Browse entries in the PDBbind-CN Database
HEADER 4RRA_COMPLEX COMPND 4RRA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 MET ARG LEU LEU TYR LEU HIS ALA ASP ARG PHE GLU TYR SEQRES 2 A 136 LYS THR VAL LYS PRO ALA LEU LYS ASN PRO PRO ASP PRO SEQRES 3 A 136 PRO GLY GLU ALA SER PHE GLY GLU ALA LEU VAL VAL PHE SEQRES 4 A 136 THR THR VAL GLU ASP GLY ASP GLY PRO GLN THR VAL MET SEQRES 5 A 136 TYR ALA ALA SER ASP ILE ALA SER HIS SER SER ARG LEU SEQRES 6 A 136 LYS VAL THR THR VAL ILE LEU TYR PRO TYR ALA HIS LEU SEQRES 7 A 136 SER SER ARG LEU ALA LYS PRO MET ALA ALA HIS LYS ARG SEQRES 8 A 136 LEU ILE GLU LEU GLU GLY ALA LEU ARG THR LYS PHE PRO SEQRES 9 A 136 GLY HIS VAL HIS ARG ALA PRO PHE GLY TRP TYR LYS SER SEQRES 10 A 136 PHE SER ILE ALA CYS LYS GLY HIS PRO LEU ALA GLU LEU SEQRES 11 A 136 SER ARG SER PHE THR GLU SEQRES 1 B 136 MET ARG LEU LEU TYR LEU HIS ALA ASP ARG PHE GLU TYR SEQRES 2 B 136 LYS THR VAL LYS PRO ALA LEU LYS ASN PRO PRO ASP PRO SEQRES 3 B 136 PRO GLY GLU ALA SER PHE GLY GLU ALA LEU VAL VAL PHE SEQRES 4 B 136 THR THR VAL GLU ASP GLY ASP GLY PRO GLN THR VAL MET SEQRES 5 B 136 TYR ALA ALA SER ASP ILE ALA SER HIS SER SER ARG LEU SEQRES 6 B 136 LYS VAL THR THR VAL ILE LEU TYR PRO TYR ALA HIS LEU SEQRES 7 B 136 SER SER ARG LEU ALA LYS PRO MET ALA ALA HIS LYS ARG SEQRES 8 B 136 LEU ILE GLU LEU GLU GLY ALA LEU ARG THR LYS PHE PRO SEQRES 9 B 136 GLY HIS VAL HIS ARG ALA PRO PHE GLY TRP TYR LYS SER SEQRES 10 B 136 PHE SER ILE ALA CYS LYS GLY HIS PRO LEU ALA GLU LEU SEQRES 11 B 136 SER ARG SER PHE THR GLU HET MG A 1 1 HET MG A 2 1 HET A A 3T 48 ATOM 1 N MET A 1 18.477 7.125 6.536 1.00 19.79 N ATOM 2 CA MET A 1 17.343 6.145 6.437 1.00 18.41 C ATOM 3 C MET A 1 16.001 6.823 6.384 1.00 17.43 C ATOM 4 O MET A 1 15.708 7.701 7.146 1.00 19.24 O ATOM 5 CB MET A 1 17.406 5.129 7.590 1.00 18.99 C ATOM 6 CG MET A 1 16.459 3.956 7.477 1.00 21.85 C ATOM 7 SD MET A 1 16.748 2.771 8.811 1.00 23.15 S ATOM 8 CE MET A 1 18.310 2.069 8.286 1.00 22.14 C ATOM 9 HN3 MET A 1 18.369 7.692 7.401 1.00 0.00 H ATOM 10 HN2 MET A 1 18.466 7.751 5.706 1.00 0.00 H ATOM 11 HN1 MET A 1 19.379 6.608 6.569 1.00 0.00 H ATOM 12 N ARG A 2 15.159 6.392 5.437 1.00 16.68 N ATOM 13 CA ARG A 2 13.825 6.964 5.338 1.00 17.16 C ATOM 14 C ARG A 2 12.826 5.822 5.542 1.00 16.64 C ATOM 15 O ARG A 2 12.902 4.765 4.885 1.00 16.56 O ATOM 16 CB ARG A 2 13.614 7.671 3.987 1.00 18.64 C ATOM 17 CG ARG A 2 12.225 8.256 3.752 1.00 20.43 C ATOM 18 CD ARG A 2 12.147 9.704 4.211 1.00 22.95 C ATOM 19 NE ARG A 2 10.779 10.203 4.113 1.00 28.72 N ATOM 20 CZ ARG A 2 10.439 11.476 4.346 1.00 28.72 C ATOM 21 NH1 ARG A 2 11.384 12.346 4.661 1.00 28.68 N ATOM 22 NH2 ARG A 2 9.179 11.883 4.246 1.00 23.98 N ATOM 23 HE ARG A 2 10.029 9.534 3.848 1.00 0.00 H ATOM 24 HH12 ARG A 2 11.136 13.339 4.845 1.00 0.00 H ATOM 25 HH11 ARG A 2 12.375 12.037 4.725 1.00 0.00 H ATOM 26 HH22 ARG A 2 8.937 12.877 4.432 1.00 0.00 H ATOM 27 HH21 ARG A 2 8.434 11.207 3.982 1.00 0.00 H ATOM 28 H ARG A 2 15.458 5.649 4.773 1.00 0.00 H ATOM 29 N LEU A 3 11.882 6.029 6.453 1.00 14.32 N ATOM 30 CA LEU A 3 10.877 4.975 6.744 1.00 15.23 C ATOM 31 C LEU A 3 9.448 5.474 6.517 1.00 14.69 C ATOM 32 O LEU A 3 9.161 6.682 6.668 1.00 15.90 O ATOM 33 CB LEU A 3 11.003 4.489 8.194 1.00 17.75 C ATOM 34 CG LEU A 3 12.355 4.010 8.709 1.00 18.44 C ATOM 35 CD1 LEU A 3 12.117 3.471 10.124 1.00 21.47 C ATOM 36 CD2 LEU A 3 12.909 2.906 7.867 1.00 20.17 C ATOM 37 H LEU A 3 11.846 6.934 6.965 1.00 0.00 H ATOM 38 N LEU A 4 8.563 4.556 6.152 1.00 15.99 N ATOM 39 CA LEU A 4 7.148 4.815 6.146 1.00 18.18 C ATOM 40 C LEU A 4 6.519 3.762 7.050 1.00 19.14 C ATOM 41 O LEU A 4 6.648 2.586 6.780 1.00 18.85 O ATOM 42 CB LEU A 4 6.607 4.701 4.712 1.00 18.12 C ATOM 43 CG LEU A 4 5.140 5.008 4.512 1.00 20.76 C ATOM 44 CD1 LEU A 4 4.787 6.489 4.761 1.00 21.35 C ATOM 45 CD2 LEU A 4 4.765 4.560 3.085 1.00 19.95 C ATOM 46 H LEU A 4 8.903 3.618 5.860 1.00 0.00 H ATOM 47 N TYR A 5 5.823 4.222 8.093 1.00 18.45 N ATOM 48 CA TYR A 5 5.085 3.364 9.077 1.00 17.40 C ATOM 49 C TYR A 5 3.624 3.235 8.658 1.00 17.55 C ATOM 50 O TYR A 5 2.901 4.243 8.641 1.00 20.82 O ATOM 51 CB TYR A 5 5.107 4.052 10.435 1.00 17.95 C ATOM 52 CG TYR A 5 6.449 4.121 11.143 1.00 20.39 C ATOM 53 CD1 TYR A 5 7.533 3.405 10.729 1.00 19.11 C ATOM 54 CD2 TYR A 5 6.604 4.932 12.276 1.00 20.13 C ATOM 55 CE1 TYR A 5 8.781 3.514 11.388 1.00 20.31 C ATOM 56 CE2 TYR A 5 7.805 4.999 12.961 1.00 20.72 C ATOM 57 CZ TYR A 5 8.897 4.299 12.527 1.00 19.83 C ATOM 58 OH TYR A 5 10.100 4.414 13.191 1.00 19.96 O ATOM 59 HH TYR A 5 10.398 5.358 13.171 1.00 0.00 H ATOM 60 H TYR A 5 5.790 5.252 8.233 1.00 0.00 H ATOM 61 N LEU A 6 3.201 2.032 8.299 1.00 17.47 N ATOM 62 CA LEU A 6 1.808 1.801 7.930 1.00 18.90 C ATOM 63 C LEU A 6 1.213 0.799 8.908 1.00 19.17 C ATOM 64 O LEU A 6 1.583 -0.373 8.869 1.00 20.59 O ATOM 65 CB LEU A 6 1.718 1.255 6.512 1.00 20.45 C ATOM 66 CG LEU A 6 2.281 2.183 5.377 1.00 22.85 C ATOM 67 CD1 LEU A 6 2.215 1.428 4.060 1.00 23.87 C ATOM 68 CD2 LEU A 6 1.531 3.476 5.237 1.00 27.15 C ATOM 69 H LEU A 6 3.873 1.239 8.280 1.00 0.00 H ATOM 70 N HIS A 7 0.236 1.260 9.704 1.00 20.12 N ATOM 71 CA HIS A 7 -0.479 0.396 10.649 1.00 20.54 C ATOM 72 C HIS A 7 -1.537 -0.343 9.888 1.00 21.82 C ATOM 73 O HIS A 7 -2.521 0.254 9.428 1.00 22.68 O ATOM 74 CB HIS A 7 -1.080 1.238 11.746 1.00 23.14 C ATOM 75 CG HIS A 7 -1.706 0.401 12.851 1.00 23.23 C ATOM 76 ND1 HIS A 7 -2.489 0.933 13.807 1.00 25.69 N ATOM 77 CD2 HIS A 7 -1.634 -0.948 13.100 1.00 24.18 C ATOM 78 CE1 HIS A 7 -2.883 -0.050 14.647 1.00 25.08 C ATOM 79 NE2 HIS A 7 -2.346 -1.197 14.214 1.00 26.74 N ATOM 80 H HIS A 7 -0.023 2.266 9.649 1.00 0.00 H ATOM 81 N ALA A 8 -1.309 -1.630 9.703 1.00 21.33 N ATOM 82 CA ALA A 8 -2.082 -2.439 8.817 1.00 24.11 C ATOM 83 C ALA A 8 -3.056 -3.303 9.620 1.00 27.23 C ATOM 84 O ALA A 8 -2.790 -3.658 10.765 1.00 25.02 O ATOM 85 CB ALA A 8 -1.154 -3.305 7.995 1.00 23.47 C ATOM 86 H ALA A 8 -0.529 -2.075 10.228 1.00 0.00 H ATOM 87 N ASP A 9 -4.193 -3.621 9.012 1.00 28.27 N ATOM 88 CA ASP A 9 -5.076 -4.646 9.530 1.00 28.50 C ATOM 89 C ASP A 9 -4.629 -6.000 9.030 1.00 27.32 C ATOM 90 O ASP A 9 -4.883 -6.995 9.704 1.00 29.69 O ATOM 91 CB ASP A 9 -6.512 -4.406 9.048 1.00 31.56 C ATOM 92 CG ASP A 9 -7.225 -3.323 9.840 1.00 36.89 C ATOM 93 OD1 ASP A 9 -7.128 -3.328 11.086 1.00 38.98 O ATOM 94 OD2 ASP A 9 -7.889 -2.467 9.202 1.00 40.46 O ATOM 95 H ASP A 9 -4.457 -3.120 8.140 1.00 0.00 H ATOM 96 N ARG A 10 -3.974 -6.034 7.867 1.00 24.70 N ATOM 97 CA ARG A 10 -3.442 -7.219 7.247 1.00 21.94 C ATOM 98 C ARG A 10 -2.379 -6.782 6.236 1.00 23.98 C ATOM 99 O ARG A 10 -2.395 -5.640 5.713 1.00 25.82 O ATOM 100 CB ARG A 10 -4.497 -8.103 6.512 1.00 28.42 C ATOM 101 CG ARG A 10 -5.347 -7.360 5.480 1.00 27.43 C ATOM 102 CD ARG A 10 -6.212 -8.203 4.533 1.00 30.59 C ATOM 103 NE ARG A 10 -6.896 -7.353 3.530 1.00 32.87 N ATOM 104 CZ ARG A 10 -6.375 -6.857 2.381 1.00 34.67 C ATOM 105 NH1 ARG A 10 -5.151 -7.072 2.007 1.00 30.57 N ATOM 106 NH2 ARG A 10 -7.112 -6.112 1.570 1.00 37.88 N ATOM 107 HE ARG A 10 -7.887 -7.110 3.730 1.00 0.00 H ATOM 108 HH12 ARG A 10 -4.801 -6.667 1.115 1.00 0.00 H ATOM 109 HH11 ARG A 10 -4.520 -7.649 2.599 1.00 0.00 H ATOM 110 HH22 ARG A 10 -6.701 -5.737 0.691 1.00 0.00 H ATOM 111 HH21 ARG A 10 -8.101 -5.902 1.812 1.00 0.00 H ATOM 112 H ARG A 10 -3.837 -5.131 7.369 1.00 0.00 H ATOM 113 N PHE A 11 -1.462 -7.691 5.954 1.00 23.09 N ATOM 114 CA PHE A 11 -0.375 -7.486 5.006 1.00 23.36 C ATOM 115 C PHE A 11 0.108 -8.801 4.488 1.00 25.13 C ATOM 116 O PHE A 11 0.220 -9.771 5.217 1.00 25.58 O ATOM 117 CB PHE A 11 0.828 -6.761 5.677 1.00 21.99 C ATOM 118 CG PHE A 11 1.916 -6.368 4.720 1.00 21.03 C ATOM 119 CD1 PHE A 11 1.718 -5.340 3.771 1.00 22.67 C ATOM 120 CD2 PHE A 11 3.137 -7.019 4.733 1.00 24.66 C ATOM 121 CE1 PHE A 11 2.748 -4.993 2.879 1.00 23.25 C ATOM 122 CE2 PHE A 11 4.159 -6.677 3.853 1.00 23.96 C ATOM 123 CZ PHE A 11 3.962 -5.643 2.929 1.00 25.10 C ATOM 124 H PHE A 11 -1.520 -8.609 6.439 1.00 0.00 H ATOM 125 N GLU A 12 0.492 -8.801 3.234 1.00 23.64 N ATOM 126 CA GLU A 12 1.064 -9.946 2.608 1.00 26.86 C ATOM 127 C GLU A 12 1.913 -9.485 1.464 1.00 22.85 C ATOM 128 O GLU A 12 1.668 -8.440 0.846 1.00 23.55 O ATOM 129 CB GLU A 12 0.016 -10.984 2.121 1.00 30.53 C ATOM 130 CG GLU A 12 -0.865 -10.518 0.972 1.00 34.57 C ATOM 131 CD GLU A 12 -1.644 -11.662 0.323 1.00 37.92 C ATOM 132 OE1 GLU A 12 -1.078 -12.366 -0.553 1.00 45.87 O ATOM 133 OE2 GLU A 12 -2.812 -11.835 0.676 1.00 35.97 O ATOM 134 H GLU A 12 0.374 -7.932 2.675 1.00 0.00 H ATOM 135 N TYR A 13 2.938 -10.268 1.185 1.00 23.80 N ATOM 136 CA TYR A 13 3.802 -10.058 0.024 1.00 21.46 C ATOM 137 C TYR A 13 4.244 -11.381 -0.565 1.00 23.47 C ATOM 138 O TYR A 13 4.162 -12.408 0.095 1.00 24.84 O ATOM 139 CB TYR A 13 5.061 -9.260 0.418 1.00 20.39 C ATOM 140 CG TYR A 13 6.011 -10.076 1.296 1.00 20.10 C ATOM 141 CD1 TYR A 13 5.941 -9.999 2.706 1.00 22.38 C ATOM 142 CD2 TYR A 13 6.980 -10.877 0.718 1.00 22.03 C ATOM 143 CE1 TYR A 13 6.811 -10.722 3.496 1.00 22.64 C ATOM 144 CE2 TYR A 13 7.873 -11.616 1.505 1.00 23.24 C ATOM 145 CZ TYR A 13 7.779 -11.537 2.883 1.00 22.16 C ATOM 146 OH TYR A 13 8.674 -12.284 3.629 1.00 22.83 O ATOM 147 HH TYR A 13 8.500 -12.139 4.593 1.00 0.00 H ATOM 148 H TYR A 13 3.140 -11.068 1.818 1.00 0.00 H ATOM 149 N LYS A 14 4.710 -11.359 -1.813 1.00 24.73 N ATOM 150 CA LYS A 14 5.292 -12.510 -2.496 1.00 25.52 C ATOM 151 C LYS A 14 6.330 -11.935 -3.371 1.00 23.60 C ATOM 152 O LYS A 14 6.049 -10.914 -4.050 1.00 28.23 O ATOM 153 CB LYS A 14 4.297 -13.197 -3.432 1.00 25.47 C ATOM 154 CG LYS A 14 2.966 -13.589 -2.816 1.00 31.24 C ATOM 155 CD LYS A 14 2.225 -14.597 -3.697 1.00 34.63 C ATOM 156 CE LYS A 14 1.286 -15.478 -2.878 1.00 38.02 C ATOM 157 NZ LYS A 14 -0.050 -14.838 -2.805 1.00 41.59 N ATOM 158 HZ1 LYS A 14 0.038 -13.906 -2.351 1.00 0.00 H ATOM 159 HZ2 LYS A 14 -0.431 -14.722 -3.766 1.00 0.00 H ATOM 160 HZ3 LYS A 14 -0.690 -15.438 -2.247 1.00 0.00 H ATOM 161 H LYS A 14 4.655 -10.461 -2.335 1.00 0.00 H ATOM 162 N THR A 15 7.504 -12.560 -3.347 1.00 24.06 N ATOM 163 CA THR A 15 8.619 -12.240 -4.252 1.00 21.54 C ATOM 164 C THR A 15 8.144 -12.732 -5.599 1.00 25.36 C ATOM 165 O THR A 15 7.336 -13.692 -5.691 1.00 25.16 O ATOM 166 CB THR A 15 9.973 -12.885 -3.895 1.00 25.22 C ATOM 167 OG1 THR A 15 9.837 -14.303 -3.744 1.00 25.00 O ATOM 168 CG2 THR A 15 10.527 -12.325 -2.578 1.00 21.48 C ATOM 169 HG1 THR A 15 9.510 -14.694 -4.593 1.00 0.00 H ATOM 170 H THR A 15 7.642 -13.318 -2.649 1.00 0.00 H ATOM 171 N VAL A 16 8.639 -12.078 -6.641 1.00 26.59 N ATOM 172 CA VAL A 16 8.209 -12.357 -8.023 1.00 27.57 C ATOM 173 C VAL A 16 9.560 -12.475 -8.739 1.00 29.21 C ATOM 174 O VAL A 16 10.345 -13.376 -8.384 1.00 29.38 O ATOM 175 CB VAL A 16 7.226 -11.304 -8.607 1.00 25.23 C ATOM 176 CG1 VAL A 16 6.823 -11.707 -10.015 1.00 29.53 C ATOM 177 CG2 VAL A 16 5.931 -11.239 -7.786 1.00 25.85 C ATOM 178 H VAL A 16 9.356 -11.342 -6.477 1.00 0.00 H ATOM 179 N LYS A 17 9.898 -11.605 -9.685 1.00 29.74 N ATOM 180 CA LYS A 17 11.225 -11.708 -10.293 1.00 28.09 C ATOM 181 C LYS A 17 12.345 -11.134 -9.399 1.00 32.63 C ATOM 182 O LYS A 17 12.086 -10.217 -8.608 1.00 27.99 O ATOM 183 CB LYS A 17 11.260 -11.031 -11.671 1.00 29.87 C ATOM 184 CG LYS A 17 10.199 -11.543 -12.696 1.00 31.31 C ATOM 185 CD LYS A 17 9.805 -10.442 -13.720 1.00 33.41 C ATOM 186 CE LYS A 17 8.323 -10.402 -14.240 1.00 31.93 C ATOM 187 NZ LYS A 17 7.054 -10.290 -13.420 1.00 22.82 N ATOM 188 HZ1 LYS A 17 6.990 -11.099 -12.770 1.00 0.00 H ATOM 189 HZ2 LYS A 17 7.073 -9.405 -12.874 1.00 0.00 H ATOM 190 HZ3 LYS A 17 6.231 -10.289 -14.056 1.00 0.00 H ATOM 191 H LYS A 17 9.232 -10.865 -9.987 1.00 0.00 H ATOM 192 N PRO A 18 13.594 -11.654 -9.538 1.00 33.74 N ATOM 193 CA PRO A 18 14.769 -11.064 -8.893 1.00 35.57 C ATOM 194 C PRO A 18 15.006 -9.646 -9.433 1.00 37.35 C ATOM 195 O PRO A 18 14.974 -9.433 -10.665 1.00 34.54 O ATOM 196 CB PRO A 18 15.907 -12.005 -9.325 1.00 37.44 C ATOM 197 CG PRO A 18 15.482 -12.417 -10.704 1.00 33.79 C ATOM 198 CD PRO A 18 14.005 -12.706 -10.499 1.00 35.60 C ATOM 199 N ALA A 19 15.189 -8.695 -8.504 1.00 32.35 N ATOM 200 CA ALA A 19 15.457 -7.294 -8.837 1.00 32.35 C ATOM 201 C ALA A 19 16.919 -7.109 -9.069 1.00 33.65 C ATOM 202 O ALA A 19 17.310 -6.337 -9.931 1.00 39.61 O ATOM 203 CB ALA A 19 14.972 -6.334 -7.732 1.00 27.04 C ATOM 204 H ALA A 19 15.138 -8.965 -7.501 1.00 0.00 H ATOM 205 N LEU A 20 17.733 -7.797 -8.271 1.00 38.96 N ATOM 206 CA LEU A 20 19.203 -7.734 -8.369 1.00 38.27 C ATOM 207 C LEU A 20 19.680 -8.988 -9.095 1.00 37.33 C ATOM 208 O LEU A 20 18.981 -10.022 -9.082 1.00 36.56 O ATOM 209 CB LEU A 20 19.868 -7.703 -6.983 1.00 35.85 C ATOM 210 CG LEU A 20 19.682 -6.561 -5.971 1.00 35.44 C ATOM 211 CD1 LEU A 20 20.345 -6.920 -4.639 1.00 34.54 C ATOM 212 CD2 LEU A 20 20.212 -5.237 -6.514 1.00 31.77 C ATOM 213 H LEU A 20 17.312 -8.409 -7.543 1.00 0.00 H ATOM 214 N LYS A 21 20.873 -8.903 -9.679 1.00 37.79 N ATOM 215 CA LYS A 21 21.488 -10.064 -10.320 1.00 42.63 C ATOM 216 C LYS A 21 21.548 -11.303 -9.411 1.00 45.46 C ATOM 217 O LYS A 21 21.103 -12.370 -9.823 1.00 45.42 O ATOM 218 CB LYS A 21 22.871 -9.729 -10.860 1.00 46.92 C ATOM 219 CG LYS A 21 23.253 -10.642 -12.017 1.00 54.54 C ATOM 220 CD LYS A 21 24.718 -10.509 -12.377 1.00 61.59 C ATOM 221 CE LYS A 21 25.128 -11.584 -13.373 1.00 64.24 C ATOM 222 NZ LYS A 21 26.496 -11.300 -13.903 1.00 65.74 N ATOM 223 HZ1 LYS A 21 26.497 -10.375 -14.379 1.00 0.00 H ATOM 224 HZ2 LYS A 21 27.176 -11.287 -13.116 1.00 0.00 H ATOM 225 HZ3 LYS A 21 26.764 -12.041 -14.582 1.00 0.00 H ATOM 226 H LYS A 21 21.377 -7.993 -9.679 1.00 0.00 H ATOM 227 N ASN A 22 22.074 -11.163 -8.188 1.00 45.42 N ATOM 228 CA ASN A 22 22.060 -12.272 -7.212 1.00 44.70 C ATOM 229 C ASN A 22 21.443 -11.847 -5.852 1.00 