOM 247 ND2 ASN A 27 -13.255 -21.345 -5.765 1.00 32.91 N ATOM 248 HD22 ASN A 27 -13.966 -21.216 -6.513 1.00 0.00 H ATOM 249 HD21 ASN A 27 -12.752 -22.251 -5.677 1.00 0.00 H ATOM 250 H ASN A 27 -15.404 -19.913 -3.372 1.00 0.00 H ATOM 251 N GLN A 28 -15.689 -16.743 -4.482 1.00 28.58 N ATOM 252 CA GLN A 28 -16.225 -15.421 -4.772 1.00 26.28 C ATOM 253 C GLN A 28 -16.392 -14.603 -3.497 1.00 28.98 C ATOM 254 O GLN A 28 -16.006 -13.431 -3.453 1.00 29.27 O ATOM 255 CB GLN A 28 -17.574 -15.550 -5.478 1.00 30.21 C ATOM 256 CG GLN A 28 -17.562 -16.389 -6.742 1.00 38.15 C ATOM 257 CD GLN A 28 -18.958 -16.621 -7.295 1.00 42.86 C ATOM 258 OE1 GLN A 28 -19.958 -16.329 -6.632 1.00 45.49 O ATOM 259 NE2 GLN A 28 -19.035 -17.139 -8.519 1.00 48.39 N ATOM 260 HE22 GLN A 28 -18.166 -17.370 -9.042 1.00 0.00 H ATOM 261 HE21 GLN A 28 -19.964 -17.313 -8.953 1.00 0.00 H ATOM 262 H GLN A 28 -16.300 -17.577 -4.596 1.00 0.00 H ATOM 263 N MET A 29 -16.945 -15.213 -2.444 1.00 28.55 N ATOM 264 CA MET A 29 -17.351 -14.441 -1.268 1.00 27.71 C ATOM 265 C MET A 29 -16.156 -14.019 -0.422 1.00 25.04 C ATOM 266 O MET A 29 -16.109 -12.886 0.071 1.00 26.95 O ATOM 267 CB MET A 29 -18.324 -15.262 -0.423 1.00 24.64 C ATOM 268 CG MET A 29 -19.743 -15.293 -0.953 1.00 26.77 C ATOM 269 SD MET A 29 -20.587 -13.701 -0.770 1.00 34.18 S ATOM 270 CE MET A 29 -20.822 -13.638 1.013 1.00 25.96 C ATOM 271 H MET A 29 -17.088 -16.243 -2.460 1.00 0.00 H ATOM 272 N MET A 30 -15.184 -14.913 -0.231 1.00 21.72 N ATOM 273 CA MET A 30 -13.985 -14.512 0.501 1.00 22.54 C ATOM 274 C MET A 30 -13.328 -13.309 -0.160 1.00 29.53 C ATOM 275 O MET A 30 -12.788 -12.438 0.521 1.00 25.65 O ATOM 276 CB MET A 30 -12.994 -15.673 0.583 1.00 23.32 C ATOM 277 CG MET A 30 -13.491 -16.869 1.378 1.00 19.16 C ATOM 278 SD MET A 30 -13.804 -16.467 3.124 1.00 20.79 S ATOM 279 CE MET A 30 -12.147 -16.207 3.755 1.00 22.68 C ATOM 280 H MET A 30 -15.279 -15.881 -0.598 1.00 0.00 H ATOM 281 N LYS A 31 -13.389 -13.231 -1.485 1.00 30.22 N ATOM 282 CA LYS A 31 -12.784 -12.093 -2.159 1.00 27.69 C ATOM 283 C LYS A 31 -13.661 -10.853 -2.028 1.00 26.19 C ATOM 284 O LYS A 31 -13.176 -9.779 -1.655 1.00 28.12 O ATOM 285 CB LYS A 31 -12.532 -12.441 -3.627 1.00 31.87 C ATOM 286 CG LYS A 31 -11.485 -11.545 -4.277 1.00 36.35 C ATOM 287 CD LYS A 31 -11.851 -11.230 -5.716 1.00 41.81 C ATOM 288 CE LYS A 31 -10.713 -10.518 -6.423 1.00 43.18 C ATOM 289 NZ LYS A 31 -9.808 -9.819 -5.457 1.00 42.49 N ATOM 290 HZ1 LYS A 31 -10.353 -9.113 -4.922 1.00 0.00 H ATOM 291 HZ2 LYS A 31 -9.400 -10.515 -4.800 1.00 0.00 H ATOM 292 HZ3 LYS A 31 -9.044 -9.345 -5.980 1.00 0.00 H ATOM 293 H LYS A 31 -13.864 -13.976 -2.034 1.00 0.00 H ATOM 294 N SER A 32 -14.960 -10.993 -2.301 1.00 25.53 N ATOM 295 CA SER A 32 -15.837 -9.827 -2.330 1.00 25.58 C ATOM 296 C SER A 32 -15.987 -9.178 -0.958 1.00 28.11 C ATOM 297 O SER A 32 -16.215 -7.966 -0.875 1.00 28.97 O ATOM 298 CB SER A 32 -17.199 -10.192 -2.908 1.00 28.28 C ATOM 299 OG SER A 32 -17.889 -11.117 -2.084 1.00 32.27 O ATOM 300 HG SER A 32 -18.027 -10.720 -1.188 1.00 0.00 H ATOM 301 H SER A 32 -15.349 -11.938 -2.494 1.00 0.00 H ATOM 302 N ARG A 33 -15.882 -9.955 0.122 1.00 25.38 N ATOM 303 CA ARG A 33 -15.971 -9.404 1.473 1.00 28.72 C ATOM 304 C ARG A 33 -14.620 -8.969 2.023 1.00 29.76 C ATOM 305 O ARG A 33 -14.512 -8.683 3.223 1.00 25.30 O ATOM 306 CB ARG A 33 -16.617 -10.407 2.435 1.00 21.26 C ATOM 307 CG ARG A 33 -18.029 -10.793 2.060 1.00 21.69 C ATOM 308 CD ARG A 33 -18.959 -9.595 2.034 1.00 21.52 C ATOM 309 NE ARG A 33 -20.349 -9.985 1.810 1.00 24.38 N ATOM 310 CZ ARG A 33 -21.172 -10.423 2.764 1.00 22.92 C ATOM 311 NH1 ARG A 33 -20.747 -10.503 4.022 1.00 21.68 N ATOM 312 NH2 ARG A 33 -22.419 -10.773 2.464 1.00 23.00 N ATOM 313 HE ARG A 33 -20.722 -9.917 0.842 1.00 0.00 H ATOM 314 HH12 ARG A 33 -21.388 -10.844 4.767 1.00 0.00 H ATOM 315 HH11 ARG A 33 -19.774 -10.224 4.261 1.00 0.00 H ATOM 316 HH22 ARG A 33 -23.057 -11.114 3.211 1.00 0.00 H ATOM 317 HH21 ARG A 33 -22.756 -10.706 1.482 1.00 0.00 H ATOM 318 H ARG A 33 -15.733 -10.977 -0.001 1.00 0.00 H ATOM 319 N ASN A 34 -13.583 -8.954 1.182 1.00 29.64 N ATOM 320 CA ASN A 34 -12.286 -8.389 1.517 1.00 30.36 C ATOM 321 C ASN A 34 -11.510 -9.238 2.510 1.00 28.17 C ATOM 322 O ASN A 34 -10.724 -8.713 3.299 1.00 30.91 O ATOM 323 CB ASN A 34 -12.398 -6.938 1.994 1.00 32.63 C ATOM 324 CG ASN A 34 -11.747 -5.957 1.043 1.00 44.58 C ATOM 325 OD1 ASN A 34 -11.338 -6.317 -0.069 1.00 43.19 O ATOM 326 ND2 ASN A 34 -11.645 -4.702 1.477 1.00 46.42 N ATOM 327 HD22 ASN A 34 -12.003 -4.447 2.419 1.00 0.00 H ATOM 328 HD21 ASN A 34 -11.207 -3.977 0.874 1.00 0.00 H ATOM 329 H ASN A 34 -13.710 -9.369 0.237 1.00 0.00 H ATOM 330 N LEU A 35 -11.703 -10.556 2.482 1.00 27.77 N ATOM 331 CA LEU A 35 -10.977 -11.454 3.364 1.00 29.74 C ATOM 332 C LEU A 35 -9.747 -12.055 2.699 1.00 26.96 C ATOM 333 O LEU A 35 -9.110 -12.936 3.281 1.00 32.12 O ATOM 334 CB LEU A 35 -11.903 -12.559 3.874 1.00 25.94 C ATOM 335 CG LEU A 35 -13.211 -11.988 4.432 1.00 30.19 C ATOM 336 CD1 LEU A 35 -14.218 -13.082 4.782 1.00 22.89 C ATOM 337 CD2 LEU A 35 -12.878 -11.146 5.639 1.00 29.57 C ATOM 338 H LEU A 35 -12.392 -10.953 1.811 1.00 0.00 H ATOM 339 N THR A 36 -9.389 -11.584 1.500 1.00 33.20 N ATOM 340 CA THR A 36 -8.215 -12.087 0.793 1.00 34.37 C ATOM 341 C THR A 36 -7.287 -10.966 0.336 1.00 38.65 C ATOM 342 O THR A 36 -6.449 -11.181 -0.548 1.00 39.18 O ATOM 343 CB THR A 36 -8.607 -12.972 -0.395 1.00 31.91 C ATOM 344 OG1 THR A 36 -9.342 -12.204 -1.363 1.00 35.55 O ATOM 345 CG2 THR A 36 -9.461 -14.156 0.064 1.00 34.26 C ATOM 346 HG1 THR A 36 -9.590 -12.786 -2.125 1.00 0.00 H ATOM 347 H THR A 36 -9.963 -10.838 1.058 1.00 0.00 H ATOM 348 N LYS A 37 -7.403 -9.775 0.912 1.00 39.27 N ATOM 349 CA LYS A 37 -6.601 -8.679 0.375 1.00 43.92 C ATOM 350 C LYS A 37 -5.196 -8.640 0.969 1.00 44.77 C ATOM 351 O LYS A 37 -4.217 -8.463 0.238 1.00 47.85 O ATOM 352 CB LYS A 37 -7.322 -7.335 0.544 1.00 46.01 C ATOM 353 CG LYS A 37 -6.607 -6.179 -0.163 1.00 51.45 C ATOM 354 CD LYS A 37 -7.023 -4.836 0.402 1.00 50.04 C ATOM 355 CE LYS A 37 -6.659 -4.734 1.875 1.00 52.34 C ATOM 356 NZ LYS A 37 -6.195 -3.362 2.226 1.00 51.05 N ATOM 357 HZ1 LYS A 37 -5.355 -3.126 1.660 1.00 0.00 H ATOM 358 HZ2 LYS A 37 -6.953 -2.679 2.024 1.00 0.00 H ATOM 359 HZ3 LYS A 37 -5.955 -3.327 3.237 1.00 0.00 H ATOM 360 H LYS A 37 -8.043 -9.628 1.718 1.00 0.00 H ATOM 361 N ASP A 38 -5.081 -8.785 2.287 1.00 42.29 N ATOM 362 CA ASP A 38 -3.773 -8.823 2.927 1.00 43.74 C ATOM 363 C ASP A 38 -3.146 -10.206 2.839 1.00 46.60 C ATOM 364 O ASP A 38 -1.915 -10.333 2.780 1.00 45.07 O ATOM 365 CB ASP A 38 -3.911 -8.426 4.398 1.00 48.41 C ATOM 366 CG ASP A 38 -3.723 -6.942 4.624 1.00 52.55 C ATOM 367 OD1 ASP A 38 -4.016 -6.149 3.697 1.00 51.51 O ATOM 368 OD2 ASP A 38 -3.279 -6.571 5.734 1.00 57.04 O ATOM 369 H ASP A 38 -5.938 -8.873 2.869 1.00 0.00 H ATOM 370 N ARG A 39 -3.976 -11.240 2.833 1.00 38.99 N ATOM 371 CA ARG A 39 -3.549 -12.629 2.836 1.00 36.09 C ATOM 372 C ARG A 39 -4.812 -13.457 2.657 1.00 39.40 C ATOM 373 O ARG A 39 -5.927 -12.945 2.772 1.00 41.91 O ATOM 374 CB ARG A 39 -2.842 -12.997 4.138 1.00 35.72 C ATOM 375 CG ARG A 39 -3.785 -13.266 5.300 1.00 41.24 C ATOM 376 CD ARG A 39 -3.012 -13.403 6.595 1.00 39.85 C ATOM 377 NE ARG A 39 -3.889 -13.682 7.721 1.00 45.73 N ATOM 378 CZ ARG A 39 -4.158 -14.904 8.164 1.00 44.75 C ATOM 379 NH1 ARG A 39 -3.609 -15.958 7.573 1.00 43.93 N ATOM 380 NH2 ARG A 39 -4.972 -15.070 9.197 1.00 41.79 N ATOM 381 HE ARG A 39 -4.332 -12.877 8.208 1.00 0.00 H ATOM 382 HH12 ARG A 39 -3.819 -16.916 7.919 1.00 0.00 H ATOM 383 HH11 ARG A 39 -2.969 -15.826 6.764 1.00 0.00 H ATOM 384 HH22 ARG A 39 -5.183 -16.027 9.544 1.00 0.00 H ATOM 385 HH21 ARG A 39 -5.400 -14.243 9.660 1.00 0.00 H ATOM 386 H ARG A 39 -4.997 -11.045 2.826 1.00 0.00 H ATOM 387 N CYS A 40 -4.632 -14.741 2.363 1.00 39.47 N ATOM 388 CA CYS A 40 -5.773 -15.647 2.304 1.00 32.32 C ATOM 389 C CYS A 40 -6.198 -15.923 3.739 1.00 29.86 C ATOM 390 O CYS A 40 -5.458 -16.559 4.490 1.00 34.73 O ATOM 391 CB CYS A 40 -5.385 -16.949 1.608 1.00 34.79 C ATOM 392 SG CYS A 40 -4.690 -16.784 -0.091 1.00 32.28 S ATOM 393 H CYS A 40 -3.674 -15.100 2.175 