35.89 C ATOM 230 O ASN A 22 22.185 -11.500 -4.946 1.00 39.94 O ATOM 231 CB ASN A 22 23.478 -12.834 -6.970 1.00 49.68 C ATOM 232 CG ASN A 22 24.402 -12.648 -8.169 1.00 57.91 C ATOM 233 OD1 ASN A 22 24.364 -13.437 -9.122 1.00 59.79 O ATOM 234 ND2 ASN A 22 25.239 -11.594 -8.132 1.00 59.99 N ATOM 235 HD22 ASN A 22 25.237 -10.957 -7.310 1.00 0.00 H ATOM 236 HD21 ASN A 22 25.888 -11.417 -8.925 1.00 0.00 H ATOM 237 H ASN A 22 22.502 -10.254 -7.919 1.00 0.00 H ATOM 238 N PRO A 23 20.098 -11.898 -5.708 1.00 33.09 N ATOM 239 CA PRO A 23 19.462 -11.439 -4.455 1.00 28.37 C ATOM 240 C PRO A 23 20.083 -12.164 -3.253 1.00 28.30 C ATOM 241 O PRO A 23 20.184 -13.403 -3.282 1.00 30.48 O ATOM 242 CB PRO A 23 17.989 -11.878 -4.615 1.00 28.38 C ATOM 243 CG PRO A 23 17.783 -11.950 -6.104 1.00 30.43 C ATOM 244 CD PRO A 23 19.094 -12.457 -6.642 1.00 32.82 C ATOM 245 N PRO A 24 20.501 -11.396 -2.208 1.00 28.25 N ATOM 246 CA PRO A 24 21.161 -11.981 -1.070 1.00 28.79 C ATOM 247 C PRO A 24 20.238 -12.808 -0.212 1.00 29.75 C ATOM 248 O PRO A 24 20.740 -13.538 0.621 1.00 29.79 O ATOM 249 CB PRO A 24 21.648 -10.768 -0.276 1.00 28.92 C ATOM 250 CG PRO A 24 20.685 -9.683 -0.633 1.00 27.61 C ATOM 251 CD PRO A 24 20.475 -9.927 -2.114 1.00 26.38 C ATOM 252 N ASP A 25 18.922 -12.683 -0.388 1.00 29.78 N ATOM 253 CA ASP A 25 17.958 -13.437 0.393 1.00 29.12 C ATOM 254 C ASP A 25 17.213 -14.428 -0.522 1.00 30.73 C ATOM 255 O ASP A 25 16.994 -14.134 -1.689 1.00 30.45 O ATOM 256 CB ASP A 25 16.953 -12.475 1.051 1.00 29.74 C ATOM 257 CG ASP A 25 17.571 -11.615 2.168 1.00 28.18 C ATOM 258 OD1 ASP A 25 18.451 -12.089 2.919 1.00 26.46 O ATOM 259 OD2 ASP A 25 17.163 -10.438 2.314 1.00 30.97 O ATOM 260 H ASP A 25 18.574 -12.021 -1.111 1.00 0.00 H ATOM 261 N PRO A 26 16.805 -15.604 0.002 1.00 30.97 N ATOM 262 CA PRO A 26 15.937 -16.496 -0.808 1.00 29.04 C ATOM 263 C PRO A 26 14.522 -15.916 -1.091 1.00 27.34 C ATOM 264 O PRO A 26 14.062 -15.045 -0.337 1.00 27.22 O ATOM 265 CB PRO A 26 15.755 -17.736 0.089 1.00 29.91 C ATOM 266 CG PRO A 26 16.130 -17.290 1.490 1.00 32.87 C ATOM 267 CD PRO A 26 17.127 -16.178 1.332 1.00 30.35 C ATOM 268 N PRO A 27 13.824 -16.424 -2.142 1.00 25.19 N ATOM 269 CA PRO A 27 12.459 -16.006 -2.442 1.00 25.00 C ATOM 270 C PRO A 27 11.448 -16.543 -1.423 1.00 26.72 C ATOM 271 O PRO A 27 11.773 -17.459 -0.605 1.00 29.41 O ATOM 272 CB PRO A 27 12.198 -16.639 -3.798 1.00 23.76 C ATOM 273 CG PRO A 27 13.064 -17.866 -3.766 1.00 26.05 C ATOM 274 CD PRO A 27 14.329 -17.396 -3.136 1.00 25.04 C ATOM 275 N GLY A 28 10.228 -16.026 -1.466 1.00 25.98 N ATOM 276 CA GLY A 28 9.241 -16.442 -0.463 1.00 24.54 C ATOM 277 C GLY A 28 8.025 -15.577 -0.395 1.00 24.50 C ATOM 278 O GLY A 28 7.772 -14.744 -1.255 1.00 25.51 O ATOM 279 H GLY A 28 9.974 -15.335 -2.201 1.00 0.00 H ATOM 280 N GLU A 29 7.229 -15.792 0.641 1.00 27.58 N ATOM 281 CA GLU A 29 5.971 -15.104 0.769 1.00 26.87 C ATOM 282 C GLU A 29 5.502 -15.257 2.204 1.00 26.05 C ATOM 283 O GLU A 29 5.888 -16.238 2.895 1.00 25.56 O ATOM 284 CB GLU A 29 4.937 -15.711 -0.201 1.00 31.00 C ATOM 285 CG GLU A 29 4.372 -17.068 0.206 1.00 36.17 C ATOM 286 CD GLU A 29 3.239 -17.547 -0.706 1.00 41.74 C ATOM 287 OE1 GLU A 29 3.459 -17.597 -1.955 1.00 39.13 O ATOM 288 OE2 GLU A 29 2.139 -17.894 -0.165 1.00 40.94 O ATOM 289 H GLU A 29 7.518 -16.470 1.375 1.00 0.00 H ATOM 290 N ALA A 30 4.667 -14.324 2.640 1.00 23.40 N ATOM 291 CA ALA A 30 4.195 -14.315 3.990 1.00 21.35 C ATOM 292 C ALA A 30 2.973 -13.448 4.081 1.00 22.09 C ATOM 293 O ALA A 30 2.762 -12.538 3.252 1.00 24.88 O ATOM 294 CB ALA A 30 5.303 -13.811 4.935 1.00 22.88 C ATOM 295 H ALA A 30 4.348 -13.582 1.985 1.00 0.00 H ATOM 296 N SER A 31 2.149 -13.685 5.091 1.00 23.14 N ATOM 297 CA SER A 31 0.998 -12.838 5.313 1.00 23.10 C ATOM 298 C SER A 31 0.785 -12.697 6.784 1.00 22.45 C ATOM 299 O SER A 31 1.201 -13.590 7.571 1.00 22.48 O ATOM 300 CB SER A 31 -0.237 -13.428 4.609 1.00 27.91 C ATOM 301 OG SER A 31 -0.814 -14.465 5.399 1.00 35.83 O ATOM 302 HG SER A 31 -1.606 -14.832 4.932 1.00 0.00 H ATOM 303 H SER A 31 2.331 -14.486 5.729 1.00 0.00 H ATOM 304 N PHE A 32 0.126 -11.618 7.176 1.00 22.19 N ATOM 305 CA PHE A 32 0.007 -11.240 8.584 1.00 20.90 C ATOM 306 C PHE A 32 -1.318 -10.605 8.839 1.00 24.00 C ATOM 307 O PHE A 32 -1.984 -10.055 7.883 1.00 24.56 O ATOM 308 CB PHE A 32 1.147 -10.251 8.948 1.00 22.46 C ATOM 309 CG PHE A 32 2.498 -10.700 8.476 1.00 21.59 C ATOM 310 CD1 PHE A 32 2.897 -10.498 7.157 1.00 22.04 C ATOM 311 CD2 PHE A 32 3.392 -11.398 9.350 1.00 21.72 C ATOM 312 CE1 PHE A 32 4.122 -10.941 6.676 1.00 21.91 C ATOM 313 CE2 PHE A 32 4.612 -11.861 8.858 1.00 21.56 C ATOM 314 CZ PHE A 32 5.011 -11.620 7.546 1.00 24.10 C ATOM 315 H PHE A 32 -0.324 -11.017 6.456 1.00 0.00 H ATOM 316 N GLY A 33 -1.657 -10.577 10.128 1.00 24.28 N ATOM 317 CA GLY A 33 -2.735 -9.773 10.647 1.00 27.04 C ATOM 318 C GLY A 33 -2.273 -8.401 11.003 1.00 24.83 C ATOM 319 O GLY A 33 -1.417 -7.825 10.306 1.00 27.71 O ATOM 320 H GLY A 33 -1.116 -11.165 10.793 1.00 0.00 H ATOM 321 N GLU A 34 -2.798 -7.874 12.099 1.00 25.29 N ATOM 322 CA GLU A 34 -2.516 -6.513 12.498 1.00 28.23 C ATOM 323 C GLU A 34 -1.019 -6.346 12.687 1.00 28.42 C ATOM 324 O GLU A 34 -0.402 -7.165 13.338 1.00 26.99 O ATOM 325 CB GLU A 34 -3.260 -6.131 13.790 1.00 30.13 C ATOM 326 CG GLU A 34 -2.896 -4.724 14.253 1.00 30.83 C ATOM 327 CD GLU A 34 -3.785 -4.167 15.353 1.00 35.62 C ATOM 328 OE1 GLU A 34 -4.910 -4.686 15.513 1.00 46.00 O ATOM 329 OE2 GLU A 34 -3.380 -3.205 16.049 1.00 35.26 O ATOM 330 H GLU A 34 -3.429 -8.454 12.688 1.00 0.00 H ATOM 331 N ALA A 35 -0.414 -5.322 12.093 1.00 26.41 N ATOM 332 CA ALA A 35 1.059 -5.192 12.176 1.00 21.95 C ATOM 333 C ALA A 35 1.390 -3.775 11.832 1.00 23.65 C ATOM 334 O ALA A 35 0.595 -3.104 11.170 1.00 22.92 O ATOM 335 CB ALA A 35 1.732 -6.111 11.179 1.00 22.54 C ATOM 336 H ALA A 35 -0.972 -4.616 11.573 1.00 0.00 H ATOM 337 N LEU A 36 2.544 -3.331 12.291 1.00 20.30 N ATOM 338 CA LEU A 36 3.168 -2.139 11.739 1.00 20.39 C ATOM 339 C LEU A 36 4.054 -2.554 10.558 1.00 20.02 C ATOM 340 O LEU A 36 4.976 -3.330 10.712 1.00 18.80 O ATOM 341 CB LEU A 36 3.967 -1.453 12.799 1.00 20.86 C ATOM 342 CG LEU A 36 4.724 -0.235 12.274 1.00 21.27 C ATOM 343 CD1 LEU A 36 3.660 0.810 11.975 1.00 22.37 C ATOM 344 CD2 LEU A 36 5.670 0.233 13.357 1.00 19.95 C ATOM 345 H LEU A 36 3.017 -3.843 13.063 1.00 0.00 H ATOM 346 N VAL A 37 3.719 -2.094 9.348 1.00 17.49 N ATOM 347 CA VAL A 37 4.480 -2.429 8.165 1.00 17.92 C ATOM 348 C VAL A 37 5.439 -1.220 7.981 1.00 18.36 C ATOM 349 O VAL A 37 4.991 -0.065 7.885 1.00 19.52 O ATOM 350 CB VAL A 37 3.574 -2.624 6.922 1.00 19.47 C ATOM 351 CG1 VAL A 37 4.405 -2.995 5.701 1.00 20.84 C ATOM 352 CG2 VAL A 37 2.558 -3.735 7.161 1.00 19.99 C ATOM 353 H VAL A 37 2.887 -1.477 9.255 1.00 0.00 H ATOM 354 N VAL A 38 6.749 -1.482 7.976 1.00 15.93 N ATOM 355 CA VAL A 38 7.777 -0.385 7.924 1.00 