1.00 0.00 H ATOM 394 N LYS A 41 -7.364 -15.428 4.149 1.00 32.62 N ATOM 395 CA LYS A 41 -7.852 -15.826 5.464 1.00 32.30 C ATOM 396 C LYS A 41 -8.071 -17.333 5.439 1.00 27.25 C ATOM 397 O LYS A 41 -8.785 -17.826 4.555 1.00 27.88 O ATOM 398 CB LYS A 41 -9.141 -15.116 5.847 1.00 28.92 C ATOM 399 CG LYS A 41 -9.507 -15.387 7.286 1.00 30.97 C ATOM 400 CD LYS A 41 -10.801 -14.710 7.735 1.00 29.21 C ATOM 401 CE LYS A 41 -11.045 -15.055 9.208 1.00 31.96 C ATOM 402 NZ LYS A 41 -12.369 -14.621 9.700 1.00 31.85 N ATOM 403 HZ1 LYS A 41 -12.453 -13.589 9.602 1.00 0.00 H ATOM 404 HZ2 LYS A 41 -13.114 -15.085 9.142 1.00 0.00 H ATOM 405 HZ3 LYS A 41 -12.469 -14.885 10.701 1.00 0.00 H ATOM 406 H LYS A 41 -7.910 -14.777 3.549 1.00 0.00 H ATOM 407 N PRO A 42 -7.461 -18.096 6.346 1.00 27.90 N ATOM 408 CA PRO A 42 -7.512 -19.562 6.221 1.00 33.44 C ATOM 409 C PRO A 42 -8.903 -20.172 6.336 1.00 31.91 C ATOM 410 O PRO A 42 -9.244 -21.063 5.547 1.00 32.93 O ATOM 411 CB PRO A 42 -6.567 -20.042 7.332 1.00 34.17 C ATOM 412 CG PRO A 42 -5.709 -18.889 7.640 1.00 34.97 C ATOM 413 CD PRO A 42 -6.523 -17.662 7.393 1.00 35.96 C ATOM 414 N VAL A 43 -9.706 -19.751 7.315 1.00 27.32 N ATOM 415 CA VAL A 43 -11.053 -20.290 7.506 1.00 26.78 C ATOM 416 C VAL A 43 -12.002 -19.147 7.835 1.00 24.60 C ATOM 417 O VAL A 43 -11.605 -18.147 8.444 1.00 26.75 O ATOM 418 CB VAL A 43 -11.132 -21.360 8.617 1.00 29.79 C ATOM 419 CG1 VAL A 43 -10.193 -22.518 8.334 1.00 30.48 C ATOM 420 CG2 VAL A 43 -10.816 -20.746 9.953 1.00 30.12 C ATOM 421 H VAL A 43 -9.363 -19.015 7.964 1.00 0.00 H ATOM 422 N ASN A 44 -13.262 -19.295 7.417 1.00 22.23 N ATOM 423 CA ASN A 44 -14.264 -18.269 7.683 1.00 19.69 C ATOM 424 C ASN A 44 -15.653 -18.847 7.450 1.00 19.70 C ATOM 425 O ASN A 44 -15.842 -19.669 6.547 1.00 20.49 O ATOM 426 CB ASN A 44 -14.050 -17.048 6.787 1.00 21.11 C ATOM 427 CG ASN A 44 -14.925 -15.896 7.167 1.00 18.46 C ATOM 428 OD1 ASN A 44 -14.661 -15.197 8.168 1.00 22.51 O ATOM 429 ND2 ASN A 44 -15.959 -15.652 6.366 1.00 18.17 N ATOM 430 HD22 ASN A 44 -16.136 -16.264 5.544 1.00 0.00 H ATOM 431 HD21 ASN A 44 -16.590 -14.849 6.562 1.00 0.00 H ATOM 432 H ASN A 44 -13.532 -20.153 6.895 1.00 0.00 H ATOM 433 N THR A 45 -16.624 -18.436 8.274 1.00 17.89 N ATOM 434 CA THR A 45 -17.996 -18.922 8.141 1.00 16.54 C ATOM 435 C THR A 45 -18.980 -17.800 7.822 1.00 16.05 C ATOM 436 O THR A 45 -18.903 -16.701 8.388 1.00 16.47 O ATOM 437 CB THR A 45 -18.432 -19.607 9.435 1.00 17.31 C ATOM 438 OG1 THR A 45 -17.560 -20.713 9.661 1.00 20.54 O ATOM 439 CG2 THR A 45 -19.869 -20.122 9.324 1.00 20.49 C ATOM 440 HG1 THR A 45 -16.629 -20.386 9.742 1.00 0.00 H ATOM 441 H THR A 45 -16.397 -17.755 9.027 1.00 0.00 H ATOM 442 N PHE A 46 -19.933 -18.101 6.933 1.00 16.00 N ATOM 443 CA PHE A 46 -21.016 -17.198 6.578 1.00 14.90 C ATOM 444 C PHE A 46 -22.343 -17.781 7.050 1.00 16.27 C ATOM 445 O PHE A 46 -22.585 -18.989 6.919 1.00 20.09 O ATOM 446 CB PHE A 46 -21.049 -16.976 5.057 1.00 21.81 C ATOM 447 CG PHE A 46 -19.863 -16.199 4.532 1.00 22.16 C ATOM 448 CD1 PHE A 46 -19.828 -14.816 4.597 1.00 21.91 C ATOM 449 CD2 PHE A 46 -18.783 -16.858 3.974 1.00 19.41 C ATOM 450 CE1 PHE A 46 -18.731 -14.101 4.112 1.00 21.36 C ATOM 451 CE2 PHE A 46 -17.686 -16.135 3.484 1.00 19.30 C ATOM 452 CZ PHE A 46 -17.676 -14.764 3.555 1.00 18.94 C ATOM 453 H PHE A 46 -19.897 -19.032 6.470 1.00 0.00 H ATOM 454 N VAL A 47 -23.199 -16.919 7.599 1.00 15.75 N ATOM 455 CA VAL A 47 -24.479 -17.330 8.170 1.00 18.02 C ATOM 456 C VAL A 47 -25.596 -16.841 7.261 1.00 20.08 C ATOM 457 O VAL A 47 -25.722 -15.632 7.015 1.00 19.48 O ATOM 458 CB VAL A 47 -24.671 -16.791 9.600 1.00 14.63 C ATOM 459 CG1 VAL A 47 -25.991 -17.266 10.175 1.00 19.39 C ATOM 460 CG2 VAL A 47 -23.520 -17.221 10.489 1.00 15.59 C ATOM 461 H VAL A 47 -22.945 -15.911 7.622 1.00 0.00 H ATOM 462 N HIS A 48 -26.442 -17.778 6.840 1.00 20.15 N ATOM 463 CA HIS A 48 -27.586 -17.509 5.955 1.00 21.58 C ATOM 464 C HIS A 48 -28.879 -17.455 6.756 1.00 25.18 C ATOM 465 O HIS A 48 -29.776 -18.298 6.599 1.00 25.47 O ATOM 466 CB HIS A 48 -27.695 -18.592 4.888 1.00 22.08 C ATOM 467 CG HIS A 48 -26.410 -18.894 4.188 1.00 23.11 C ATOM 468 ND1 HIS A 48 -25.761 -17.974 3.392 1.00 27.90 N ATOM 469 CD2 HIS A 48 -25.651 -20.015 4.164 1.00 21.73 C ATOM 470 CE1 HIS A 48 -24.661 -18.519 2.904 1.00 28.85 C ATOM 471 NE2 HIS A 48 -24.575 -19.761 3.350 1.00 25.28 N ATOM 472 H HIS A 48 -26.285 -18.757 7.155 1.00 0.00 H ATOM 473 N GLU A 49 -28.928 -16.486 7.661 1.00 22.02 N ATOM 474 CA GLU A 49 -30.115 -16.165 8.432 1.00 19.14 C ATOM 475 C GLU A 49 -30.213 -14.653 8.471 1.00 20.18 C ATOM 476 O GLU A 49 -29.268 -13.944 8.112 1.00 22.11 O ATOM 477 CB GLU A 49 -30.025 -16.722 9.866 1.00 21.29 C ATOM 478 CG GLU A 49 -29.762 -18.204 9.931 1.00 18.49 C ATOM 479 CD GLU A 49 -30.931 -19.060 9.462 1.00 23.89 C ATOM 480 OE1 GLU A 49 -32.058 -18.530 9.357 1.00 26.42 O ATOM 481 OE2 GLU A 49 -30.703 -20.267 9.193 1.00 22.82 O ATOM 482 H GLU A 49 -28.068 -15.925 7.827 1.00 0.00 H ATOM 483 N SER A 50 -31.371 -14.154 8.892 1.00 20.44 N ATOM 484 CA SER A 50 -31.559 -12.715 8.992 1.00 20.31 C ATOM 485 C SER A 50 -30.627 -12.099 10.030 1.00 23.25 C ATOM 486 O SER A 50 -30.223 -12.740 11.003 1.00 19.57 O ATOM 487 CB SER A 50 -33.003 -12.394 9.354 1.00 20.16 C ATOM 488 OG SER A 50 -33.301 -12.683 10.710 1.00 22.23 O ATOM 489 HG SER A 50 -34.247 -12.458 10.894 1.00 0.00 H ATOM 490 H SER A 50 -32.147 -14.796 9.151 1.00 0.00 H ATOM 491 N LEU A 51 -30.289 -10.826 9.817 1.00 21.13 N ATOM 492 CA LEU A 51 -29.480 -10.121 10.802 1.00 19.75 C ATOM 493 C LEU A 51 -30.136 -10.159 12.179 1.00 20.00 C ATOM 494 O LEU A 51 -29.456 -10.310 13.197 1.00 17.75 O ATOM 495 CB LEU A 51 -29.267 -8.665 10.380 1.00 24.04 C ATOM 496 CG LEU A 51 -28.339 -7.872 11.313 1.00 23.07 C ATOM 497 CD1 LEU A 51 -26.938 -8.491 11.424 1.00 20.84 C ATOM 498 CD2 LEU A 51 -28.249 -6.406 10.876 1.00 26.51 C ATOM 499 H LEU A 51 -30.601 -10.340 8.952 1.00 0.00 H ATOM 500 N ALA A 52 -31.452 -9.983 12.239 1.00 21.57 N ATOM 501 CA ALA A 52 -32.103 -9.951 13.544 1.00 18.72 C ATOM 502 C ALA A 52 -31.979 -11.302 14.251 1.00 20.49 C ATOM 503 O ALA A 52 -31.767 -11.353 15.477 1.00 18.36 O ATOM 504 CB ALA A 52 -33.564 -9.527 13.394 1.00 22.74 C ATOM 505 H ALA A 52 -32.009 -9.870 11.368 1.00 0.00 H ATOM 506 N ASP A 53 -32.086 -12.405 13.497 1.00 17.96 N ATOM 507 CA ASP A 53 -31.950 -13.734 14.098 1.00 18.10 C ATOM 508 C ASP A 53 -30.543 -13.941 14.661 1.00 17.79 C ATOM 509 O ASP A 53 -30.380 -14.550 15.725 1.00 18.97 O ATOM 510 CB ASP A 53 -32.260 -14.831 13.068 1.00 19.38 C ATOM 511 CG ASP A 53 -33.752 -15.122 12.943 1.00 24.32 C ATOM 512 OD1 ASP A 53 -34.558 -14.462 13.629 1.00 27.72 O ATOM 513 OD2 ASP A 53 -34.113 -16.027 12.158 1.00 26.18 O ATOM 514 H ASP A 53 -32.267 -12.317 12.477 1.00 0.00 H ATOM 515 N VAL A 54 -29.514 -13.474 13.943 1.00 16.73 N ATOM 516 CA VAL A 54 -28.147 -13.639 14.429 1.00 13.41 C ATOM 517 C VAL A 54 -27.882 -12.706 15.618 1.00 16.63 C ATOM 518 O VAL A 54 -27.252 -13.104 16.605 1.00 14.75 O ATOM 519 CB VAL A 54 -27.138 -13.452 13.274 1.00 13.58 C ATOM 520 CG1 VAL A 54 -25.701 -13.519 13.811 1.00 16.45 C ATOM 521 CG2 VAL A 54 -27.389 -14.524 12.231 1.00 16.86 C ATOM 522 H VAL A 54 -29.689 -12.993 13.038 1.00 0.00 H ATOM 523 N GLN A 55 -28.361 -11.459 15.549 1.00 17.65 N ATOM 524 CA GLN A 55 -28.226 -10.549 16.684 1.00 17.74 C ATOM 525 C GLN A 55 -28.905 -11.114 17.938 1.00 16.05 C ATOM 526 O GLN A 55 -28.420 -10.917 19.067 1.00 16.36 O ATOM 527 CB GLN A 55 -28.807 -9.181 16.307 1.00 19.92 C ATOM 528 CG GLN A 55 -27.951 -8.401 15.297 1.00 18.37 C ATOM 529 CD GLN A 55 -28.664 -7.145 14.816 1.00 19.06 C ATOM 530 OE1 GLN A 55 -29.905 -7.111 14.775 1.00 20.96 O ATOM 531 NE2 GLN A 55 -27.897 -6.127 14.436 1.00 21.96 N ATOM 532 HE22 GLN A 55 -26.862 -6.207 14.491 1.00 0.00 H ATOM 533 HE21 GLN A 55 -28.333 -5.251 14.084 1.00 0.00 H ATOM 534 H GLN A 55 -28.833 -11.135 14.681 1.00 0.00 H ATOM 535 N ALA A 56 -30.028 -11.812 17.757 1.00 15.90 N ATOM 536 CA ALA A 56 -30.774 -12.377 18.881 1.00 16.38 C ATOM 537 C ALA A 56 -29.969 -13.422 19.639 1.00 17.36 C ATOM 538 O ALA A 56 -30.300 -13.716 20.795 1.00 15.39 O ATOM 539 CB ALA A 56 -32.065 -13.009 18.378 1.00 19.69 C ATOM 540 H ALA A 56 -30.382 -11.958 16.790 1.00 0.00 H ATOM 541 N VAL A 57 -28.935 -13.991 19.003 1.00 13.71 N ATOM 542 CA VAL A 57 -28.099 -14.990 19.654 1.00 15.24 C ATOM 543 C VAL A 57 -27.418 -14.406 20.886 1.00 14.43 C ATOM 544 O VAL A 57 -27.140 -15.131 21.850 1.00 13.19 O ATOM 545 CB VAL A 57 -27.124 -15.659 18.644 1.00 11.33 C ATOM 546 CG1 VAL A 57 -26.228 -16.695 19.339 1.00 14.71 C ATOM 547 CG2 VAL A 57 -27.931 -16.363 17.522 1.00 13.41 C ATOM 548 H VAL A 57 -28.725 -13.713 18.023 1.00 0.00 H ATOM 549 N CYS A 58 -27.178 -13.087 20.910 1.00 11.95 N ATOM 550 CA CYS A 58 -26.526 -12.470 22.072 1.00 13.20 C ATOM 551 C CYS A 58 -27.365 -12.535 23.349 1.00 12.70 C ATOM 552 O CYS A 58 -26.854 -12.196 24.428 1.00 14.19 O ATOM 553 CB CYS A 58 -26.202 -11.000 21.787 1.00 15.58 C ATOM 554 SG CYS A 58 -24.994 -10.738 20.435 1.00 15.11 S ATOM 555 H CYS A 58 -27.456 -12.497 20.100 1.00 0.00 H ATOM 556 N SER A 59 -28.642 -12.944 23.254 1.00 13.49 N ATOM 557 CA SER A 59 -29.487 -13.139 24.426 1.00 13.91 C ATOM 558 C SER A 59 -29.835 -14.608 24.641 1.00 16.04 C ATOM 559 O SER A 59 -30.697 -14.926 25.468 1.00 16.97 O ATOM 560 CB SER A 59 -30.750 -12.296 24.310 1.00 18.57 C ATOM 561 OG SER A 59 -31.583 -12.846 23.307 1.00 26.97 O ATOM 562 HG SER A 59 -31.101 -12.845 22.442 1.00 0.00 H ATOM 563 H SER A 59 -29.041 -13.128 22.311 1.00 0.00 H ATOM 564 N GLN A 60 -29.133 -15.522 23.966 1.00 14.16 N ATOM 565 CA GLN A 60 -29.433 -16.946 24.038 1.00 12.79 C ATOM 566 C GLN A 60 -28.440 -17.663 24.967 1.00 12.90 C ATOM 567 O GLN A 60 -28.196 -17.138 26.054 1.00 15.77 O ATOM 568 CB GLN A 60 -29.557 -17.500 22.621 1.00 11.79 C ATOM 569 CG GLN A 60 -30.723 -16.786 21.905 1.00 14.68 C ATOM 570 CD GLN A 60 -30.969 -17.282 20.484 1.00 16.81 C ATOM 571 OE1 GLN A 60 -30.470 -18.330 20.052 1.00 16.20 O ATOM 572 NE2 GLN A 60 -31.766 -16.517 19.749 1.00 20.48 N ATOM 573 HE22 GLN A 60 -32.164 -15.644 20.151 1.00 0.00 H ATOM 574 HE21 GLN A 60 -31.992 -16.790 18.771 1.00 0.00 H ATOM 575 H GLN A 60 -28.344 -15.206 23.367 1.00 0.00 H ATOM 576 N LYS A 61 -27.905 -18.844 24.620 1.00 14.82 N ATOM 577 CA LYS A 61 -27.227 -19.671 25.632 1.00 13.67 C ATOM 578 C LYS A 61 -25.792 -19.176 25.871 1.00 11.93 C ATOM 579 O LYS A 61 -24.950 -19.287 24.989 1.00 12.78 O ATOM 580 CB LYS A 61 -27.223 -21.139 25.227 1.00 13.26 C ATOM 581 CG LYS A 61 -26.592 -22.039 26.279 1.00 15.67 C ATOM 582 CD LYS A 61 -26.377 -23.449 25.759 1.00 21.12 C ATOM 583 CE LYS A 61 -25.833 -24.340 26.855 1.00 29.62 C ATOM 584 NZ LYS A 61 -25.808 -25.763 26.398 1.00 29.93 N ATOM 585 HZ1 LYS A 61 -26.774 -26.066 26.160 1.00 0.00 H ATOM 586 HZ2 LYS A 61 -25.200 -25.845 25.558 1.00 0.00 H ATOM 587 HZ3 LYS A 61 -25.433 -26.364 27.159 1.00 0.00 H ATOM 588 H LYS A 61 -27.969 -19.175 23.636 1.00 0.00 H ATOM 589 N ASN A 62 -25.499 -18.673 27.060 1.00 14.04 N ATOM 590 CA ASN A 62 -24.153 -18.215 27.400 1.00 11.15 C ATOM 591 C ASN A 62 -23.213 -19.411 27.577 1.00 13.09 C ATOM 592 O ASN A 62 -23.515 -20.351 28.337 1.00 15.16 O ATOM 593 CB ASN A 62 -24.227 -17.390 28.699 1.00 13.29 C ATOM 594 CG ASN A 62 -22.960 -16.585 29.021 1.00 13.99 C ATOM 595 OD1 ASN A 62 -22.729 -16.277 30.197 1.00 17.14 O ATOM 596 ND2 ASN A 62 -22.151 -16.238 28.014 1.00 14.80 N ATOM 597 HD22 ASN A 62 -22.384 -16.518 27.040 1.00 0.00 H ATOM 598 HD21 ASN A 62 -21.289 -15.688 28.205 1.00 0.00 H ATOM 599 H ASN A 62 -26.251 -18.601 27.775 1.00 0.00 H ATOM 600 N VAL A 63 -22.095 -19.384 26.837 1.00 10.99 N ATOM 601 CA VAL A 63 -21.074 -20.437 26.848 1.00 13.00 C ATOM 602 C VAL A 63 -19.698 -19.785 26.850 1.00 13.50 C ATOM 603 O VAL A 63 -19.523 -18.651 26.409 1.00 13.96 O ATOM 604 CB VAL A 63 -21.182 -21.369 25.621 1.00 13.44 C ATOM 605 CG1 VAL A 63 -22.540 -22.119 25.628 1.00 14.99 C ATOM 606 CG2 VAL A 63 -20.962 -20.600 24.317 1.00 12.70 C ATOM 607 H VAL A 63 -21.942 -18.564 26.216 1.00 0.00 H ATOM 608 N ALA A 64 -18.695 -20.530 27.314 1.00 12.89 N ATOM 609 CA ALA A 64 -17.345 -19.982 27.310 1.00 12.23 C ATOM 610 C ALA A 64 -16.847 -19.818 25.875 1.00 12.23 C ATOM 611 O ALA A 64 -17.131 -20.642 24.995 1.00 12.96 O ATOM 612 CB ALA A 64 -16.401 -20.909 28.080 1.00 12.56 C ATOM 613 H ALA A 64 -18.874 -21.489 27.674 1.00 0.00 H ATOM 614 N CYS A 65 -16.104 -18.743 25.636 1.00 12.89 N ATOM 615 CA CYS A 65 -15.447 -18.559 24.347 1.00 11.94 C ATOM 616 C CYS A 65 -14.153 -19.363 24.290 1.00 11.33 C ATOM 617 O CYS A 65 -13.537 -19.656 25.306 1.00 14.93 O ATOM 618 CB CYS A 65 -15.031 -17.092 24.171 1.00 12.85 C ATOM 619 SG CYS A 65 -16.371 -15.879 24.335 1.00 14.87 S ATOM 620 H CYS A 65 -15.989 -18.023 26.378 1.00 0.00 H ATOM 621 N LYS A 66 -13.719 -19.663 23.064 1.00 13.60 N ATOM 622 CA LYS A 66 -12.480 -20.425 22.900 1.00 12.04 C ATOM 623 C LYS A 66 -11.288 -19.730 23.551 1.00 14.71 C ATOM 624 O LYS A 66 -10.396 -20.409 24.075 1.00 16.42 O ATOM 625 CB LYS A 66 -12.208 -20.649 21.413 1.00 13.89 C ATOM 626 CG LYS A 66 -13.064 -21.728 20.785 1.00 12.84 C ATOM 627 CD LYS A 66 -12.842 -21.796 19.263 1.00 19.01 C ATOM 628 CE LYS A 66 -13.702 -22.897 18.604 1.00 22.78 C ATOM 629 NZ LYS A 66 -13.634 -22.846 17.102 1.00 29.96 N ATOM 630 HZ1 LYS A 66 -13.980 -21.923 16.772 1.00 0.00 H ATOM 631 HZ2 LYS A 66 -12.649 -22.978 16.796 1.00 0.00 H ATOM 632 HZ3 LYS A 66 -14.226 -23.603 16.704 1.00 0.00 H ATOM 633 H LYS A 66 -14.259 -19.357 22.229 1.00 0.00 H ATOM 634 N ASN A 67 -11.288 -18.388 23.599 1.00 17.63 N ATOM 635 CA ASN A 67 -10.188 -17.670 24.227 1.00 19.73 C ATOM 636 C ASN A 67 -10.321 -17.564 25.742 1.00 15.88 C ATOM 637 O ASN A 67 -9.458 -16.943 26.379 1.00 19.27 O ATOM 638 CB ASN A 67 -10.024 -16.278 23.585 1.00 18.23 C ATOM 639 CG ASN A 67 -11.116 -15.288 23.997 1.00 19.39 C ATOM 640 OD1 ASN A 67 -12.094 -15.637 24.634 1.00 17.15 O ATOM 641 ND2 ASN A 67 -10.928 -14.017 23.624 1.00 25.07 N ATOM 642 HD22 ASN A 67 -10.081 -13.754 23.081 1.00 0.00 H ATOM 643 HD21 ASN A 67 -11.629 -13.292 23.877 1.00 0.00 H ATOM 644 H ASN A 67 -12.080 -17.857 23.184 1.00 0.00 H ATOM 645 N GLY A 68 -11.376 -18.126 26.340 1.00 13.38 N ATOM 646 CA GLY A 68 -11.571 -18.093 27.772 1.00 13.39 C ATOM 647 C GLY A 68 -12.410 -16.947 28.293 1.00 12.59 C ATOM 648 O GLY A 68 -12.735 -16.917 29.484 1.00 16.56 O ATOM 649 H GLY A 68 -12.086 -18.607 25.751 1.00 0.00 H ATOM 650 N GLN A 69 -12.760 -15.993 27.440 1.00 15.70 N ATOM 651 CA GLN A 69 -13.693 -14.974 27.851 1.00 15.60 C ATOM 652 C GLN A 69 -15.081 -15.577 27.985 1.00 17.61 C ATOM 653 O GLN A 69 -15.340 -16.698 27.528 1.00 16.48 O ATOM 654 CB GLN A 69 -13.718 -13.856 26.818 1.00 17.07 C ATOM 655 CG GLN A 69 -12.364 -13.099 26.704 1.00 20.86 C ATOM 656 CD GLN A 69 -12.516 -11.774 25.934 1.00 28.59 C ATOM 657 OE1 GLN A 69 -11.936 -11.601 24.864 1.00 35.89 O ATOM 658 NE2 GLN A 69 -13.370 -10.869 26.449 1.00 35.88 N ATOM 659 HE22 GLN A 69 -13.840 -11.056 27.358 1.00 0.00 H ATOM 660 HE21 GLN A 69 -13.560 -9.983 25.938 1.00 0.00 H ATOM 661 H GLN A 69 -12.363 -15.980 26.479 1.00 0.00 H ATOM 662 N THR A 70 -15.967 -14.840 28.654 1.00 14.53 N ATOM 663 CA THR A 70 -17.278 -15.343 29.058 1.00 11.58 C ATOM 664 C THR A 70 -18.412 -14.807 28.206 1.00 14.93 C ATOM 665 O THR A 70 -19.578 -15.108 28.491 1.00 15.37 O ATOM 666 CB THR A 70 -17.575 -15.049 30.544 1.00 16.73 C ATOM 667 OG1 THR A 70 -17.669 -13.631 30.734 1.00 20.38 O ATOM 668 CG2 THR A 70 -16.483 -15.594 31.465 1.00 20.63 C ATOM 669 HG1 THR A 70 -18.400 -13.271 30.171 1.00 0.00 H ATOM 670 H THR A 70 -15.714 -13.862 28.900 1.00 0.00 H ATOM 671 N ASN A 71 -18.118 -14.017 27.186 1.00 12.41 N ATOM 672 CA ASN A 71 -19.161 -13.311 26.445 1.00 10.75 C ATOM 673 C ASN A 71 -19.542 -14.010 25.149 1.00 12.09 C ATOM 674 O ASN A 71 -19.810 -13.359 24.142 1.00 12.05 O ATOM 675 CB ASN A 71 -18.729 -11.866 26.167 1.00 12.68 C ATOM 676 CG ASN A 71 -17.497 -11.778 25.308 1.00 14.67 C ATOM 677 OD1 ASN A 71 -16.506 -12.491 25.548 1.00 15.65 O ATOM 678 ND2 ASN A 71 -17.509 -10.887 24.312 1.00 12.62 N ATOM 679 HD22 ASN A 71 -18.356 -10.309 24.142 1.00 0.00 H ATOM 680 HD21 ASN A 71 -16.671 -10.772 23.707 1.00 0.00 H ATOM 681 H ASN A 71 -17.124 -13.896 26.906 1.00 0.00 H ATOM 682 N CYS A 72 -19.606 -15.342 25.147 1.00 10.13 