14.33 C ATOM 356 C VAL A 38 8.477 -0.483 6.589 1.00 13.29 C ATOM 357 O VAL A 38 9.368 -1.320 6.373 1.00 14.57 O ATOM 358 CB VAL A 38 8.841 -0.521 9.049 1.00 14.77 C ATOM 359 CG1 VAL A 38 9.792 0.677 9.038 1.00 14.26 C ATOM 360 CG2 VAL A 38 8.134 -0.572 10.403 1.00 14.76 C ATOM 361 H VAL A 38 7.067 -2.472 8.009 1.00 0.00 H ATOM 362 N PHE A 39 8.039 0.343 5.633 1.00 14.82 N ATOM 363 CA PHE A 39 8.749 0.429 4.365 1.00 15.47 C ATOM 364 C PHE A 39 10.085 1.151 4.596 1.00 15.29 C ATOM 365 O PHE A 39 10.079 2.245 5.161 1.00 16.75 O ATOM 366 CB PHE A 39 7.868 1.222 3.350 1.00 16.77 C ATOM 367 CG PHE A 39 6.768 0.392 2.728 1.00 20.47 C ATOM 368 CD1 PHE A 39 6.624 0.327 1.364 1.00 24.84 C ATOM 369 CD2 PHE A 39 5.875 -0.299 3.506 1.00 23.49 C ATOM 370 CE1 PHE A 39 5.593 -0.419 0.776 1.00 25.24 C ATOM 371 CE2 PHE A 39 4.847 -1.061 2.926 1.00 26.41 C ATOM 372 CZ PHE A 39 4.713 -1.134 1.568 1.00 25.12 C ATOM 373 H PHE A 39 7.192 0.924 5.795 1.00 0.00 H ATOM 374 N THR A 40 11.224 0.513 4.222 1.00 13.33 N ATOM 375 CA THR A 40 12.522 0.972 4.683 1.00 14.74 C ATOM 376 C THR A 40 13.447 1.249 3.553 1.00 15.28 C ATOM 377 O THR A 40 13.762 0.304 2.811 1.00 16.40 O ATOM 378 CB THR A 40 13.172 -0.132 5.520 1.00 15.94 C ATOM 379 OG1 THR A 40 12.257 -0.430 6.587 1.00 18.96 O ATOM 380 CG2 THR A 40 14.557 0.295 6.103 1.00 16.50 C ATOM 381 HG1 THR A 40 11.396 -0.736 6.206 1.00 0.00 H ATOM 382 H THR A 40 11.166 -0.316 3.597 1.00 0.00 H ATOM 383 N THR A 41 13.873 2.488 3.440 1.00 15.82 N ATOM 384 CA THR A 41 14.830 2.896 2.392 1.00 15.07 C ATOM 385 C THR A 41 16.160 3.258 3.081 1.00 14.61 C ATOM 386 O THR A 41 16.238 4.254 3.784 1.00 16.62 O ATOM 387 CB THR A 41 14.362 4.096 1.517 1.00 16.74 C ATOM 388 OG1 THR A 41 13.186 3.734 0.789 1.00 16.30 O ATOM 389 CG2 THR A 41 15.409 4.458 0.462 1.00 18.45 C ATOM 390 HG1 THR A 41 13.386 2.960 0.205 1.00 0.00 H ATOM 391 H THR A 41 13.525 3.203 4.110 1.00 0.00 H ATOM 392 N VAL A 42 17.217 2.489 2.787 1.00 14.90 N ATOM 393 CA VAL A 42 18.542 2.695 3.395 1.00 13.89 C ATOM 394 C VAL A 42 19.294 3.756 2.598 1.00 16.91 C ATOM 395 O VAL A 42 19.317 3.688 1.381 1.00 15.99 O ATOM 396 CB VAL A 42 19.403 1.405 3.472 1.00 15.12 C ATOM 397 CG1 VAL A 42 20.716 1.744 4.235 1.00 16.12 C ATOM 398 CG2 VAL A 42 18.576 0.337 4.201 1.00 14.03 C ATOM 399 H VAL A 42 17.097 1.716 2.102 1.00 0.00 H ATOM 400 N GLU A 43 19.801 4.770 3.280 1.00 15.55 N ATOM 401 CA GLU A 43 20.416 5.911 2.606 1.00 17.32 C ATOM 402 C GLU A 43 21.914 5.905 2.766 1.00 20.03 C ATOM 403 O GLU A 43 22.436 5.269 3.683 1.00 18.48 O ATOM 404 CB GLU A 43 19.797 7.233 3.123 1.00 18.09 C ATOM 405 CG GLU A 43 18.304 7.301 2.837 1.00 19.22 C ATOM 406 CD GLU A 43 17.680 8.585 3.304 1.00 21.74 C ATOM 407 OE1 GLU A 43 17.963 8.969 4.463 1.00 21.79 O ATOM 408 OE2 GLU A 43 16.878 9.186 2.538 1.00 21.61 O ATOM 409 H GLU A 43 19.761 4.755 4.319 1.00 0.00 H ATOM 410 N ASP A 44 22.613 6.583 1.859 1.00 21.04 N ATOM 411 CA ASP A 44 24.073 6.641 1.932 1.00 25.20 C ATOM 412 C ASP A 44 24.669 6.902 3.321 1.00 26.29 C ATOM 413 O ASP A 44 25.603 6.183 3.765 1.00 26.74 O ATOM 414 CB ASP A 44 24.669 7.636 0.943 1.00 32.06 C ATOM 415 CG ASP A 44 26.211 7.617 0.980 1.00 38.69 C ATOM 416 OD1 ASP A 44 26.784 6.703 0.346 1.00 43.35 O ATOM 417 OD2 ASP A 44 26.846 8.477 1.660 1.00 39.43 O ATOM 418 H ASP A 44 22.116 7.077 1.090 1.00 0.00 H ATOM 419 N GLY A 45 24.173 7.902 4.022 1.00 22.90 N ATOM 420 CA GLY A 45 24.780 8.178 5.375 1.00 26.74 C ATOM 421 C GLY A 45 24.610 7.130 6.510 1.00 25.92 C ATOM 422 O GLY A 45 25.145 7.332 7.616 1.00 27.85 O ATOM 423 H GLY A 45 23.390 8.480 3.655 1.00 0.00 H ATOM 424 N ASP A 46 23.902 6.027 6.264 1.00 23.19 N ATOM 425 CA ASP A 46 23.377 5.213 7.394 1.00 19.88 C ATOM 426 C ASP A 46 24.465 4.357 7.952 1.00 19.46 C ATOM 427 O ASP A 46 25.162 3.664 7.222 1.00 18.94 O ATOM 428 CB ASP A 46 22.211 4.290 6.954 1.00 18.82 C ATOM 429 CG ASP A 46 20.972 5.072 6.519 1.00 18.84 C ATOM 430 OD1 ASP A 46 20.917 6.323 6.645 1.00 21.19 O ATOM 431 OD2 ASP A 46 20.053 4.436 6.009 1.00 19.48 O ATOM 432 H ASP A 46 23.717 5.736 5.283 1.00 0.00 H ATOM 433 N GLY A 47 24.555 4.344 9.276 1.00 20.52 N ATOM 434 CA GLY A 47 25.530 3.482 9.939 1.00 19.85 C ATOM 435 C GLY A 47 24.888 2.937 11.187 1.00 21.81 C ATOM 436 O GLY A 47 23.650 2.905 11.336 1.00 19.07 O ATOM 437 H GLY A 47 23.929 4.950 9.844 1.00 0.00 H ATOM 438 N PRO A 48 25.711 2.564 12.153 1.00 23.75 N ATOM 439 CA PRO A 48 25.172 1.944 13.330 1.00 23.46 C ATOM 440 C PRO A 48 24.308 2.880 14.197 1.00 22.31 C ATOM 441 O PRO A 48 23.386 2.407 14.845 1.00 24.94 O ATOM 442 CB PRO A 48 26.445 1.590 14.125 1.00 24.96 C ATOM 443 CG PRO A 48 27.540 1.564 13.112 1.00 29.34 C ATOM 444 CD PRO A 48 27.170 2.709 12.208 1.00 26.26 C ATOM 445 N GLN A 49 24.651 4.166 14.303 1.00 22.80 N ATOM 446 CA GLN A 49 23.820 5.084 15.091 1.00 25.03 C ATOM 447 C GLN A 49 22.420 5.190 14.480 1.00 21.87 C ATOM 448 O GLN A 49 21.425 5.191 15.212 1.00 21.25 O ATOM 449 CB GLN A 49 24.439 6.493 15.258 1.00 32.98 C ATOM 450 CG GLN A 49 25.627 6.578 16.217 1.00 40.52 C ATOM 451 CD GLN A 49 25.470 5.656 17.417 1.00 47.92 C ATOM 452 OE1 GLN A 49 24.773 5.983 18.374 1.00 53.49 O ATOM 453 NE2 GLN A 49 26.128 4.494 17.373 1.00 52.48 N ATOM 454 HE22 GLN A 49 26.708 4.256 16.543 1.00 0.00 H ATOM 455 HE21 GLN A 49 26.060 3.828 18.169 1.00 0.00 H ATOM 456 H GLN A 49 25.507 4.517 13.827 1.00 0.00 H ATOM 457 N THR A 50 22.372 5.275 13.149 1.00 20.48 N ATOM 458 CA THR A 50 21.113 5.395 12.394 1.00 19.57 C ATOM 459 C THR A 50 20.230 4.186 12.722 1.00 18.33 C ATOM 460 O THR A 50 19.041 4.310 13.024 1.00 16.76 O ATOM 461 CB THR A 50 21.442 5.498 10.866 1.00 19.54 C ATOM 462 OG1 THR A 50 22.212 6.721 10.639 1.00 22.02 O ATOM 463 CG2 THR A 50 20.190 5.572 10.050 1.00 19.47 C ATOM 464 HG1 THR A 50 23.050 6.684 11.164 1.00 0.00 H ATOM 465 H THR A 50 23.267 5.256 12.619 1.00 0.00 H ATOM 466 N VAL A 51 20.820 3.008 12.653 1.00 18.52 N ATOM 467 CA VAL A 51 20.085 1.805 12.913 1.00 18.38 C ATOM 468 C VAL A 51 19.484 1.775 14.326 1.00 18.05 C ATOM 469 O VAL A 51 18.316 1.422 14.520 1.00 18.32 O ATOM 470 CB VAL A 51 21.009 0.626 12.696 1.00 19.80 C ATOM 471 CG1 VAL A 51 20.479 -0.626 13.391 1.00 22.95 C ATOM 472 CG2 VAL A 51 21.216 0.439 11.189 1.00 21.84 C ATOM 473 H VAL A 51 21.829 2.952 12.407 1.00 0.00 H ATOM 474 N MET A 52 20.281 2.164 15.312 1.00 20.44 N ATOM 475 CA MET A 52 19.784 2.125 16.649 1.00 23.57 C ATOM 476 C MET A 52 18.684 3.153 16.868 1.00 21.89 C ATOM 477 O MET A 52 17.698 2.838 17.521 1.00 21.61 O ATOM 478 CB MET A 52 20.914 2.249 17.659 1.00 29.80 C ATOM 479 CG MET A 52 20.475 1.809 19.066 1.00 37.53 C ATOM 480 SD MET A 52 19.599 0.188 19.192 1.00 50.69 S ATOM 481 CE MET A 52 20.930 -0.968 18.870 1.00 48.85 C ATOM 482 H MET A 52 21.248 2.491 15.115 1.00 0.00 H ATOM 483 N TYR A 53 18.841 4.361 16.312 1.00 19.21 N ATOM 484 CA TYR A 53 17.784 5.365 16.427 1.00 17.31 C ATOM 485 