N ATOM 683 CA CYS A 72 -20.060 -16.054 23.951 1.00 10.08 C ATOM 684 C CYS A 72 -21.446 -16.660 24.145 1.00 9.77 C ATOM 685 O CYS A 72 -21.889 -16.947 25.270 1.00 11.87 O ATOM 686 CB CYS A 72 -19.061 -17.155 23.567 1.00 9.65 C ATOM 687 SG CYS A 72 -17.594 -16.407 22.772 1.00 12.55 S ATOM 688 H CYS A 72 -19.333 -15.876 25.997 1.00 0.00 H ATOM 689 N TYR A 73 -22.142 -16.830 23.016 1.00 11.11 N ATOM 690 CA TYR A 73 -23.539 -17.244 23.045 1.00 10.98 C ATOM 691 C TYR A 73 -23.795 -18.228 21.926 1.00 9.67 C ATOM 692 O TYR A 73 -23.359 -18.006 20.791 1.00 11.86 O ATOM 693 CB TYR A 73 -24.491 -16.029 22.938 1.00 11.73 C ATOM 694 CG TYR A 73 -24.251 -15.068 24.077 1.00 10.79 C ATOM 695 CD1 TYR A 73 -23.237 -14.130 23.996 1.00 11.45 C ATOM 696 CD2 TYR A 73 -24.972 -15.164 25.257 1.00 13.70 C ATOM 697 CE1 TYR A 73 -22.920 -13.297 25.035 1.00 12.60 C ATOM 698 CE2 TYR A 73 -24.666 -14.333 26.328 1.00 12.48 C ATOM 699 CZ TYR A 73 -23.647 -13.385 26.192 1.00 13.08 C ATOM 700 OH TYR A 73 -23.292 -12.515 27.228 1.00 17.10 O ATOM 701 HH TYR A 73 -22.553 -11.929 26.927 1.00 0.00 H ATOM 702 H TYR A 73 -21.678 -16.664 22.100 1.00 0.00 H ATOM 703 N GLN A 74 -24.483 -19.311 22.266 1.00 11.17 N ATOM 704 CA GLN A 74 -24.794 -20.377 21.321 1.00 12.09 C ATOM 705 C GLN A 74 -26.276 -20.297 20.955 1.00 13.73 C ATOM 706 O GLN A 74 -27.131 -20.164 21.837 1.00 13.79 O ATOM 707 CB GLN A 74 -24.472 -21.729 21.950 1.00 11.85 C ATOM 708 CG GLN A 74 -24.836 -22.907 21.064 1.00 13.17 C ATOM 709 CD GLN A 74 -24.282 -24.194 21.640 1.00 19.92 C ATOM 710 OE1 GLN A 74 -23.143 -24.234 22.092 1.00 22.37 O ATOM 711 NE2 GLN A 74 -25.095 -25.237 21.673 1.00 20.86 N ATOM 712 HE22 GLN A 74 -26.054 -25.161 21.278 1.00 0.00 H ATOM 713 HE21 GLN A 74 -24.775 -26.133 22.094 1.00 0.00 H ATOM 714 H GLN A 74 -24.814 -19.403 23.248 1.00 0.00 H ATOM 715 N SER A 75 -26.570 -20.363 19.663 1.00 13.27 N ATOM 716 CA SER A 75 -27.946 -20.238 19.203 1.00 12.12 C ATOM 717 C SER A 75 -28.761 -21.451 19.655 1.00 15.44 C ATOM 718 O SER A 75 -28.281 -22.586 19.642 1.00 14.91 O ATOM 719 CB SER A 75 -27.959 -20.117 17.664 1.00 15.57 C ATOM 720 OG SER A 75 -27.466 -21.297 17.041 1.00 16.10 O ATOM 721 HG SER A 75 -28.033 -22.067 17.299 1.00 0.00 H ATOM 722 H SER A 75 -25.808 -20.506 18.970 1.00 0.00 H ATOM 723 N TYR A 76 -30.017 -21.205 20.055 1.00 16.27 N ATOM 724 CA TYR A 76 -30.857 -22.329 20.461 1.00 15.85 C ATOM 725 C TYR A 76 -31.289 -23.152 19.257 1.00 20.33 C ATOM 726 O TYR A 76 -31.408 -24.377 19.356 1.00 18.89 O ATOM 727 CB TYR A 76 -32.098 -21.817 21.184 1.00 18.18 C ATOM 728 CG TYR A 76 -31.804 -21.250 22.544 1.00 15.77 C ATOM 729 CD1 TYR A 76 -31.167 -22.016 23.526 1.00 14.38 C ATOM 730 CD2 TYR A 76 -32.195 -19.957 22.867 1.00 16.01 C ATOM 731 CE1 TYR A 76 -30.886 -21.474 24.780 1.00 12.64 C ATOM 732 CE2 TYR A 76 -31.944 -19.433 24.123 1.00 15.34 C ATOM 733 CZ TYR A 76 -31.280 -20.200 25.069 1.00 13.90 C ATOM 734 OH TYR A 76 -30.990 -19.714 26.325 1.00 16.72 O ATOM 735 HH TYR A 76 -30.517 -20.410 26.846 1.00 0.00 H ATOM 736 H TYR A 76 -30.386 -20.233 20.076 1.00 0.00 H ATOM 737 N SER A 77 -31.497 -22.510 18.116 1.00 23.76 N ATOM 738 CA SER A 77 -31.835 -23.234 16.898 1.00 22.31 C ATOM 739 C SER A 77 -30.619 -23.421 16.004 1.00 25.71 C ATOM 740 O SER A 77 -29.625 -22.687 16.100 1.00 20.52 O ATOM 741 CB SER A 77 -32.957 -22.531 16.141 1.00 26.82 C ATOM 742 OG SER A 77 -34.159 -22.581 16.885 1.00 31.46 O ATOM 743 HG SER A 77 -34.877 -22.121 16.381 1.00 0.00 H ATOM 744 H SER A 77 -31.418 -21.473 18.090 1.00 0.00 H ATOM 745 N THR A 78 -30.679 -24.458 15.167 1.00 23.57 N ATOM 746 CA THR A 78 -29.674 -24.591 14.126 1.00 22.39 C ATOM 747 C THR A 78 -29.885 -23.504 13.078 1.00 19.86 C ATOM 748 O THR A 78 -30.996 -23.002 12.879 1.00 22.88 O ATOM 749 CB THR A 78 -29.730 -25.962 13.463 1.00 26.09 C ATOM 750 OG1 THR A 78 -30.942 -26.067 12.711 1.00 28.88 O ATOM 751 CG2 THR A 78 -29.683 -27.060 14.506 1.00 27.93 C ATOM 752 HG1 THR A 78 -30.962 -25.360 12.018 1.00 0.00 H ATOM 753 H THR A 78 -31.437 -25.164 15.259 1.00 0.00 H ATOM 754 N MET A 79 -28.788 -23.107 12.442 1.00 19.59 N ATOM 755 CA MET A 79 -28.800 -22.075 11.425 1.00 19.27 C ATOM 756 C MET A 79 -28.106 -22.589 10.177 1.00 18.24 C ATOM 757 O MET A 79 -27.189 -23.416 10.245 1.00 19.35 O ATOM 758 CB MET A 79 -28.057 -20.832 11.939 1.00 18.63 C ATOM 759 CG MET A 79 -28.772 -20.173 13.096 1.00 19.24 C ATOM 760 SD MET A 79 -28.137 -18.529 13.457 1.00 20.02 S ATOM 761 CE MET A 79 -29.437 -17.981 14.521 1.00 21.72 C ATOM 762 H MET A 79 -27.882 -23.556 12.685 1.00 0.00 H ATOM 763 N SER A 80 -28.549 -22.095 9.020 1.00 21.96 N ATOM 764 CA SER A 80 -27.881 -22.433 7.769 1.00 21.39 C ATOM 765 C SER A 80 -26.576 -21.636 7.672 1.00 19.57 C ATOM 766 O SER A 80 -26.586 -20.411 7.809 1.00 21.45 O ATOM 767 CB SER A 80 -28.801 -22.047 6.608 1.00 23.60 C ATOM 768 OG SER A 80 -28.134 -22.214 5.363 1.00 25.65 O ATOM 769 HG SER A 80 -28.744 -21.960 4.626 1.00 0.00 H ATOM 770 H SER A 80 -29.376 -21.465 9.010 1.00 0.00 H ATOM 771 N ILE A 81 -25.452 -22.336 7.471 1.00 19.93 N ATOM 772 CA ILE A 81 -24.129 -21.713 7.409 1.00 19.33 C ATOM 773 C ILE A 81 -23.349 -22.280 6.239 1.00 22.87 C ATOM 774 O ILE A 81 -23.669 -23.340 5.704 1.00 24.63 O ATOM 775 CB ILE A 81 -23.289 -21.899 8.695 1.00 18.26 C ATOM 776 CG1 ILE A 81 -22.933 -23.380 8.908 1.00 22.24 C ATOM 777 CG2 ILE A 81 -24.045 -21.287 9.883 1.00 21.68 C ATOM 778 CD1 ILE A 81 -21.860 -23.644 9.969 1.00 25.10 C ATOM 779 H ILE A 81 -25.522 -23.367 7.354 1.00 0.00 H ATOM 780 N THR A 82 -22.291 -21.563 5.866 1.00 21.06 N ATOM 781 CA THR A 82 -21.331 -22.033 4.875 1.00 21.14 C ATOM 782 C THR A 82 -19.941 -21.861 5.462 1.00 21.97 C ATOM 783 O THR A 82 -19.570 -20.755 5.876 1.00 21.53 O ATOM 784 CB THR A 82 -21.458 -21.255 3.569 1.00 25.20 C ATOM 785 OG1 THR A 82 -22.766 -21.454 3.016 1.00 25.03 O ATOM 786 CG2 THR A 82 -20.383 -21.723 2.579 1.00 27.38 C ATOM 787 HG1 THR A 82 -23.447 -21.133 3.659 1.00 0.00 H ATOM 788 H THR A 82 -22.143 -20.629 6.300 1.00 0.00 H ATOM 789 N ASP A 83 -19.198 -22.957 5.540 1.00 19.81 N ATOM 790 CA ASP A 83 -17.805 -22.920 5.965 1.00 23.48 C ATOM 791 C ASP A 83 -16.921 -22.795 4.730 1.00 25.83 C ATOM 792 O ASP A 83 -17.129 -23.498 3.734 1.00 24.46 O ATOM 793 CB ASP A 83 -17.408 -24.180 6.736 1.00 28.12 C ATOM 794 CG ASP A 83 -17.992 -24.225 8.132 1.00 36.70 C ATOM 795 OD1 ASP A 83 -18.128 -23.157 8.773 1.00 32.30 O ATOM 796 OD2 ASP A 83 -18.310 -25.342 8.594 1.00 37.86 O ATOM 797 H ASP A 83 -19.624 -23.872 5.290 1.00 0.00 H ATOM 798 N CYS A 84 -15.943 -21.892 4.792 1.00 23.05 N ATOM 799 CA CYS A 84 -14.952 -21.742 3.743 1.00 20.93 C ATOM 800 C CYS A 84 -13.595 -22.100 4.318 1.00 29.70 C ATOM 801 O CYS A 84 -13.222 -21.591 5.378 1.00 25.94 O ATOM 802 CB CYS A 84 -14.924 -20.295 3.258 1.00 20.07 C ATOM 803 SG CYS A 84 -16.482 -19.749 2.655 1.00 21.54 S ATOM 804 H CYS A 84 -15.888 -21.271 5.624 1.00 0.00 H ATOM 805 N ARG A 85 -12.869 -22.987 3.635 1.00 28.78 N ATOM 806 CA ARG A 85 -11.565 -23.450 4.093 1.00 31.64 C ATOM 807 C ARG A 85 -10.587 -23.431 2.930 1.00 33.33 C ATOM 808 O ARG A 85 -10.873 -23.985 1.862 1.00 31.55 O ATOM 809 CB ARG A 85 -11.651 -24.870 4.668 1.00 36.18 C ATOM 810 CG ARG A 85 -12.304 -24.926 6.037 1.00 43.41 C ATOM 811 CD ARG A 85 -12.039 -26.240 6.760 1.00 46.67 C ATOM 812 NE ARG A 85 -11.484 -25.982 8.089 1.00 50.48 N ATOM 813 CZ ARG A 85 -10.181 -25.901 8.350 1.00 47.53 C ATOM 814 NH1 ARG A 85 -9.293 -26.072 7.375 1.00 50.57 N ATOM 815 NH2 ARG A 85 -9.763 -25.646 9.585 1.00 47.66 N ATOM 816 HE ARG A 85 -12.149 -25.854 8.879 1.00 0.00 H ATOM 817 HH12 ARG A 85 -8.276 -26.008 7.581 1.00 0.00 H ATOM 818 HH11 ARG A 85 -9.616 -26.269 6.406 1.00 0.00 H ATOM 819 HH22 ARG A 85 -8.745 -25.583 9.787 1.00 0.00 H ATOM 820 HH21 ARG A 85 -10.454 -25.509 10.350 1.00 0.00 H ATOM 821 H ARG A 85 -13.248 -23.362 2.742 1.00 0.00 H ATOM 822 N GLU A 86 -9.439 -22.794 3.146 1.00 34.89 N ATOM 823 CA GLU A 86 -8.432 -22.666 2.102 1.00 33.30 C ATOM 824 C GLU A 86 -7.919 -24.041 1.679 1.00 37.11 C ATOM 825 O GLU A 86 -7.626 -24.901 2.516 1.00 38.68 O ATOM 826 CB GLU A 86 -7.270 -21.829 2.635 1.00 36.14 C ATOM 827 CG GLU A 86 -6.470 -21.169 1.545 1.00 38.08 C ATOM 828 CD GLU A 86 -5.197 -20.539 2.047 1.00 34.34 C ATOM 829 OE1 GLU A 86 -4.568 -19.818 1.247 1.00 33.82 O ATOM 830 OE2 GLU A 86 -4.834 -20.759 3.225 1.00 37.73 O ATOM 831 H GLU A 86 -9.257 -22.378 4.082 1.00 0.00 H ATOM 832 N THR A 87 -7.800 -24.243 0.366 1.00 37.59 N ATOM 833 CA THR A 87 -7.308 -25.508 -0.176 1.00 39.60 C ATOM 834 C THR A 87 -5.785 -25.574 -0.063 1.00 41.51 C ATOM 835 O THR A 87 -5.136 -24.764 0.609 1.00 43.01 O ATOM 836 CB THR A 87 -7.695 -25.648 -1.644 1.00 39.86 C ATOM 837 OG1 THR A 87 -7.022 -24.630 -2.400 1.00 41.95 O ATOM 838 CG2 THR A 87 -9.197 -25.521 -1.833 1.00 37.26 C ATOM 839 HG1 THR A 87 -7.268 -24.713 -3.355 1.00 0.00 H ATOM 840 H THR A 87 -8.064 -23.480 -0.290 1.00 0.00 H ATOM 841 N GLY A 88 -5.198 -26.556 -0.742 1.00 49.91 N ATOM 842 CA GLY A 88 -3.756 -26.654 -0.864 1.00 50.24 C ATOM 843 C GLY A 88 -3.235 -25.879 -2.057 1.00 46.53 C ATOM 844 O GLY A 88 -2.198 -25.213 -1.975 1.00 50.62 O ATOM 845 H GLY A 88 -5.792 -27.276 -1.200 1.00 0.00 H ATOM 846 N SER A 89 -3.969 -25.956 -3.172 1.00 46.90 N ATOM 847 CA SER A 89 -3.609 -25.209 -4.373 1.00 49.34 C ATOM 848 C SER A 89 -3.451 -23.722 -4.090 1.00 49.92 C ATOM 849 O SER A 89 -2.693 -23.032 -4.782 1.00 43.91 O ATOM 850 CB SER A 89 -4.712 -25.389 -5.418 1.00 51.22 C ATOM 851 OG SER A 89 -5.994 -25.085 -4.870 1.00 48.79 O ATOM 852 HG SER A 89 -6.178 -25.690 -4.108 1.00 0.00 H ATOM 853 H SER A 89 -4.815 -26.561 -3.184 1.00 0.00 H ATOM 854 N SER A 90 -4.144 -23.219 -3.069 1.00 46.29 N ATOM 855 CA SER A 90 -4.322 -21.785 -2.887 1.00 44.51 C ATOM 856 C SER A 90 -2.999 -21.094 -2.562 1.00 39.78 C ATOM 857 O SER A 90 -2.320 -21.454 -1.593 1.00 43.24 O ATOM 858 CB SER A 90 -5.338 -21.544 -1.774 1.00 40.22 C ATOM 859 OG SER A 90 -5.369 -20.174 -1.424 1.00 39.69 O ATOM 860 HG SER A 90 -4.473 -19.895 -1.110 1.00 0.00 H ATOM 861 H SER A 90 -4.571 -23.871 -2.380 1.00 0.00 H ATOM 862 N LYS A 91 -2.647 -20.091 -3.367 1.00 37.88 N ATOM 863 CA LYS A 91 -1.505 -19.225 -3.103 1.00 38.47 C ATOM 864 C LYS A 91 -1.934 -17.782 -3.326 1.00 36.37 C ATOM 865 O LYS A 91 -2.442 -17.442 -4.401 1.00 38.53 O ATOM 866 CB LYS A 91 -0.323 -19.576 -4.020 1.00 43.43 C ATOM 867 CG LYS A 91 0.433 -20.848 -3.620 1.00 41.14 C ATOM 868 CD LYS A 91 1.190 -20.646 -2.300 1.00 44.11 C ATOM 869 CE LYS A 91 1.549 -21.971 -1.631 1.00 48.43 C ATOM 870 NZ LYS A 91 1.584 -23.096 -2.618 1.00 52.93 N ATOM 871 HZ1 LYS A 91 0.649 -23.195 -3.062 1.00 0.00 H ATOM 872 HZ2 LYS A 91 2.296 -22.893 -3.348 1.00 0.00 H ATOM 873 HZ3 LYS A 91 1.831 -23.979 -2.127 1.00 0.00 H ATOM 874 H LYS A 91 -3.213 -19.919 -4.222 1.00 0.00 H ATOM 875 N TYR A 92 -1.711 -16.946 -2.312 1.00 34.88 N ATOM 876 CA TYR A 92 -2.169 -15.564 -2.314 1.00 39.56 C ATOM 877 C TYR A 92 -1.619 -14.816 -3.533 1.00 42.09 C ATOM 878 O TYR A 92 -0.505 -15.098 -3.983 1.00 38.17 O ATOM 879 CB TYR A 92 -1.690 -14.894 -1.022 1.00 38.81 C ATOM 880 CG TYR A 92 -1.846 -13.395 -0.976 1.00 40.50 C ATOM 881 CD1 TYR A 92 -3.019 -12.814 -0.502 1.00 40.37 C ATOM 882 CD2 TYR A 92 -0.823 -12.552 -1.401 1.00 42.02 C ATOM 883 CE1 TYR A 92 -3.175 -11.441 -0.457 1.00 43.53 C ATOM 884 CE2 TYR A 92 -0.966 -11.174 -1.355 1.00 44.48 C ATOM 885 CZ TYR A 92 -2.144 -10.624 -0.876 1.00 46.74 C ATOM 886 OH TYR A 92 -2.297 -9.258 -0.829 1.00 42.88 O ATOM 887 HH TYR A 92 -3.191 -9.040 -0.463 1.00 0.00 H ATOM 888 H TYR A 92 -1.188 -17.296 -1.484 1.00 0.00 H ATOM 889 N PRO A 93 -2.399 -13.871 -4.113 1.00 44.92 N ATOM 890 CA PRO A 93 -3.800 -13.620 -3.756 1.00 43.39 C ATOM 891 C PRO A 93 -4.765 -14.291 -4.719 1.00 44.07 C ATOM 892 O PRO A 93 -5.828 -13.739 -5.009 1.00 45.74 O ATOM 893 CB PRO A 93 -3.920 -12.110 -3.897 1.00 44.94 C ATOM 894 CG PRO A 93 -3.043 -11.815 -5.074 1.00 42.62 C ATOM 895 CD PRO A 93 -1.897 -12.827 -5.027 1.00 44.37 C ATOM 896 N ASN A 94 -4.383 -15.457 -5.235 1.00 37.81 N ATOM 897 CA ASN A 94 -5.352 -16.358 -5.852 1.00 41.56 C ATOM 898 C ASN A 94 -5.802 -17.393 -4.823 1.00 37.51 C ATOM 899 O ASN A 94 -5.551 -18.591 -4.928 1.00 39.32 O ATOM 900 CB ASN A 94 -4.777 -16.999 -7.110 1.00 37.54 C ATOM 901 CG ASN A 94 -4.560 -15.994 -8.222 1.00 45.90 C ATOM 902 OD1 ASN A 94 -5.218 -14.955 -8.268 1.00 51.32 O ATOM 903 ND2 ASN A 94 -3.623 -16.287 -9.114 1.00 43.40 N ATOM 904 HD22 ASN A 94 -3.091 -17.177 -9.036 1.00 0.00 H ATOM 905 HD21 ASN A 94 -3.420 -15.626 -9.891 1.00 0.00 H ATOM 906 H ASN A 94 -3.380 -15.730 -5.198 1.00 0.00 H ATOM 907 N CYS A 95 -6.451 -16.882 -3.782 1.00 36.03 N ATOM 908 CA CYS A 95 -6.879 -17.724 -2.678 1.00 34.97 C ATOM 909 C CYS A 95 -8.025 -18.624 -3.121 1.00 29.32 C ATOM 910 O CYS A 95 -9.005 -18.157 -3.705 1.00 32.15 O ATOM 911 CB CYS A 95 -7.317 -16.835 -1.517 1.00 33.27 C ATOM 912 SG CYS A 95 -6.030 -15.631 -1.031 1.00 34.05 S ATOM 913 H CYS A 95 -6.656 -15.863 -3.757 1.00 0.00 H ATOM 914 N ALA A 96 -7.896 -19.920 -2.844 1.00 30.85 N ATOM 915 CA ALA A 96 -8.863 -20.929 -3.259 1.00 31.82 C ATOM 916 C ALA A 96 -9.446 -21.606 -2.030 1.00 29.73 C ATOM 917 O ALA A 96 -8.716 -21.951 -1.098 1.00 31.37 O ATOM 918 CB ALA A 96 -8.205 -21.998 -4.141 1.00 37.54 C ATOM 919 H ALA A 96 -7.063 -20.228 -2.304 1.00 0.00 H ATOM 920 N TYR A 97 -10.759 -21.815 -2.043 1.00 28.68 N ATOM 921 CA TYR A 97 -11.457 -22.339 -0.881 1.00 28.38 C ATOM 922 C TYR A 97 -12.338 -23.522 -1.254 1.00 29.24 C ATOM 923 O TYR A 97 -12.885 -23.590 -2.359 1.00 31.86 O ATOM 924 CB TYR A 97 -12.329 -21.246 -0.242 1.00 24.12 C ATOM 925 CG TYR A 97 -11.499 -20.147 0.342 1.00 24.29 C ATOM 926 CD1 TYR A 97 -11.092 -19.071 -0.427 1.00 23.41 C ATOM 927 CD2 TYR A 97 -11.087 -20.211 1.665 1.00 26.88 C ATOM 928 CE1 TYR A 97 -10.297 -18.069 0.116 1.00 23.16 C ATOM 929 CE2 TYR A 97 -10.306 -19.220 2.217 1.00 26.97 C ATOM 930 CZ TYR A 97 -9.913 -18.161 1.449 1.00 27.63 C ATOM 931 OH TYR A 97 -9.135 -17.188 2.028 1.00 27.06 O ATOM 932 HH TYR A 97 -9.625 -16.784 2.787 1.00 0.00 H ATOM 933 H TYR A 97 -11.299 -21.598 -2.905 1.00 0.00 H ATOM 934 N LYS A 98 -12.478 -24.448 -0.305 1.00 29.70 N ATOM 935 CA LYS A 98 -13.535 -25.451 -0.352 1.00 32.62 C ATOM 936 C LYS A 98 -14.785 -24.886 0.320 1.00 29.38 C ATOM 937 O LYS A 98 -14.694 -24.286 1.398 1.00 31.43 O ATOM 938 CB LYS A 98 -13.082 -26.726 0.363 1.00 32.09 C ATOM 939 CG LYS A 98 -14.084 -27.858 0.274 1.00 38.41 C ATOM 940 CD LYS A 98 -14.168 -28.645 1.579 1.00 42.22 C ATOM 941 CE LYS A 98 -12.801 -28.865 2.230 1.00 47.44 C ATOM 942 NZ LYS A 98 -12.862 -29.906 3.311 1.00 49.21 N ATOM 943 HZ1 LYS A 98 -13.531 -29.601 4.047 1.00 0.00 H ATOM 944 HZ2 LYS A 98 -13.181 -30.808 2.904 1.00 0.00 H ATOM 945 HZ3 LYS A 98 -11.917 -30.027 3.728 1.00 0.00 H ATOM 946 H LYS A 98 -11.812 -24.455 0.494 1.00 0.00 H ATOM 947 N THR A 99 -15.941 -25.060 -0.327 1.00 30.40 N ATOM 948 CA THR A 99 -17.221 -24.553 0.160 1.00 28.58 C ATOM 949 C THR A 99 -18.022 -25.703 0.757 1.00 35.89 C ATOM 950 O THR A 99 -18.308 -26.684 0.063 1.00 34.80 O ATOM 951 CB THR A 99 -18.022 -23.932 -0.989 1.00 30.15 C ATOM 952 OG1 THR A 99 -17.350 -22.769 -1.478 1.00 30.84 O ATOM 953 CG2 THR A 99 -19.413 -23.537 -0.516 1.00 29.13 C ATOM 954 HG1 THR A 99 -17.262 -22.108 -0.746 1.00 0.00 H ATOM 955 H THR A 99 -15.929 -25.584 -1.225 1.00 0.00 H ATOM 956 N THR A 100 -18.409 -25.580 2.030 1.00 28.26 N ATOM 957 CA THR A 100 -19.207 -26.612 2.682 1.00 33.63 C ATOM 958 C THR A 100 -20.422 -25.994 3.354 1.00 31.59 C ATOM 959 O THR A 100 -20.282 -25.139 4.235 1.00 30.13 O ATOM 960 CB THR A 100 -18.405 -27.400 3.715 1.00 31.36 C ATOM 961 OG1 THR A 100 -17.215 -27.927 3.119 1.00 35.19 O ATOM 962 CG2 THR A 100 -19.254 -28.558 4.236 1.00 37.62 C ATOM 963 HG1 THR A 100 -16.661 -27.182 2.777 1.00 0.00 H ATOM 964 H THR A 100 -18.136 -24.732 2.566 1.00 0.00 H ATOM 965 N GLN A 101 -21.600 -26.475 2.981 1.00 27.51 N ATOM 966 CA GLN A 101 -22.864 -26.063 3.573 1.00 28.25 C ATOM 967 C GLN A 101 -23.196 -26.934 4.783 1.00 30.06 C ATOM 968 O GLN A 101 -22.892 -28.126 4.812 1.00 29.31 O ATOM 969 CB GLN A 101 -23.966 -26.205 2.527 1.00 29.99 C ATOM 970 CG GLN A 101 -25.344 -25.779 2.985 1.00 37.35 C ATOM 971 CD GLN A 101 -25.382 -24.371 3.561 1.00 31.72 C ATOM 972 OE1 GLN A 101 -24.599 -23.504 3.168 1.00 36.90 O ATOM 973 NE2 GLN A 101 -26.313 -24.137 