C TYR A 53 16.475 4.821 15.836 1.00 17.82 C ATOM 486 O TYR A 53 15.361 5.030 16.369 1.00 18.05 O ATOM 487 CB TYR A 53 18.156 6.630 15.685 1.00 18.62 C ATOM 488 CG TYR A 53 19.289 7.458 16.261 1.00 20.57 C ATOM 489 CD1 TYR A 53 19.378 7.694 17.635 1.00 23.34 C ATOM 490 CD2 TYR A 53 20.214 8.079 15.412 1.00 20.60 C ATOM 491 CE1 TYR A 53 20.435 8.466 18.138 1.00 22.96 C ATOM 492 CE2 TYR A 53 21.249 8.880 15.911 1.00 21.57 C ATOM 493 CZ TYR A 53 21.332 9.059 17.292 1.00 24.00 C ATOM 494 OH TYR A 53 22.354 9.831 17.789 1.00 22.10 O ATOM 495 HH TYR A 53 22.287 9.869 18.776 1.00 0.00 H ATOM 496 H TYR A 53 19.716 4.586 15.797 1.00 0.00 H ATOM 497 N ALA A 54 16.619 4.176 14.663 1.00 17.12 N ATOM 498 CA ALA A 54 15.436 3.677 13.959 1.00 17.02 C ATOM 499 C ALA A 54 14.786 2.557 14.773 1.00 14.63 C ATOM 500 O ALA A 54 13.558 2.584 14.978 1.00 14.97 O ATOM 501 CB ALA A 54 15.806 3.197 12.536 1.00 15.01 C ATOM 502 H ALA A 54 17.566 4.033 14.259 1.00 0.00 H ATOM 503 N ALA A 55 15.598 1.612 15.264 1.00 17.10 N ATOM 504 CA ALA A 55 15.123 0.528 16.144 1.00 17.64 C ATOM 505 C ALA A 55 14.326 1.021 17.354 1.00 18.90 C ATOM 506 O ALA A 55 13.214 0.515 17.601 1.00 18.29 O ATOM 507 CB ALA A 55 16.246 -0.410 16.582 1.00 17.55 C ATOM 508 H ALA A 55 16.607 1.644 15.014 1.00 0.00 H ATOM 509 N SER A 56 14.859 2.045 18.023 1.00 20.30 N ATOM 510 CA SER A 56 14.162 2.632 19.175 1.00 23.57 C ATOM 511 C SER A 56 12.848 3.282 18.802 1.00 23.14 C ATOM 512 O SER A 56 11.827 3.110 19.505 1.00 24.01 O ATOM 513 CB SER A 56 15.060 3.633 19.904 1.00 25.52 C ATOM 514 OG SER A 56 16.202 2.939 20.323 1.00 31.19 O ATOM 515 HG SER A 56 16.667 2.564 19.534 1.00 0.00 H ATOM 516 H SER A 56 15.778 2.432 17.726 1.00 0.00 H ATOM 517 N ASP A 57 12.860 4.052 17.709 1.00 19.38 N ATOM 518 CA ASP A 57 11.622 4.685 17.297 1.00 19.25 C ATOM 519 C ASP A 57 10.557 3.701 16.846 1.00 18.00 C ATOM 520 O ASP A 57 9.359 3.890 17.123 1.00 18.37 O ATOM 521 CB ASP A 57 11.905 5.652 16.141 1.00 18.65 C ATOM 522 CG ASP A 57 10.776 6.591 15.918 1.00 21.85 C ATOM 523 OD1 ASP A 57 10.661 7.530 16.748 1.00 24.72 O ATOM 524 OD2 ASP A 57 9.967 6.420 14.981 1.00 21.73 O ATOM 525 H ASP A 57 13.736 4.194 17.167 1.00 0.00 H ATOM 526 N ILE A 58 10.958 2.655 16.100 1.00 16.98 N ATOM 527 CA ILE A 58 10.001 1.694 15.617 1.00 15.74 C ATOM 528 C ILE A 58 9.349 1.010 16.851 1.00 16.05 C ATOM 529 O ILE A 58 8.149 0.790 16.912 1.00 17.44 O ATOM 530 CB ILE A 58 10.680 0.652 14.751 1.00 15.40 C ATOM 531 CG1 ILE A 58 11.072 1.295 13.385 1.00 16.95 C ATOM 532 CG2 ILE A 58 9.810 -0.568 14.463 1.00 15.95 C ATOM 533 CD1 ILE A 58 11.828 0.316 12.519 1.00 18.72 C ATOM 534 H ILE A 58 11.966 2.540 15.871 1.00 0.00 H ATOM 535 N ALA A 59 10.196 0.757 17.843 1.00 19.19 N ATOM 536 CA ALA A 59 9.766 0.109 19.069 1.00 19.21 C ATOM 537 C ALA A 59 8.771 0.965 19.827 1.00 18.56 C ATOM 538 O ALA A 59 7.744 0.461 20.296 1.00 21.51 O ATOM 539 CB ALA A 59 10.970 -0.270 19.925 1.00 20.48 C ATOM 540 H ALA A 59 11.194 1.031 17.738 1.00 0.00 H ATOM 541 N SER A 60 9.105 2.234 19.976 1.00 20.33 N ATOM 542 CA SER A 60 8.238 3.209 20.664 1.00 22.94 C ATOM 543 C SER A 60 6.922 3.376 19.913 1.00 22.13 C ATOM 544 O SER A 60 5.832 3.306 20.479 1.00 26.15 O ATOM 545 CB SER A 60 8.996 4.539 20.769 1.00 28.12 C ATOM 546 OG SER A 60 8.251 5.487 21.521 1.00 34.05 O ATOM 547 HG SER A 60 7.381 5.649 21.077 1.00 0.00 H ATOM 548 H SER A 60 10.016 2.559 19.593 1.00 0.00 H ATOM 549 N HIS A 61 6.981 3.654 18.629 1.00 21.42 N ATOM 550 CA HIS A 61 5.746 3.778 17.893 1.00 21.41 C ATOM 551 C HIS A 61 4.891 2.552 18.010 1.00 21.64 C ATOM 552 O HIS A 61 3.668 2.654 18.214 1.00 22.46 O ATOM 553 CB HIS A 61 6.048 4.178 16.467 1.00 21.06 C ATOM 554 CG HIS A 61 4.824 4.346 15.606 1.00 21.50 C ATOM 555 ND1 HIS A 61 3.863 5.253 15.887 1.00 23.78 N ATOM 556 CD2 HIS A 61 4.395 3.660 14.455 1.00 23.91 C ATOM 557 CE1 HIS A 61 2.896 5.185 14.935 1.00 24.64 C ATOM 558 NE2 HIS A 61 3.221 4.219 14.071 1.00 24.69 N ATOM 559 H HIS A 61 7.898 3.782 18.154 1.00 0.00 H ATOM 560 N SER A 62 5.512 1.368 17.915 1.00 22.14 N ATOM 561 CA SER A 62 4.791 0.117 18.018 1.00 23.16 C ATOM 562 C SER A 62 4.132 -0.001 19.387 1.00 23.03 C ATOM 563 O SER A 62 3.002 -0.456 19.483 1.00 24.36 O ATOM 564 CB SER A 62 5.742 -1.059 17.821 1.00 25.98 C ATOM 565 OG SER A 62 5.984 -1.213 16.429 1.00 27.20 O ATOM 566 HG SER A 62 6.391 -0.384 16.072 1.00 0.00 H ATOM 567 H SER A 62 6.541 1.348 17.763 1.00 0.00 H ATOM 568 N SER A 63 4.872 0.388 20.412 1.00 27.52 N ATOM 569 CA SER A 63 4.328 0.435 21.784 1.00 30.02 C ATOM 570 C SER A 63 3.071 1.347 21.837 1.00 33.70 C ATOM 571 O SER A 63 1.984 0.908 22.276 1.00 36.51 O ATOM 572 CB SER A 63 5.398 0.839 22.813 1.00 29.93 C ATOM 573 OG SER A 63 4.804 0.920 24.111 1.00 31.92 O ATOM 574 HG SER A 63 5.493 1.180 24.772 1.00 0.00 H ATOM 575 H SER A 63 5.860 0.667 20.248 1.00 0.00 H ATOM 576 N ARG A 64 3.216 2.578 21.354 1.00 33.14 N ATOM 577 CA ARG A 64 2.104 3.518 21.278 1.00 34.63 C ATOM 578 C ARG A 64 0.880 2.948 20.530 1.00 36.96 C ATOM 579 O ARG A 64 -0.263 3.176 20.961 1.00 37.50 O ATOM 580 CB ARG A 64 2.576 4.838 20.672 1.00 42.15 C ATOM 581 CG ARG A 64 1.565 5.966 20.792 1.00 54.62 C ATOM 582 CD ARG A 64 2.223 7.306 20.529 1.00 63.83 C ATOM 583 NE ARG A 64 2.413 7.521 19.101 1.00 69.86 N ATOM 584 CZ ARG A 64 3.374 8.275 18.580 1.00 80.12 C ATOM 585 NH1 ARG A 64 3.468 8.407 17.260 1.00 79.98 N ATOM 586 NH2 ARG A 64 4.251 8.887 19.374 1.00 84.82 N ATOM 587 HE ARG A 64 1.753 7.054 18.447 1.00 0.00 H ATOM 588 HH12 ARG A 64 4.219 8.997 16.849 1.00 0.00 H ATOM 589 HH11 ARG A 64 2.790 7.921 16.639 1.00 0.00 H ATOM 590 HH22 ARG A 64 5.002 9.477 18.962 1.00 0.00 H ATOM 591 HH21 ARG A 64 4.185 8.775 20.406 1.00 0.00 H ATOM 592 H ARG A 64 4.153 2.880 21.020 1.00 0.00 H ATOM 593 N LEU A 65 1.103 2.186 19.451 1.00 28.40 N ATOM 594 CA LEU A 65 0.016 1.667 18.640 1.00 29.87 C ATOM 595 C LEU A 65 -0.598 0.406 19.212 1.00 29.98 C ATOM 596 O LEU A 65 -1.642 -0.057 18.713 1.00 29.92 O ATOM 597 CB LEU A 65 0.466 1.346 17.203 1.00 28.28 C ATOM 598 CG LEU A 65 0.836 2.438 16.210 1.00 30.84 C ATOM 599 CD1 LEU A 65 1.162 1.778 14.879 1.00 32.96 C ATOM 600 CD2 LEU A 65 -0.284 3.446 16.030 1.00 32.80 C ATOM 601 H LEU A 65 2.083 1.960 19.187 1.00 0.00 H ATOM 602 N LYS A 66 0.076 -0.145 20.226 1.00 28.14 N ATOM 603 CA LYS A 66 -0.185 -1.472 20.803 1.00 30.12 C ATOM 604 C LYS A 66 -0.148 -2.613 19.772 1.00 31.49 C ATOM 605 O LYS A 66 -1.000 -3.506 19.822 1.00 33.21 O ATOM 606 CB LYS A 66 -1.498 -1.531 21.638 1.00 34.38 C ATOM 607 CG LYS A 66 -2.253 -0.211 21.812 1.00 38.41 C ATOM 608 CD LYS A 66 -1.815 0.572 23.039 1.00 39.78 C ATOM 609 CE LYS A 66 -2.309 -0.103 24.314 1.00 41.18 C ATOM 610 NZ LYS A 66 -1.766 0.522 25.555 1.00 47.04 N ATOM 611 HZ1 LYS A 66 -0.728 0.460 25.547 1.00 0.00 H ATOM 612 HZ2 LYS A 66 -2.055 1.520 25.594 1.00 0.00 H ATOM 613 HZ3 LYS A 66 -2.138 0.019 26.386 1.00 