4.487 1.00 31.38 N ATOM 974 HE22 GLN A 101 -26.952 -24.901 4.787 1.00 0.00 H ATOM 975 HE21 GLN A 101 -26.400 -23.191 4.909 1.00 0.00 H ATOM 976 H GLN A 101 -21.622 -27.187 2.223 1.00 0.00 H ATOM 977 N ALA A 102 -23.828 -26.332 5.789 1.00 26.57 N ATOM 978 CA ALA A 102 -24.196 -27.101 6.971 1.00 25.84 C ATOM 979 C ALA A 102 -25.311 -26.390 7.719 1.00 22.01 C ATOM 980 O ALA A 102 -25.613 -25.221 7.471 1.00 25.65 O ATOM 981 CB ALA A 102 -22.999 -27.347 7.895 1.00 30.15 C ATOM 982 H ALA A 102 -24.058 -25.319 5.731 1.00 0.00 H ATOM 983 N ASN A 103 -25.949 -27.133 8.616 1.00 23.91 N ATOM 984 CA ASN A 103 -26.958 -26.580 9.516 1.00 22.99 C ATOM 985 C ASN A 103 -26.514 -26.891 10.932 1.00 23.24 C ATOM 986 O ASN A 103 -26.508 -28.055 11.346 1.00 24.00 O ATOM 987 CB ASN A 103 -28.332 -27.168 9.217 1.00 26.33 C ATOM 988 CG ASN A 103 -28.832 -26.748 7.875 1.00 28.51 C ATOM 989 OD1 ASN A 103 -28.555 -27.406 6.872 1.00 36.42 O ATOM 990 ND2 ASN A 103 -29.539 -25.628 7.829 1.00 29.19 N ATOM 991 HD22 ASN A 103 -29.747 -25.108 8.705 1.00 0.00 H ATOM 992 HD21 ASN A 103 -29.886 -25.269 6.917 1.00 0.00 H ATOM 993 H ASN A 103 -25.722 -28.146 8.680 1.00 0.00 H ATOM 994 N LYS A 104 -26.104 -25.857 11.665 1.00 20.80 N ATOM 995 CA LYS A 104 -25.468 -26.068 12.957 1.00 20.42 C ATOM 996 C LYS A 104 -25.824 -24.901 13.858 1.00 17.91 C ATOM 997 O LYS A 104 -26.270 -23.847 13.399 1.00 19.18 O ATOM 998 CB LYS A 104 -23.933 -26.184 12.836 1.00 21.85 C ATOM 999 CG LYS A 104 -23.423 -27.433 12.086 1.00 25.59 C ATOM 1000 CD LYS A 104 -21.917 -27.390 11.889 1.00 28.73 C ATOM 1001 CE LYS A 104 -21.184 -28.002 13.079 1.00 33.08 C ATOM 1002 NZ LYS A 104 -19.688 -27.802 13.054 1.00 36.40 N ATOM 1003 HZ1 LYS A 104 -19.295 -28.239 12.196 1.00 0.00 H ATOM 1004 HZ2 LYS A 104 -19.476 -26.784 13.055 1.00 0.00 H ATOM 1005 HZ3 LYS A 104 -19.266 -28.246 13.894 1.00 0.00 H ATOM 1006 H LYS A 104 -26.240 -24.889 11.310 1.00 0.00 H ATOM 1007 N HIS A 105 -25.629 -25.106 15.161 1.00 17.56 N ATOM 1008 CA HIS A 105 -25.771 -24.007 16.100 1.00 16.01 C ATOM 1009 C HIS A 105 -24.532 -23.135 16.015 1.00 17.05 C ATOM 1010 O HIS A 105 -23.415 -23.644 15.921 1.00 22.06 O ATOM 1011 CB HIS A 105 -25.906 -24.561 17.511 1.00 19.02 C ATOM 1012 CG HIS A 105 -27.050 -25.519 17.663 1.00 19.26 C ATOM 1013 ND1 HIS A 105 -28.287 -25.125 18.126 1.00 20.45 N ATOM 1014 CD2 HIS A 105 -27.151 -26.841 17.382 1.00 22.22 C ATOM 1015 CE1 HIS A 105 -29.104 -26.166 18.123 1.00 19.89 C ATOM 1016 NE2 HIS A 105 -28.436 -27.221 17.690 1.00 22.49 N ATOM 1017 H HIS A 105 -25.375 -26.054 15.505 1.00 0.00 H ATOM 1018 N ILE A 106 -24.728 -21.819 15.981 1.00 14.74 N ATOM 1019 CA ILE A 106 -23.574 -20.922 15.922 1.00 15.06 C ATOM 1020 C ILE A 106 -23.224 -20.448 17.326 1.00 12.63 C ATOM 1021 O ILE A 106 -24.086 -20.381 18.219 1.00 13.86 O ATOM 1022 CB ILE A 106 -23.767 -19.742 14.954 1.00 14.54 C ATOM 1023 CG1 ILE A 106 -24.833 -18.757 15.454 1.00 15.39 C ATOM 1024 CG2 ILE A 106 -24.060 -20.285 13.556 1.00 19.71 C ATOM 1025 CD1 ILE A 106 -24.820 -17.420 14.703 1.00 16.69 C ATOM 1026 H ILE A 106 -25.693 -21.432 15.996 1.00 0.00 H ATOM 1027 N ILE A 107 -21.945 -20.116 17.535 1.00 12.72 N ATOM 1028 CA ILE A 107 -21.474 -19.493 18.774 1.00 11.34 C ATOM 1029 C ILE A 107 -20.793 -18.186 18.400 1.00 12.46 C ATOM 1030 O ILE A 107 -19.823 -18.195 17.631 1.00 13.34 O ATOM 1031 CB ILE A 107 -20.494 -20.393 19.544 1.00 10.70 C ATOM 1032 CG1 ILE A 107 -21.180 -21.720 19.907 1.00 12.96 C ATOM 1033 CG2 ILE A 107 -20.020 -19.696 20.825 1.00 12.59 C ATOM 1034 CD1 ILE A 107 -20.199 -22.740 20.550 1.00 13.73 C ATOM 1035 H ILE A 107 -21.253 -20.309 16.783 1.00 0.00 H ATOM 1036 N VAL A 108 -21.323 -17.066 18.905 1.00 11.44 N ATOM 1037 CA VAL A 108 -20.738 -15.757 18.622 1.00 13.03 C ATOM 1038 C VAL A 108 -20.366 -15.084 19.937 1.00 12.22 C ATOM 1039 O VAL A 108 -20.913 -15.402 20.995 1.00 12.83 O ATOM 1040 CB VAL A 108 -21.730 -14.890 17.821 1.00 14.15 C ATOM 1041 CG1 VAL A 108 -22.031 -15.552 16.465 1.00 13.38 C ATOM 1042 CG2 VAL A 108 -23.022 -14.673 18.646 1.00 13.49 C ATOM 1043 H VAL A 108 -22.167 -17.128 19.510 1.00 0.00 H ATOM 1044 N ALA A 109 -19.372 -14.197 19.880 1.00 11.04 N ATOM 1045 CA ALA A 109 -19.036 -13.312 20.998 1.00 10.32 C ATOM 1046 C ALA A 109 -19.733 -11.975 20.791 1.00 10.15 C ATOM 1047 O ALA A 109 -19.736 -11.437 19.680 1.00 13.21 O ATOM 1048 CB ALA A 109 -17.522 -13.054 21.097 1.00 13.88 C ATOM 1049 H ALA A 109 -18.812 -14.131 19.006 1.00 0.00 H ATOM 1050 N CYS A 110 -20.295 -11.425 21.871 1.00 12.05 N ATOM 1051 CA CYS A 110 -21.057 -10.178 21.759 1.00 13.93 C ATOM 1052 C CYS A 110 -20.454 -9.122 22.682 1.00 15.56 C ATOM 1053 O CYS A 110 -19.920 -9.440 23.755 1.00 11.22 O ATOM 1054 CB CYS A 110 -22.534 -10.414 22.119 1.00 13.04 C ATOM 1055 SG CYS A 110 -23.312 -11.664 21.125 1.00 12.75 S ATOM 1056 H CYS A 110 -20.191 -11.885 22.798 1.00 0.00 H ATOM 1057 N GLU A 111 -20.565 -7.848 22.272 1.00 12.37 N ATOM 1058 CA GLU A 111 -20.014 -6.726 23.034 1.00 12.95 C ATOM 1059 C GLU A 111 -20.838 -5.487 22.743 1.00 14.02 C ATOM 1060 O GLU A 111 -21.492 -5.398 21.701 1.00 13.50 O ATOM 1061 CB GLU A 111 -18.577 -6.371 22.635 1.00 12.56 C ATOM 1062 CG GLU A 111 -17.563 -7.422 23.031 1.00 13.12 C ATOM 1063 CD GLU A 111 -16.138 -7.020 22.769 1.00 20.94 C ATOM 1064 OE1 GLU A 111 -15.246 -7.577 23.445 1.00 25.02 O ATOM 1065 OE2 GLU A 111 -15.895 -6.209 21.862 1.00 22.58 O ATOM 1066 H GLU A 111 -21.061 -7.651 21.379 1.00 0.00 H ATOM 1067 N GLY A 112 -20.733 -4.499 23.637 1.00 13.62 N ATOM 1068 CA GLY A 112 -21.229 -3.157 23.372 1.00 12.42 C ATOM 1069 C GLY A 112 -22.636 -2.899 23.880 1.00 15.49 C ATOM 1070 O GLY A 112 -23.322 -3.756 24.447 1.00 14.32 O ATOM 1071 H GLY A 112 -20.282 -4.696 24.553 1.00 0.00 H ATOM 1072 N ASN A 113 -23.059 -1.655 23.651 1.00 19.72 N ATOM 1073 CA ASN A 113 -24.423 -1.214 23.929 1.00 19.02 C ATOM 1074 C ASN A 113 -24.882 -0.438 22.699 1.00 21.52 C ATOM 1075 O ASN A 113 -24.447 0.707 22.496 1.00 22.91 O ATOM 1076 CB ASN A 113 -24.475 -0.347 25.174 1.00 20.85 C ATOM 1077 CG ASN A 113 -25.880 -0.013 25.580 1.00 23.22 C ATOM 1078 OD1 ASN A 113 -26.853 -0.423 24.934 1.00 21.49 O ATOM 1079 ND2 ASN A 113 -26.003 0.729 26.669 1.00 28.29 N ATOM 1080 HD22 ASN A 113 -25.155 1.050 27.178 1.00 0.00 H ATOM 1081 HD21 ASN A 113 -26.948 0.991 27.016 1.00 0.00 H ATOM 1082 H ASN A 113 -22.386 -0.967 23.256 1.00 0.00 H ATOM 1083 N PRO A 114 -25.721 -1.034 21.847 1.00 21.28 N ATOM 1084 CA PRO A 114 -26.407 -2.314 22.080 1.00 18.67 C ATOM 1085 C PRO A 114 -25.465 -3.536 22.002 1.00 17.88 C ATOM 1086 O PRO A 114 -24.404 -3.460 21.390 1.00 16.14 O ATOM 1087 CB PRO A 114 -27.407 -2.383 20.942 1.00 22.19 C ATOM 1088 CG PRO A 114 -26.755 -1.623 19.842 1.00 27.20 C ATOM 1089 CD PRO A 114 -25.999 -0.508 20.496 1.00 24.78 C ATOM 1090 N TYR A 115 -25.869 -4.624 22.650 1.00 16.04 N ATOM 1091 CA TYR A 115 -25.055 -5.838 22.763 1.00 14.08 C ATOM 1092 C TYR A 115 -25.257 -6.650 21.496 1.00 13.72 C ATOM 1093 O TYR A 115 -26.323 -7.237 21.289 1.00 16.81 O ATOM 1094 CB TYR A 115 -25.542 -6.623 23.971 1.00 12.85 C ATOM 1095 CG TYR A 115 -24.563 -7.647 24.570 1.00 12.62 C ATOM 1096 CD1 TYR A 115 -23.299 -7.247 24.977 1.00 12.66 C ATOM 1097 CD2 TYR A 115 -24.944 -8.973 24.787 1.00 13.58 C ATOM 1098 CE1 TYR A 115 -22.419 -8.137 25.574 1.00 14.54 C ATOM 1099 CE2 TYR A 115 -24.072 -9.872 25.392 1.00 12.79 C ATOM 1100 CZ TYR A 115 -22.827 -9.446 25.795 1.00 14.89 C ATOM 1101 OH TYR A 115 -21.950 -10.352 26.389 1.00 14.42 O ATOM 1102 HH TYR A 115 -22.362 -10.717 27.212 1.00 0.00 H ATOM 1103 H TYR A 115 -26.807 -4.614 23.098 1.00 0.00 H ATOM 1104 N VAL A 116 -24.220 -6.730 20.665 1.00 14.95 N ATOM 1105 CA VAL A 116 -24.352 -7.268 19.310 1.00 13.03 C ATOM 1106 C VAL A 116 -23.159 -8.170 18.990 1.00 12.66 C ATOM 1107 O VAL A 116 -22.119 -8.119 19.653 1.00 12.27 O ATOM 1108 CB VAL A 116 -24.438 -6.139 18.267 1.00 18.59 C ATOM 1109 CG1 VAL A 116 -25.781 -5.408 18.406 1.00 17.50 C ATOM 1110 CG2 VAL A 116 -23.263 -5.197 18.415 1.00 17.07 C ATOM 1111 H VAL A 116 -23.288 -6.400 20.988 1.00 0.00 H ATOM 1112 N PRO A 117 -23.296 -9.021 17.972 1.00 13.43 N ATOM 1113 CA PRO A 117 -22.187 -9.925 17.646 1.00 12.78 C