0.00 H ATOM 614 H LYS A 66 0.850 0.411 20.642 1.00 0.00 H ATOM 615 N VAL A 67 0.823 -2.591 18.845 1.00 26.68 N ATOM 616 CA VAL A 67 1.038 -3.704 17.882 1.00 25.30 C ATOM 617 C VAL A 67 2.066 -4.670 18.447 1.00 26.89 C ATOM 618 O VAL A 67 2.899 -4.291 19.269 1.00 24.78 O ATOM 619 CB VAL A 67 1.554 -3.275 16.478 1.00 26.23 C ATOM 620 CG1 VAL A 67 0.498 -2.431 15.776 1.00 28.37 C ATOM 621 CG2 VAL A 67 2.867 -2.502 16.568 1.00 29.49 C ATOM 622 H VAL A 67 1.450 -1.763 18.798 1.00 0.00 H ATOM 623 N THR A 68 2.010 -5.904 17.995 1.00 23.77 N ATOM 624 CA THR A 68 2.926 -6.914 18.499 1.00 25.62 C ATOM 625 C THR A 68 3.599 -7.565 17.325 1.00 21.65 C ATOM 626 O THR A 68 4.239 -8.558 17.481 1.00 21.65 O ATOM 627 CB THR A 68 2.184 -7.954 19.393 1.00 26.80 C ATOM 628 OG1 THR A 68 1.187 -8.605 18.624 1.00 28.63 O ATOM 629 CG2 THR A 68 1.466 -7.262 20.586 1.00 27.25 C ATOM 630 HG1 THR A 68 1.612 -9.068 17.859 1.00 0.00 H ATOM 631 H THR A 68 1.306 -6.159 17.273 1.00 0.00 H ATOM 632 N THR A 69 3.461 -6.995 16.114 1.00 21.08 N ATOM 633 CA THR A 69 4.161 -7.507 14.938 1.00 19.33 C ATOM 634 C THR A 69 4.639 -6.300 14.091 1.00 20.81 C ATOM 635 O THR A 69 3.875 -5.337 13.885 1.00 20.01 O ATOM 636 CB THR A 69 3.201 -8.334 14.040 1.00 22.06 C ATOM 637 OG1 THR A 69 2.763 -9.499 14.743 1.00 23.32 O ATOM 638 CG2 THR A 69 3.807 -8.801 12.696 1.00 21.53 C ATOM 639 HG1 THR A 69 2.287 -9.226 15.567 1.00 0.00 H ATOM 640 H THR A 69 2.839 -6.168 16.012 1.00 0.00 H ATOM 641 N VAL A 70 5.890 -6.388 13.625 1.00 18.67 N ATOM 642 CA VAL A 70 6.515 -5.312 12.828 1.00 18.82 C ATOM 643 C VAL A 70 7.096 -5.989 11.625 1.00 17.99 C ATOM 644 O VAL A 70 7.817 -6.996 11.729 1.00 20.29 O ATOM 645 CB VAL A 70 7.633 -4.551 13.583 1.00 18.50 C ATOM 646 CG1 VAL A 70 8.406 -3.639 12.612 1.00 20.54 C ATOM 647 CG2 VAL A 70 7.029 -3.803 14.735 1.00 19.99 C ATOM 648 H VAL A 70 6.443 -7.245 13.831 1.00 0.00 H ATOM 649 N ILE A 71 6.703 -5.523 10.432 1.00 18.31 N ATOM 650 CA ILE A 71 7.341 -6.025 9.212 1.00 16.10 C ATOM 651 C ILE A 71 8.364 -5.018 8.659 1.00 18.47 C ATOM 652 O ILE A 71 8.016 -3.822 8.459 1.00 16.85 O ATOM 653 CB ILE A 71 6.263 -6.288 8.081 1.00 18.63 C ATOM 654 CG1 ILE A 71 5.002 -6.986 8.644 1.00 20.42 C ATOM 655 CG2 ILE A 71 6.925 -6.972 6.907 1.00 18.16 C ATOM 656 CD1 ILE A 71 5.263 -8.417 9.053 1.00 23.59 C ATOM 657 H ILE A 71 5.949 -4.809 10.372 1.00 0.00 H ATOM 658 N LEU A 72 9.613 -5.447 8.491 1.00 18.11 N ATOM 659 CA LEU A 72 10.664 -4.612 7.883 1.00 19.78 C ATOM 660 C LEU A 72 10.690 -4.961 6.414 1.00 17.30 C ATOM 661 O LEU A 72 11.123 -6.040 6.029 1.00 19.08 O ATOM 662 CB LEU A 72 12.051 -4.853 8.532 1.00 18.68 C ATOM 663 CG LEU A 72 12.071 -4.542 10.042 1.00 19.83 C ATOM 664 CD1 LEU A 72 13.466 -4.883 10.531 1.00 21.66 C ATOM 665 CD2 LEU A 72 11.762 -3.062 10.338 1.00 21.22 C ATOM 666 H LEU A 72 9.857 -6.409 8.801 1.00 0.00 H ATOM 667 N TYR A 73 10.163 -4.061 5.591 1.00 16.74 N ATOM 668 CA TYR A 73 9.942 -4.282 4.174 1.00 17.58 C ATOM 669 C TYR A 73 10.867 -3.377 3.384 1.00 19.22 C ATOM 670 O TYR A 73 10.620 -2.158 3.289 1.00 16.48 O ATOM 671 CB TYR A 73 8.493 -3.884 3.882 1.00 19.28 C ATOM 672 CG TYR A 73 7.989 -4.397 2.557 1.00 20.34 C ATOM 673 CD1 TYR A 73 7.805 -3.526 1.478 1.00 21.13 C ATOM 674 CD2 TYR A 73 7.737 -5.756 2.374 1.00 21.17 C ATOM 675 CE1 TYR A 73 7.302 -3.994 0.263 1.00 21.91 C ATOM 676 CE2 TYR A 73 7.253 -6.238 1.171 1.00 21.66 C ATOM 677 CZ TYR A 73 7.071 -5.356 0.100 1.00 22.20 C ATOM 678 OH TYR A 73 6.570 -5.868 -1.078 1.00 23.00 O ATOM 679 HH TYR A 73 6.492 -5.141 -1.746 1.00 0.00 H ATOM 680 H TYR A 73 9.891 -3.139 5.988 1.00 0.00 H ATOM 681 N PRO A 74 11.947 -3.944 2.816 1.00 18.43 N ATOM 682 CA PRO A 74 12.905 -3.175 2.024 1.00 18.08 C ATOM 683 C PRO A 74 12.190 -2.470 0.843 1.00 19.76 C ATOM 684 O PRO A 74 11.328 -3.067 0.176 1.00 20.71 O ATOM 685 CB PRO A 74 13.889 -4.248 1.505 1.00 18.99 C ATOM 686 CG PRO A 74 13.765 -5.385 2.443 1.00 23.60 C ATOM 687 CD PRO A 74 12.327 -5.369 2.941 1.00 21.24 C ATOM 688 N TYR A 75 12.486 -1.184 0.675 1.00 18.19 N ATOM 689 CA TYR A 75 11.744 -0.373 -0.315 1.00 20.35 C ATOM 690 C TYR A 75 12.684 0.652 -0.915 1.00 22.55 C ATOM 691 O TYR A 75 13.340 1.382 -0.207 1.00 23.50 O ATOM 692 CB TYR A 75 10.476 0.273 0.323 1.00 20.51 C ATOM 693 CG TYR A 75 9.363 0.527 -0.668 1.00 24.00 C ATOM 694 CD1 TYR A 75 8.678 -0.557 -1.267 1.00 26.00 C ATOM 695 CD2 TYR A 75 8.998 1.815 -1.023 1.00 27.97 C ATOM 696 CE1 TYR A 75 7.659 -0.348 -2.183 1.00 29.56 C ATOM 697 CE2 TYR A 75 7.986 2.029 -1.962 1.00 28.61 C ATOM 698 CZ TYR A 75 7.320 0.953 -2.533 1.00 29.90 C ATOM 699 OH TYR A 75 6.289 1.200 -3.442 1.00 32.30 O ATOM 700 HH TYR A 75 5.916 0.339 -3.758 1.00 0.00 H ATOM 701 H TYR A 75 13.241 -0.748 1.241 1.00 0.00 H ATOM 702 N ALA A 76 12.811 0.701 -2.238 1.00 23.50 N ATOM 703 CA ALA A 76 13.807 1.603 -2.828 1.00 23.45 C ATOM 704 C ALA A 76 13.319 3.006 -3.079 1.00 23.04 C ATOM 705 O ALA A 76 14.100 3.880 -3.457 1.00 29.75 O ATOM 706 CB ALA A 76 14.328 1.015 -4.136 1.00 28.09 C ATOM 707 H ALA A 76 12.212 0.108 -2.847 1.00 0.00 H ATOM 708 N HIS A 77 12.029 3.241 -2.893 1.00 23.22 N ATOM 709 CA HIS A 77 11.431 4.439 -3.459 1.00 23.62 C ATOM 710 C HIS A 77 11.109 5.572 -2.537 1.00 22.81 C ATOM 711 O HIS A 77 10.568 6.569 -2.964 1.00 21.99 O ATOM 712 CB HIS A 77 10.237 4.031 -4.340 1.00 26.46 C ATOM 713 CG HIS A 77 10.650 3.171 -5.491 1.00 29.04 C ATOM 714 ND1 HIS A 77 11.435 3.633 -6.496 1.00 33.05 N ATOM 715 CD2 HIS A 77 10.428 1.837 -5.749 1.00 30.07 C ATOM 716 CE1 HIS A 77 11.672 2.639 -7.365 1.00 31.22 C ATOM 717 NE2 HIS A 77 11.057 1.540 -6.906 1.00 33.34 N ATOM 718 H HIS A 77 11.448 2.574 -2.346 1.00 0.00 H ATOM 719 N LEU A 78 11.498 5.487 -1.264 1.00 20.48 N ATOM 720 CA LEU A 78 11.120 6.565 -0.347 1.00 21.03 C ATOM 721 C LEU A 78 12.011 7.793 -0.350 1.00 21.83 C ATOM 722 O LEU A 78 11.627 8.822 0.208 1.00 25.86 O ATOM 723 CB LEU A 78 11.029 6.035 1.099 1.00 19.85 C ATOM 724 CG LEU A 78 10.047 4.900 1.313 1.00 20.82 C ATOM 725 CD1 LEU A 78 10.075 4.598 2.810 1.00 22.22 C ATOM 726 CD2 LEU A 78 8.643 5.255 0.892 1.00 22.64 C ATOM 727 H LEU A 78 12.056 4.675 -0.931 1.00 0.00 H ATOM 728 N SER A 79 13.177 7.710 -1.004 1.00 20.07 N ATOM 729 CA SER A 79 14.065 8.875 -1.038 1.00 23.30 C ATOM 730 C SER A 79 14.960 8.820 -2.285 1.00 21.50 C ATOM 731 O SER A 79 14.988 7.785 -2.975 1.00 22.61 O ATOM 732 CB SER A 79 14.915 8.924 0.248 1.00 24.79 C ATOM 733 OG SER A 79 16.171 8.264 0.133 1.00 22.21 O ATOM 734 HG SER A 79 16.660 8.335 0.991 1.00 0.00 H ATOM 735 H SER A 79 13.449 6.828 -1.483 1.00 0.00 H ATOM 736 N SER A 80 15.742 9.905 -2.489 1.00 21.16 N ATOM 737 CA SER A 80 16.662 9.998 -3.609 1.00 22.87 C ATOM 738 C SER A 80 18.126 10.077 -3.162 1.00 21.07 C ATOM 739 O SER A 80 18.922 10.845 -3.689 1.00 21.09 O ATOM 740 CB SER A 80 16.247 11.204 -4.484 1.00 21.66 C ATOM 741 OG SER A 80 15.103 10.855 -5.226 1.00 26.08 O ATOM 