ATOM 1114 C PRO A 117 -20.975 -9.162 17.112 1.00 12.00 C ATOM 1115 O PRO A 117 -21.100 -8.282 16.257 1.00 15.98 O ATOM 1116 CB PRO A 117 -22.786 -10.834 16.565 1.00 13.57 C ATOM 1117 CG PRO A 117 -24.305 -10.737 16.740 1.00 16.09 C ATOM 1118 CD PRO A 117 -24.516 -9.313 17.185 1.00 14.10 C ATOM 1119 N VAL A 118 -19.784 -9.526 17.594 1.00 13.12 N ATOM 1120 CA VAL A 118 -18.555 -8.902 17.092 1.00 14.54 C ATOM 1121 C VAL A 118 -17.531 -9.957 16.673 1.00 15.17 C ATOM 1122 O VAL A 118 -16.475 -9.622 16.124 1.00 17.17 O ATOM 1123 CB VAL A 118 -17.929 -7.920 18.109 1.00 15.71 C ATOM 1124 CG1 VAL A 118 -18.849 -6.734 18.399 1.00 15.41 C ATOM 1125 CG2 VAL A 118 -17.604 -8.624 19.432 1.00 16.05 C ATOM 1126 H VAL A 118 -19.727 -10.258 18.331 1.00 0.00 H ATOM 1127 N HIS A 119 -17.804 -11.234 16.932 1.00 13.63 N ATOM 1128 CA HIS A 119 -16.828 -12.260 16.584 1.00 15.24 C ATOM 1129 C HIS A 119 -17.570 -13.574 16.399 1.00 14.02 C ATOM 1130 O HIS A 119 -18.505 -13.881 17.156 1.00 14.87 O ATOM 1131 CB HIS A 119 -15.758 -12.358 17.692 1.00 18.89 C ATOM 1132 CG HIS A 119 -15.005 -13.654 17.743 1.00 18.21 C ATOM 1133 ND1 HIS A 119 -13.896 -13.902 16.960 1.00 23.18 N ATOM 1134 CD2 HIS A 119 -15.168 -14.754 18.526 1.00 19.40 C ATOM 1135 CE1 HIS A 119 -13.425 -15.108 17.236 1.00 23.47 C ATOM 1136 NE2 HIS A 119 -14.182 -15.647 18.180 1.00 21.02 N ATOM 1137 H HIS A 119 -18.705 -11.498 17.379 1.00 0.00 H ATOM 1138 N PHE A 120 -17.182 -14.325 15.362 1.00 13.88 N ATOM 1139 CA PHE A 120 -17.723 -15.667 15.159 1.00 12.95 C ATOM 1140 C PHE A 120 -16.780 -16.679 15.814 1.00 14.26 C ATOM 1141 O PHE A 120 -15.613 -16.783 15.424 1.00 16.25 O ATOM 1142 CB PHE A 120 -17.888 -15.960 13.663 1.00 13.99 C ATOM 1143 CG PHE A 120 -18.677 -17.194 13.404 1.00 15.62 C ATOM 1144 CD1 PHE A 120 -18.061 -18.438 13.431 1.00 16.87 C ATOM 1145 CD2 PHE A 120 -20.047 -17.119 13.203 1.00 17.06 C ATOM 1146 CE1 PHE A 120 -18.808 -19.580 13.219 1.00 18.35 C ATOM 1147 CE2 PHE A 120 -20.806 -18.273 13.018 1.00 16.42 C ATOM 1148 CZ PHE A 120 -20.185 -19.484 13.008 1.00 16.03 C ATOM 1149 H PHE A 120 -16.484 -13.948 14.690 1.00 0.00 H ATOM 1150 N ASP A 121 -17.269 -17.419 16.821 1.00 10.79 N ATOM 1151 CA ASP A 121 -16.353 -18.279 17.574 1.00 12.73 C ATOM 1152 C ASP A 121 -16.320 -19.731 17.099 1.00 14.37 C ATOM 1153 O ASP A 121 -15.238 -20.343 17.056 1.00 15.48 O ATOM 1154 CB ASP A 121 -16.695 -18.260 19.070 1.00 11.77 C ATOM 1155 CG ASP A 121 -15.490 -18.511 19.962 1.00 15.39 C ATOM 1156 OD1 ASP A 121 -14.436 -17.836 19.784 1.00 16.59 O ATOM 1157 OD2 ASP A 121 -15.620 -19.296 20.922 1.00 12.88 O ATOM 1158 H ASP A 121 -18.280 -17.383 17.062 1.00 0.00 H ATOM 1159 N ALA A 122 -17.467 -20.298 16.756 1.00 12.51 N ATOM 1160 CA ALA A 122 -17.539 -21.731 16.484 1.00 15.03 C ATOM 1161 C ALA A 122 -18.916 -22.072 15.945 1.00 16.36 C ATOM 1162 O ALA A 122 -19.859 -21.289 16.040 1.00 16.52 O ATOM 1163 CB ALA A 122 -17.274 -22.552 17.755 1.00 17.45 C ATOM 1164 H ALA A 122 -18.326 -19.716 16.680 1.00 0.00 H ATOM 1165 N SER A 123 -19.023 -23.271 15.361 1.00 15.24 N ATOM 1166 CA SER A 123 -20.320 -23.873 15.096 1.00 18.69 C ATOM 1167 C SER A 123 -20.286 -25.275 15.679 1.00 19.91 C ATOM 1168 O SER A 123 -19.237 -25.922 15.679 1.00 22.45 O ATOM 1169 CB SER A 123 -20.600 -23.956 13.600 1.00 21.66 C ATOM 1170 OG SER A 123 -19.669 -24.824 13.008 1.00 25.74 O ATOM 1171 HG SER A 123 -18.754 -24.477 13.158 1.00 0.00 H ATOM 1172 H SER A 123 -18.160 -23.784 15.091 1.00 0.00 H ATOM 1173 N VAL A 124 -21.419 -25.735 16.192 1.00 19.99 N ATOM 1174 CA VAL A 124 -21.472 -27.031 16.862 1.00 23.72 C ATOM 1175 C VAL A 124 -22.737 -27.769 16.497 1.00 23.16 C ATOM 1176 O VAL A 124 -23.727 -27.201 16.029 1.00 23.44 O ATOM 1177 CB VAL A 124 -21.360 -26.920 18.390 1.00 22.66 C ATOM 1178 CG1 VAL A 124 -20.011 -26.335 18.810 1.00 24.55 C ATOM 1179 CG2 VAL A 124 -22.511 -26.112 18.951 1.00 22.86 C ATOM 1180 OXT VAL A 124 -22.790 -28.974 16.724 1.00 28.55 O ATOM 1181 H VAL A 124 -22.284 -25.163 16.116 1.00 0.00 H TER 1182 VAL A 124 HETATM 1183 O HOH 1 -14.227 -12.990 23.638 1.00 18.19 O HETATM 1184 O HOH 2 -15.374 -10.503 22.229 1.00 18.60 O HETATM 1185 O HOH 3 -13.896 -14.559 21.475 1.00 18.50 O HETATM 1186 O HOH 4 -16.108 4.981 10.056 1.00 52.61 O HETATM 1187 O HOH 5 -14.354 -16.531 12.846 1.00 31.92 O HETATM 1188 O HOH 6 -12.768 -11.184 28.802 1.00 35.12 O HETATM 1189 O HOH 7 -15.261 -20.725 10.727 1.00 37.02 O HETATM 1190 O HOH 8 -20.951 -19.693 -9.259 1.00 37.74 O HETATM 1191 O HOH 9 -18.425 -23.215 11.393 1.00 33.59 O HETATM 1192 O HOH 10 -32.703 -9.577 17.153 1.00 26.29 O HETATM 1193 O HOH 11 -15.896 -7.902 14.232 1.00 26.34 O HETATM 1194 O HOH 12 -3.484 -18.157 3.807 1.00 35.59 O HETATM 1195 O HOH 13 -25.123 -12.222 29.094 1.00 30.11 O HETATM 1196 O HOH 14 -33.347 -16.234 9.489 1.00 24.12 O HETATM 1197 O HOH 15 -1.089 -25.936 0.307 1.00 53.94 O HETATM 1198 O HOH 16 -31.635 -17.207 26.867 1.00 18.94 O HETATM 1199 O HOH 17 -27.138 -27.567 4.643 1.00 38.19 O HETATM 1200 O HOH 18 -4.144 -20.624 -5.876 1.00 39.92 O HETATM 1201 O HOH 19 -35.906 -12.351 11.105 1.00 35.04 O HETATM 1202 O HOH 20 -12.684 -16.817 21.507 1.00 17.76 O HETATM 1203 O HOH 21 -22.914 -1.930 19.782 1.00 21.08 O HETATM 1204 O HOH 22 -31.643 -19.446 17.919 1.00 25.81 O HETATM 1205 O HOH 23 -27.944 -24.700 21.274 1.00 28.68 O HETATM 1206 O HOH 24 -16.812 -26.380 16.760 1.00 32.87 O HETATM 1207 O HOH 25 -12.099 -23.900 -4.925 1.00 36.43 O HETATM 1208 O HOH 26 -26.560 -3.107 11.335 1.00 34.46 O HETATM 1209 O HOH 27 -27.192 -11.792 27.081 1.00 26.44 O HETATM 1210 O HOH 28 -15.175 -26.269 3.801 1.00 33.40 O HETATM 1211 O HOH 29 -2.079 -17.931 6.502 1.00 39.71 O HETATM 1212 O HOH 30 -27.788 -8.255 19.237 1.00 23.41 O HETATM 1213 O HOH 31 -28.385 -15.174 27.937 1.00 33.93 O HETATM 1214 O HOH 32 -22.092 -0.173 13.456 1.00 36.98 O HETATM 1215 O HOH 33 -21.206 -25.972 22.935 1.00 21.53 O HETATM 1216 O HOH 34 -32.227 -16.211 16.890 1.00 21.20 O HETATM 1217 O HOH 35 -24.909 -15.879 31.816 1.00 20.74 O HETATM 1218 O HOH 36 -16.257 -1.056 17.055 1.00 34.91 O HETATM 1219 O HOH 37 -30.214 -21.600 28.165 1.00 18.01 O HETATM 1220 O HOH 38 -23.056 -30.882 4.969 1.00 45.80 O HETATM 1221 O HOH 39 -28.094 -9.398 7.165 1.00 28.11 O HETATM 1222 O HOH 40 -12.528 -15.242 31.691 1.00 28.97 O HETATM 1223 O HOH 41 -31.619 -6.951 16.958 1.00 30.00 O HETATM 1224 O HOH 42 -24.765 -3.329 26.787 1.00 21.01 O HETATM 1225 O HOH 43 -32.303 -22.544 9.247 1.00 29.21 O HETATM 1226 O HOH 44 -12.626 -7.784 22.498 1.00 29.10 O HETATM 1227 O HOH 45 -15.244 -22.019 -3.345 1.00 28.51 O HETATM 1228 O HOH 46 -20.035 -9.447 -0.919 1.00 33.87 O HETATM 1229 O HOH 47 -30.756 -25.163 5.350 1.00 40.43 O HETATM 1230 O HOH 48 -25.617 -7.932 7.513 1.00 32.50 O HETATM 1231 O HOH 49 -22.860 -7.440 14.218 1.00 18.89 O HETATM 1232 O HOH 50 -17.323 -12.155 33.129 1.00 30.42 O HETATM 1233 O HOH 51 -25.962 -28.866 15.498 1.00 31.64 O HETATM 1234 O HOH 52 -19.853 -12.047 29.848 1.00 26.15 O HETATM 1235 O HOH 53 -9.222 -22.795 23.069 1.00 26.39 O HETATM 1236 O HOH 54 -24.961 -5.711 14.019 1.00 23.97 O HETATM 1237 O HOH 55 -28.845 -7.535 22.592 1.00 26.96 O HETATM 1238 O HOH 56 -25.156 -20.380 30.680 1.00 32.64 O HETATM 1239 O HOH 57 -17.194 -21.358 22.135 1.00 13.01 O HETATM 1240 O HOH 58 -10.899 -15.951 -3.096 1.00 34.34 O HETATM 1241 O HOH 59 -28.408 -3.597 13.170 1.00 34.47 O HETATM 1242 O HOH 60 -23.499 -26.195 24.734 1.00 35.14 O HETATM 1243 O HOH 61 -25.421 -29.962 8.781 1.00 35.59 O HETATM 1244 O HOH 62 -18.044 -23.365 25.261 1.00 13.56 O HETATM 1245 O HOH 63 -20.515 -4.078 7.126 1.00 27.85 O HETATM 1246 O HOH 64 -8.618 -13.108 22.133 1.00 38.55 O HETATM 1247 O HOH 65 -23.284 -2.829 11.644 1.00 34.51 O HETATM 1248 O HOH 66 -8.954 -17.740 9.576 1.00 37.03 O HETATM 1249 O HOH 67 -12.560 -18.531 17.637 1.00 30.00 O HETATM 1250 O HOH 68 -16.101 -10.582 12.787 1.00 21.69 O HETATM 1251 O HOH 69 -15.437 -17.826 10.889 1.00 23.65 O HETATM 1252 O HOH 70 -28.362 -26.129 27.826 1.00 25.35 O HETATM 1253 O HOH 71 -33.674 -24.268 12.831 1.00 42.48 O HETATM 1254 O HOH 72 -17.298 -24.968 -10.074 1.00 28.91 O HETATM 1255 O HOH 73 -20.467 -3.563 19.610 1.00 20.59 O HETATM 1256 O HOH 74 -28.394 -4.326 24.198 1.00 30.18 O HETATM 1257 O HOH 75 -19.493 -2.377 17.266 1.00 27.37 O HETATM 1258 O HOH 76 -33.370 -14.350 21.406 1.00 26.48 O HETATM 1259 O HOH 77 -16.327 -24.531 14.882 1.00 26.23 O HETATM 1260 O HOH 78 -22.199 -22.683 29.759 1.00 27.36 O HETATM 1261 O HOH 79 -19.559 -22.670 29.287 1.00 17.67 O HETATM 1262 O HOH 80 -29.887 -10.042 21.617 1.00 27.82 O HETATM 1263 O HOH 81 1.914 -16.298 -2.519 1.00 34.06 O HETATM 1264 O HOH 82 -10.987 -8.317 7.135 1.00 35.99 O HETATM 1265 O HOH 83 -21.001 0.551 22.950 1.00 28.34 O HETATM 1266 O HOH 84 -13.384 -3.832 3.890 1.00 39.19 O HETATM 1267 O HOH 85 -26.208 -10.247 4.678 1.00 26.65 O HETATM 1268 O HOH 86 -32.369 -18.563 12.663 1.00 29.63 O HETATM 1269 O HOH 87 -16.222 4.281 13.936 1.00 47.37 O HETATM 1270 O HOH 88 -33.448 -25.869 15.575 1.00 39.31 O HETATM 1271 O HOH 89 -33.604 -18.035 6.664 1.00 39.81 O HETATM 1272 O HOH 90 -0.547 -16.436 8.178 1.00 45.56 O HETATM 1273 O HOH 91 -13.599 -3.245 14.015 1.00 40.49 O HETATM 1274 O HOH 92 -21.460 -15.039 -9.140 1.00 43.34 O HETATM 1275 O HOH 93 -32.671 -11.559 3.417 1.00 34.03 O HETATM 1276 O HOH 94 -21.145 -13.710 31.492 1.00 41.05 O HETATM 1277 O HOH 95 -23.544 -25.448 28.784 1.00 35.86 O HETATM 1278 O HOH 96 -12.271 -1.424 1.537 1.00 53.74 O HETATM 1279 O HOH 97 -32.323 -15.133 5.655 1.00 35.90 O HETATM 1280 O HOH 98 0.486 -7.504 -1.474 1.00 49.83 O HETATM 1281 O HOH 99 -19.524 0.962 10.709 1.00 38.36 O HETATM 1282 O HOH 100 -18.375 -18.267 29.974 1.00 21.69 O HETATM 1283 O HOH 101 -27.676 -2.862 15.747 1.00 30.00 O HETATM 1284 O HOH 102 -13.327 -6.745 15.306 1.00 42.70 O HETATM 1285 O HOH 103 -33.278 -26.201 9.925 1.00 45.24 O HETATM 1286 O HOH 104 -19.672 -13.399 -4.461 1.00 40.57 O HETATM 1287 O HOH 105 -16.384 -1.862 4.550 1.00 39.81 O HETATM 1288 O HOH 106 -21.772 0.606 19.877 1.00 36.34 O HETATM 1289 O HOH 107 -10.554 -17.138 20.012 1.00 28.93 O HETATM 1290 O HOH 108 -25.157 -3.419 15.273 1.00 23.78 O HETATM 1291 O HOH 109 -15.032 -21.316 13.184 1.00 42.13 O HETATM 1292 O HOH 110 -20.097 -19.348 30.986 1.00 33.41 O HETATM 1293 O HOH 111 -29.667 -6.112 19.089 1.00 34.33 O HETATM 1294 O HOH 112 -25.458 -32.218 16.684 1.00 37.59 O HETATM 1295 O HOH 113 -32.898 -18.699 15.558 1.00 28.19 O HETATM 1296 O HOH 114 -14.737 -13.643 -7.656 1.00 39.38 O HETATM 1297 O HOH 115 -29.282 -3.646 18.027 1.00 32.30 O HETATM 1298 O HOH 116 -23.643 -1.559 17.099 1.00 26.64 O HETATM 1299 O HOH 117 -17.542 -0.614 19.200 1.00 36.10 O HETATM 1300 O3 OZV A 118 -14.932 -13.027 13.913 1.00 -0.61 O HETATM 1301 P1 OZV A 118 -13.555 -13.138 13.315 1.00 0.34 P HETATM 1302 O OZV A 118 -12.679 -14.071 14.091 1.00 -0.12 O HETATM 1303 P02 OZV A 118 -11.432 -14.908 13.520 1.00 0.35 P HETATM 1304 O01 OZV A 118 -10.478 -13.998 12.796 1.00 -0.07 O HETATM 1305 P2 OZV A 118 -10.000 -12.580 13.064 1.00 0.52 P HETATM 1306 O03 OZV A 118 -10.451 -11.793 11.869 1.00 -0.53 O HETATM 1307 O3A OZV A 118 -8.497 -12.566 13.090 1.00 -0.08 O HETATM 1308 PA OZV A 118 -7.910 -13.526 14.231 1.00 0.31 P HETATM 1309 O1A OZV A 118 -8.513 -14.870 14.163 1.00 -0.61 O HETATM 1310 O2A OZV A 118 -6.328 -13.698 13.966 1.00 -0.61 O HETATM 1311 O5' OZV A 118 -8.100 -12.851 15.683 1.00 -0.25 O HETATM 1312 C5' OZV A 118 -9.252 -13.411 16.308 1.00 0.11 C HETATM 1313 C4' OZV A 118 -10.011 -12.268 16.972 1.00 0.12 C HETATM 1314 C3' OZV A 118 -9.237 -11.681 18.167 1.00 0.11 C HETATM 1315 C2' OZV A 118 -10.365 -10.834 18.795 1.00 0.14 C HETATM 1316 C1' OZV A 118 -11.635 -11.660 18.466 1.00 0.20 C HETATM 1317 N9 OZV A 118 -12.236 -12.232 19.668 1.00 -0.19 N HETATM 1318 C4 OZV A 118 -13.210 -11.654 20.429 1.00 0.16 C HETATM 1319 C5 OZV A 118 -13.473 -12.567 21.455 1.00 0.10 C HETATM 1320 C6 OZV A 118 -14.443 -12.214 22.401 1.00 0.13 C HETATM 1321 N1 OZV A 118 -15.069 -11.039 22.286 1.00 -0.27 N HETATM 1322 C2 OZV A 118 -14.786 -10.217 21.299 1.00 0.05 C HETATM 1323 N3 OZV A 118 -13.881 -10.506 20.389 1.00 -0.27 N HETATM 1324 H2 OZV A 118 -15.315 -9.273 21.233 1.00 0.10 H HETATM 1325 N6 OZV A 118 -14.723 -13.086 23.425 1.00 -0.32 N HETATM 1326 H3 OZV A 118 -15.434 -12.842 24.129 1.00 0.18 H HETATM 1327 H4 OZV A 118 -14.222 -13.984 23.488 1.00 0.18 H HETATM 1328 N7 OZV A 118 -12.674 -13.644 21.266 1.00 -0.30 N HETATM 1329 C8 OZV A 118 -11.941 -13.443 20.213 1.00 0.11 C HETATM 1330 H1 OZV A 118 -11.200 -14.140 19.824 1.00 0.13 H HETATM 1331 O4' OZV A 118 -11.214 -12.740 17.602 1.00 -0.34 O HETATM 1332 H5 OZV A 118 -12.372 -11.023 17.955 1.00 0.10 H HETATM 1333 O2' OZV A 118 -10.436 -9.550 18.173 1.00 -0.38 O HETATM 1334 H11 OZV A 118 -9.609 -9.097 18.289 1.00 0.21 H HETATM 1335 H6 OZV A 118 -10.227 -10.719 19.880 1.00 0.07 H HETATM 1336 O3' OZV A 118 -8.136 -10.887 17.727 1.00 -0.39 O HETATM 1337 H12 OZV A 118 -7.543 -11.425 17.216 1.00 0.21 H HETATM 1338 H7 OZV A 118 -8.878 -12.461 18.854 1.00 0.06 H HETATM 1339 H8 OZV A 118 -10.230 -11.493 16.223 1.00 0.07 H HETATM 1340 H9 OZV A 118 -9.889 -13.898 15.555 1.00 0.06 H HETATM 1341 H10 OZV A 118 -8.948 -14.150 17.064 1.00 0.06 H HETATM 1342 O4 OZV A 118 -10.599 -12.063 14.342 1.00 -0.07 O HETATM 1343 P01 OZV A 118 -11.852 -11.264 14.557 1.00 0.35 P HETATM 1344 O2 OZV A 118 -12.847 -11.822 13.580 1.00 -0.12 O HETATM 1345 O02 OZV A 118 -11.716 -9.804 14.214 1.00 -0.61 O HETATM 1346 O04 OZV A 118 -12.560 -11.441 15.867 1.00 -0.61 O HETATM 1347 O5 OZV A 118 -10.895 -15.532 14.783 1.00 -0.61 O HETATM 1348 O6 OZV A 118 -12.050 -15.951 12.634 1.00 -0.61 O HETATM 1349 O1 OZV A 118 -13.634 -13.487 11.858 1.00 -0.61 O CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 238 237 803 CONECT 392 391 912 CONECT 554 553 1055 CONECT 619 618 687 CONECT 687 619 686 CONECT 803 238 802 CONECT 912 392 911 CONECT 1055 554 1054 CONECT 1300 1301 CONECT 1301 1300 1302 1344 1349 CONECT 1302 1301 1303 CONECT 1303 1302 1304 1347 1348 CONECT 1304 1303 1305 CONECT 1305 1304 1306 1307 1342 CONECT 1306 1305 CONECT 1307 1305 1308 CONECT 1308 1307 1309 1310 1311 CONECT 1309 1308 CONECT 1310 1308 CONECT 1311 1308 1312 CONECT 1312 1311 1313 1340 1341 CONECT 1313 1312 1314 1331 1339 CONECT 1314 1313 1315 1336 1338 CONECT 1315 1314 1316 1333 1335 CONECT 1316 1315 1317 1331 1332 CONECT 1317 1316 1318 1329 CONECT 1318 1317 1319 1323 CONECT 1319 1318 1320 1328 CONECT 1320 1319 1321 1325 CONECT 1321 1320 1322 CONECT 1322 1321 1323 1324 CONECT 1323 1318 1322 CONECT 1324 1322 CONECT 1325 1320 1326 1327 CONECT 1326 1325 CONECT 1327 1325 CONECT 1328 1319 1329 CONECT 1329 1317 1328 1330 CONECT 1330 1329 CONECT 1331 1313 1316 CONECT 1332 1316 CONECT 1333 1315 1334 CONECT 1334 1333 CONECT 1335 1315 CONECT 1336 1314 1337 CONECT 1337 1336 CONECT 1338 1314 CONECT 1339 1313 CONECT 1340 1312 CONECT 1341 1312 CONECT 1342 1305 1343 CONECT 1343 1342 1344 1345 1346 CONECT 1344 1301 1343 CONECT 1345 1343 CONECT 1346 1343 CONECT 1347 1303 CONECT 1348 1303 CONECT 1349 1301 MASTER 0 0 0 0 0 0 0 0 1348 1 62 10 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: 6pvw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
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%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
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%
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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6pvw
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
RNase A
Ligand Name
OZV
EC.Number
E.C.4.6.1.18
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=0.48uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Am.Chem.Soc. Vol. 141: pp. 18400-18404
Ligand Properties
Formula
C
1
0
H
2
0
N
5
O
1
8
P
5
Molecular Weight
653.157
Exact Mass
652.949
No. of atoms
58
No. of bonds
61
Polar Surface Area
417.77
LOGP Value
-7.26 (
Computed with XLOGP3
)
-1.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 4
Canonical SMILES
O[C@@H]1[C@@H](COP(OP2(=O)OP(O)(O)OP(OP(O2)(O)O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H24N5O18P5/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-34(18,19)31-38(26)32-36(22,23)29-35(20,21)30-37(24,25)33-38/h2-4,6-7,10,16-25,34-37H,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
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