742 HG SER A 80 14.830 11.622 -5.790 1.00 0.00 H ATOM 743 H SER A 80 15.682 10.700 -1.821 1.00 0.00 H ATOM 744 N ARG A 81 18.489 9.257 -2.173 1.00 21.19 N ATOM 745 CA ARG A 81 19.882 9.169 -1.699 1.00 22.87 C ATOM 746 C ARG A 81 20.172 7.758 -1.178 1.00 21.65 C ATOM 747 O ARG A 81 20.724 7.578 -0.062 1.00 19.55 O ATOM 748 CB ARG A 81 20.229 10.281 -0.686 1.00 28.11 C ATOM 749 CG ARG A 81 19.072 10.677 0.210 1.00 30.94 C ATOM 750 CD ARG A 81 19.449 11.828 1.133 1.00 34.61 C ATOM 751 NE ARG A 81 18.484 11.917 2.230 1.00 37.03 N ATOM 752 CZ ARG A 81 18.507 12.838 3.194 1.00 39.24 C ATOM 753 NH1 ARG A 81 19.441 13.786 3.194 1.00 38.39 N ATOM 754 NH2 ARG A 81 17.573 12.825 4.143 1.00 39.07 N ATOM 755 HE ARG A 81 17.723 11.209 2.260 1.00 0.00 H ATOM 756 HH12 ARG A 81 19.455 14.502 3.948 1.00 0.00 H ATOM 757 HH11 ARG A 81 20.157 13.811 2.440 1.00 0.00 H ATOM 758 HH22 ARG A 81 17.587 13.542 4.897 1.00 0.00 H ATOM 759 HH21 ARG A 81 16.829 12.098 4.131 1.00 0.00 H ATOM 760 H ARG A 81 17.766 8.661 -1.722 1.00 0.00 H ATOM 761 N LEU A 82 19.804 6.770 -2.023 1.00 20.64 N ATOM 762 CA LEU A 82 19.934 5.342 -1.683 1.00 20.60 C ATOM 763 C LEU A 82 21.365 4.934 -1.414 1.00 24.18 C ATOM 764 O LEU A 82 22.301 5.391 -2.094 1.00 24.81 O ATOM 765 CB LEU A 82 19.412 4.437 -2.781 1.00 22.44 C ATOM 766 CG LEU A 82 17.916 4.217 -2.798 1.00 24.27 C ATOM 767 CD1 LEU A 82 17.583 3.147 -3.820 1.00 23.40 C ATOM 768 CD2 LEU A 82 17.388 3.842 -1.434 1.00 27.33 C ATOM 769 H LEU A 82 19.413 7.028 -2.952 1.00 0.00 H ATOM 770 N ALA A 83 21.533 4.060 -0.423 1.00 20.04 N ATOM 771 CA ALA A 83 22.796 3.351 -0.269 1.00 21.41 C ATOM 772 C ALA A 83 22.839 2.280 -1.382 1.00 19.76 C ATOM 773 O ALA A 83 21.797 1.913 -1.925 1.00 21.44 O ATOM 774 CB ALA A 83 22.868 2.676 1.091 1.00 20.41 C ATOM 775 H ALA A 83 20.757 3.883 0.246 1.00 0.00 H ATOM 776 N LYS A 84 24.043 1.754 -1.667 1.00 23.88 N ATOM 777 CA LYS A 84 24.214 0.596 -2.544 1.00 24.58 C ATOM 778 C LYS A 84 23.603 -0.675 -1.965 1.00 26.35 C ATOM 779 O LYS A 84 23.435 -0.781 -0.723 1.00 24.17 O ATOM 780 CB LYS A 84 25.709 0.324 -2.775 1.00 29.63 C ATOM 781 CG LYS A 84 26.450 1.480 -3.407 1.00 33.29 C ATOM 782 CD LYS A 84 27.941 1.207 -3.344 1.00 38.95 C ATOM 783 CE LYS A 84 28.691 2.032 -4.372 1.00 38.64 C ATOM 784 NZ LYS A 84 30.051 1.432 -4.551 1.00 40.91 N ATOM 785 HZ1 LYS A 84 30.557 1.446 -3.642 1.00 0.00 H ATOM 786 HZ2 LYS A 84 29.955 0.450 -4.881 1.00 0.00 H ATOM 787 HZ3 LYS A 84 30.583 1.984 -5.254 1.00 0.00 H ATOM 788 H LYS A 84 24.889 2.189 -1.246 1.00 0.00 H ATOM 789 N PRO A 85 23.299 -1.656 -2.824 1.00 26.05 N ATOM 790 CA PRO A 85 22.548 -2.805 -2.332 1.00 28.34 C ATOM 791 C PRO A 85 23.240 -3.604 -1.254 1.00 27.59 C ATOM 792 O PRO A 85 22.552 -4.055 -0.349 1.00 30.31 O ATOM 793 CB PRO A 85 22.361 -3.665 -3.584 1.00 30.75 C ATOM 794 CG PRO A 85 22.308 -2.654 -4.685 1.00 30.66 C ATOM 795 CD PRO A 85 23.365 -1.665 -4.307 1.00 25.86 C ATOM 796 N MET A 86 24.553 -3.812 -1.360 1.00 26.77 N ATOM 797 CA MET A 86 25.281 -4.543 -0.291 1.00 30.86 C ATOM 798 C MET A 86 25.189 -3.862 1.068 1.00 26.26 C ATOM 799 O MET A 86 24.840 -4.520 2.048 1.00 24.62 O ATOM 800 CB MET A 86 26.758 -4.740 -0.662 1.00 37.52 C ATOM 801 CG MET A 86 26.918 -5.811 -1.732 1.00 48.07 C ATOM 802 SD MET A 86 28.237 -6.974 -1.309 1.00 66.44 S ATOM 803 CE MET A 86 29.688 -6.187 -2.048 1.00 58.10 C ATOM 804 H MET A 86 25.068 -3.462 -2.193 1.00 0.00 H ATOM 805 N ALA A 87 25.485 -2.559 1.103 1.00 27.79 N ATOM 806 CA ALA A 87 25.384 -1.767 2.334 1.00 25.69 C ATOM 807 C ALA A 87 23.959 -1.804 2.879 1.00 23.95 C ATOM 808 O ALA A 87 23.765 -1.998 4.094 1.00 23.24 O ATOM 809 CB ALA A 87 25.855 -0.320 2.114 1.00 25.51 C ATOM 810 H ALA A 87 25.797 -2.091 0.228 1.00 0.00 H ATOM 811 N ALA A 88 22.953 -1.647 2.000 1.00 22.64 N ATOM 812 CA ALA A 88 21.539 -1.614 2.427 1.00 21.56 C ATOM 813 C ALA A 88 21.138 -2.927 3.039 1.00 21.32 C ATOM 814 O ALA A 88 20.447 -2.965 4.050 1.00 18.62 O ATOM 815 CB ALA A 88 20.600 -1.270 1.241 1.00 21.29 C ATOM 816 H ALA A 88 23.177 -1.546 0.990 1.00 0.00 H ATOM 817 N HIS A 89 21.544 -4.039 2.421 1.00 22.23 N ATOM 818 CA HIS A 89 21.184 -5.343 2.971 1.00 21.57 C ATOM 819 C HIS A 89 21.847 -5.513 4.334 1.00 21.93 C ATOM 820 O HIS A 89 21.224 -6.051 5.262 1.00 21.88 O ATOM 821 CB HIS A 89 21.641 -6.430 2.028 1.00 22.30 C ATOM 822 CG HIS A 89 21.238 -7.806 2.440 1.00 24.68 C ATOM 823 ND1 HIS A 89 22.142 -8.787 2.640 1.00 28.06 N ATOM 824 CD2 HIS A 89 19.995 -8.360 2.716 1.00 23.21 C ATOM 825 CE1 HIS A 89 21.504 -9.912 2.979 1.00 26.31 C ATOM 826 NE2 HIS A 89 20.194 -9.652 3.007 1.00 27.69 N ATOM 827 H HIS A 89 22.113 -3.977 1.553 1.00 0.00 H ATOM 828 N LYS A 90 23.074 -5.030 4.467 1.00 21.57 N ATOM 829 CA LYS A 90 23.741 -5.115 5.776 1.00 23.25 C ATOM 830 C LYS A 90 23.026 -4.277 6.846 1.00 22.21 C ATOM 831 O LYS A 90 22.784 -4.739 7.984 1.00 23.80 O ATOM 832 CB LYS A 90 25.195 -4.647 5.690 1.00 27.38 C ATOM 833 CG LYS A 90 25.994 -5.159 6.887 1.00 35.66 C ATOM 834 CD LYS A 90 27.397 -4.577 7.021 1.00 38.31 C ATOM 835 CE LYS A 90 28.370 -5.671 7.429 1.00 47.33 C ATOM 836 NZ LYS A 90 28.538 -6.608 6.273 1.00 47.40 N ATOM 837 HZ1 LYS A 90 27.616 -7.023 6.028 1.00 0.00 H ATOM 838 HZ2 LYS A 90 28.912 -6.085 5.456 1.00 0.00 H ATOM 839 HZ3 LYS A 90 29.202 -7.364 6.535 1.00 0.00 H ATOM 840 H LYS A 90 23.560 -4.596 3.656 1.00 0.00 H ATOM 841 N ARG A 91 22.745 -3.030 6.498 1.00 20.27 N ATOM 842 CA ARG A 91 21.977 -2.153 7.427 1.00 18.50 C ATOM 843 C ARG A 91 20.608 -2.743 7.775 1.00 18.59 C ATOM 844 O ARG A 91 20.161 -2.596 8.886 1.00 17.65 O ATOM 845 CB ARG A 91 21.803 -0.739 6.891 1.00 20.73 C ATOM 846 CG ARG A 91 22.997 0.119 6.585 1.00 25.87 C ATOM 847 CD ARG A 91 23.791 0.616 7.803 1.00 29.86 C ATOM 848 NE ARG A 91 24.799 -0.340 8.140 1.00 29.41 N ATOM 849 CZ ARG A 91 25.874 -0.608 7.398 1.00 33.87 C ATOM 850 NH1 ARG A 91 26.113 0.049 6.244 1.00 33.08 N ATOM 851 NH2 ARG A 91 26.733 -1.544 7.820 1.00 35.98 N ATOM 852 HE ARG A 91 24.685 -0.866 9.030 1.00 0.00 H ATOM 853 HH12 ARG A 91 26.958 -0.177 5.682 1.00 0.00 H ATOM 854 HH11 ARG A 91 25.452 0.782 5.916 1.00 0.00 H ATOM 855 HH22 ARG A 91 27.577 -1.767 7.255 1.00 0.00 H ATOM 856 HH21 ARG A 91 26.556 -2.048 8.712 1.00 0.00 H ATOM 857 H ARG A 91 23.060 -2.663 5.577 1.00 0.00 H ATOM 858 N LEU A 92 19.903 -3.375 6.825 1.00 17.44 N ATOM 859 CA LEU A 92 18.576 -3.915 7.135 1.00 17.15 C ATOM 860 C LEU A 92 18.677 -5.133 8.059 1.00 18.93 C ATOM 861 O LEU A 92 17.857 -5.340 8.937 1.00 16.46 O ATOM 862 CB LEU A 92 17.886 -4.316 5.813 1.00 20.77 C ATOM 863 CG LEU A 92 17.127 -3.126 5.195 1.00 21.67 C ATOM 864 CD1 LEU A 92 16.857 -3.296 3.706 1.00 25.25 C ATOM 865 CD2 LEU A 92 15.807 -2.994 5.992 1.00 25.64 C ATOM 866 H LEU A 92 20.298 -3.482 5.869 1.00 0.00 H ATOM 867 N ILE A 93 19.714 -5.931 7.865 1.00 18.66 N ATOM 868 CA ILE A 93 19.995 -7.041 8.816 1.00 18.05 C ATOM 869 C ILE A 93 20.309 -6.489 10.203 1.00 17.72 C ATOM 870 O ILE A 93 19.742 -6.977 11.188 1.00 18.30 O ATOM 871 CB ILE A 93 21.136 -7.924 8.299 1.00 18.57 C ATOM 872 CG1 ILE A 93 20.619 -8.665 7.081 1.00 19.73 C ATOM 873 CG2 ILE A 93 21.490 -8.987 9.319 1.00 18.55 C ATOM 874 CD1 ILE A 93 21.728 -9.307 6.297 1.00 21.88 C ATOM 875 H ILE A 93 20.336 -5.782 7.045 1.00 0.00 H ATOM 876 N GLU A 94 21.183 -5.482 10.278 1.00 18.92 N ATOM 877 CA GLU A 94 21.434 -4.775 11.581 1.00 20.52 C ATOM 878 C GLU A 94 20.184 -4.189 12.201 1.00 18.14 C ATOM 879 O GLU A 94 20.002 -4.236 13.466 1.00 18.17 O ATOM 880 CB GLU A 94 22.471 -3.654 11.454 1.00 19.38 C ATOM 881 CG GLU A 94 23.864 -4.158 11.104 1.00 26.19 C ATOM 882 CD GLU A 94 24.748 -3.048 10.576 1.00 27.89 C ATOM 883 OE1 GLU A 94 25.941 -3.316 10.284 1.00 34.71 O ATOM 884 OE2 GLU A 94 24.269 -1.910 10.467 1.00 30.68 O ATOM 885 H GLU A 94 21.696 -5.183 9.424 1.00 0.00 H ATOM 886 N LEU A 95 19.329 -3.572 11.378 1.00 17.33 N ATOM 887 CA LEU A 95 18.085 -3.038 11.906 1.00 15.78 C ATOM 888 C LEU A 95 17.172 -4.093 12.507 1.00 16.40 C ATOM 889 O LEU A 95 16.621 -3.913 13.582 1.00 16.51 O ATOM 890 CB LEU A 95 17.313 -2.270 10.803 1.00 16.68 C ATOM 891 CG LEU A 95 15.994 -1.662 11.260 1.00 15.92 C ATOM 892 CD1 LEU A 95 16.167 -0.653 12.401 1.00 18.00 C ATOM 893 CD2 LEU A 95 15.328 -0.954 10.066 1.00 17.79 C ATOM 894 H LEU A 95 19.553 -3.475 10.367 1.00 0.00 H ATOM 895 N GLU A 96 17.086 -5.220 11.838 1.00 15.67 N ATOM 896 CA GLU A 96 16.285 -6.345 12.329 1.00 18.86 C ATOM 897 C GLU A 96 16.806 -6.771 13.687 1.00 18.59 C ATOM 898 O GLU A 96 16.036 -6.888 14.636 1.00 18.79 O ATOM 899 CB GLU A 96 16.371 -7.494 11.327 1.00 20.53 C ATOM 900 CG GLU A 96 15.579 -8.714 11.814 1.00 21.16 C ATOM 901 CD GLU A 96 15.932 -9.984 11.032 1.00 22.82 C ATOM 902 OE1 GLU A 96 16.713 -9.911 10.051 1.00 22.93 O ATOM 903 OE2 GLU A 96 15.307 -11.036 11.362 1.00 25.65 O ATOM 904 H GLU A 96 17.599 -5.316 10.938 1.00 0.00 H ATOM 905 N GLY A 97 18.131 -6.945 13.761 1.00 18.90 N ATOM 906 CA GLY A 97 18.790 -7.305 15.017 1.00 20.39 C ATOM 907 C GLY A 97 18.556 -6.321 16.133 1.00 19.25 C ATOM 908 O GLY A 97 18.218 -6.723 17.255 1.00 17.41 O ATOM 909 H GLY A 97 18.707 -6.821 12.904 1.00 0.00 H ATOM 910 N ALA A 98 18.745 -5.041 15.814 1.00 18.09 N ATOM 911 CA ALA A 98 18.529 -3.925 16.781 1.00 19.30 C ATOM 912 C ALA A 98 17.102 -3.876 17.269 1.00 17.78 C ATOM 913 O ALA A 98 16.829 -3.683 18.473 1.00 18.29 O ATOM 914 CB ALA A 98 18.950 -2.581 16.190 1.00 19.25 C ATOM 915 H ALA A 98 19.057 -4.810 14.849 1.00 0.00 H ATOM 916 N LEU A 99 16.148 -4.053 16.355 1.00 16.09 N ATOM 917 CA LEU A 99 14.770 -3.973 16.758 1.00 15.14 C ATOM 918 C LEU A 99 14.418 -5.043 17.804 1.00 15.79 C ATOM 919 O LEU A 99 13.649 -4.746 18.748 1.00 16.88 O ATOM 920 CB LEU A 99 13.822 -4.086 15.525 1.00 15.03 C ATOM 921 CG LEU A 99 12.339 -3.903 15.794 1.00 15.07 C ATOM 922 CD1 LEU A 99 11.974 -2.583 16.456 1.00 15.67 C ATOM 923 CD2 LEU A 99 11.634 -3.985 14.458 1.00 15.94 C ATOM 924 H LEU A 99 16.397 -4.246 15.364 1.00 0.00 H ATOM 925 N ARG A 100 15.035 -6.226 17.672 1.00 16.80 N ATOM 926 CA ARG A 100 14.700 -7.321 18.582 1.00 18.57 C ATOM 927 C ARG A 100 15.169 -7.046 20.001 1.00 19.88 C ATOM 928 O ARG A 100 14.589 -7.583 20.970 1.00 19.82 O ATOM 929 CB ARG A 100 15.268 -8.647 18.113 1.00 18.67 C ATOM 930 CG ARG A 100 14.766 -9.068 16.772 1.00 18.57 C ATOM 931 CD ARG A 100 15.249 -10.491 16.499 1.00 19.69 C ATOM 932 NE ARG A 100 14.937 -10.907 15.122 1.00 21.69 N ATOM 933 CZ ARG A 100 13.737 -11.329 14.788 1.00 19.52 C ATOM 934 NH1 ARG A 100 12.775 -11.384 15.713 1.00 22.46 N ATOM 935 NH2 ARG A 100 13.484 -11.680 13.544 1.00 19.50 N ATOM 936 HE ARG A 100 15.682 -10.866 14.397 1.00 0.00 H ATOM 937 HH12 ARG A 100 11.824 -11.717 15.455 1.00 0.00 H ATOM 938 HH11 ARG A 100 12.977 -11.094 16.691 1.00 0.00 H ATOM 939 HH22 ARG A 100 12.535 -12.014 13.281 1.00 0.00 H ATOM 940 HH21 ARG A 100 14.233 -11.624 12.825 1.00 0.00 H ATOM 941 H ARG A 100 15.747 -6.364 16.927 1.00 0.00 H ATOM 942 N THR A 101 16.150 -6.156 20.128 1.00 18.63 N ATOM 943 CA THR A 101 16.584 -5.679 21.485 1.00 20.61 C ATOM 944 C THR A 101 15.712 -4.604 22.130 1.00 20.68 C ATOM 945 O THR A 101 15.969 -4.222 23.313 1.00 22.91 O ATOM 946 CB THR A 101 18.045 -5.124 21.434 1.00 20.96 C ATOM 947 OG1 THR A 101 18.095 -3.748 20.941 1.00 22.05 O ATOM 948 CG2 THR A 101 18.919 -6.046 20.653 1.00 21.64 C ATOM 949 HG1 THR A 101 17.719 -3.713 20.026 1.00 0.00 H ATOM 950 H THR A 101 16.622 -5.786 19.278 1.00 0.00 H ATOM 951 N LYS A 102 14.725 -4.073 21.370 1.00 18.80 N ATOM 952 CA LYS A 102 13.922 -2.949 21.823 1.00 19.83 C ATOM 953 C LYS A 102 12.410 -3.211 21.833 1.00 19.67 C ATOM 954 O LYS A 102 11.630 -2.494 22.502 1.00 21.84 O ATOM 955 CB LYS A 102 14.251 -1.690 20.999 1.00 21.54 C ATOM 956 CG LYS A 102 15.671 -1.169 21.150 1.00 24.29 C ATOM 957 CD LYS A 102 15.854 -0.633 22.583 1.00 30.38 C ATOM 958 CE LYS A 102 17.141 0.161 22.714 1.00 34.96 C ATOM 959 NZ LYS A 102 18.343 -0.734 22.584 1.00 41.22 N ATOM 960 HZ1 LYS A 102 18.319 -1.456 23.332 1.00 0.00 H ATOM 961 HZ2 LYS A 102 18.330 -1.197 21.653 1.00 0.00 H ATOM 962 HZ3 LYS A 102 19.209 -0.165 22.677 1.00 0.00 H ATOM 963 H LYS A 102 14.535 -4.482 20.433 1.00 0.00 H ATOM 964 N PHE A 103 12.012 -4.220 21.073 1.00 19.64 N ATOM 965 CA PHE A 103 10.622 -4.530 20.784 1.00 19.77 C ATOM 966 C PHE A 103 10.385 -6.010 21.030 1.00 18.73 C ATOM 967 O PHE A 103 11.065 -6.840 20.482 1.00 18.85 O ATOM 968 CB PHE A 103 10.369 -4.195 19.303 1.00 18.21 C ATOM 969 CG PHE A 103 9.033 -4.680 18.754 1.00 20.56 C ATOM 970 CD1 PHE A 103 7.806 -4.128 19.222 1.00 19.55 C ATOM 971 CD2 PHE A 103 9.016 -5.675 17.788 1.00 17.76 C ATOM 972 CE1 PHE A 103 6.576 -4.609 18.713 1.00 21.37 C ATOM 973 CE2 PHE A 103 7.797 -6.150 17.270 1.00 18.14 C ATOM 974 CZ PHE A 103 6.591 -5.616 17.746 1.00 18.98 C ATOM 975 H PHE A 103 12.743 -4.831 20.655 1.00 0.00 H ATOM 976 N PRO A 104 9.379 -6.357 21.854 1.00 20.54 N ATOM 977 CA PRO A 104 9.227 -7.760 22.219 1.00 19.87 C ATOM 978 C PRO A 104 8.367 -8.639 21.318 1.00 20.67 C ATOM 979 O PRO A 104 8.295 -9.857 21.532 1.00 21.12 O ATOM 980 CB PRO A 104 8.575 -7.667 23.604 1.00 20.13 C ATOM 981 CG PRO A 104 7.717 -6.467 23.484 1.00 19.49 C ATOM 982 CD PRO A 104 8.486 -5.477 22.627 1.00 19.59 C ATOM 983 N GLY A 105 7.779 -8.062 20.266 1.00 18.09 N ATOM 984 CA GLY A 105 6.868 -8.830 19.404 1.00 19.16 C ATOM 985 C GLY A 105 7.551 -9.463 18.205 1.00 18.59 C ATOM 986 O GLY A 105 8.754 -9.601 18.147 1.00 20.37 O ATOM 987 H GLY A 105 7.967 -7.061 20.055 1.00 0.00 H ATOM 988 N HIS A 106 6.739 -9.889 17.243 1.00 19.99 N ATOM 989 CA HIS A 106 7.251 -10.568 16.089 1.00 17.24 C ATOM 990 C HIS A 106 7.923 -9.573 15.174 1.00 19.10 C ATOM 991 O HIS A 106 7.352 -8.507 14.888 1.00 20.40 O ATOM 992 CB HIS A 106 6.034 -11.194 15.466 1.00 18.05 C ATOM 993 CG HIS A 106 6.272 -11.953 14.201 1.00 18.33 C ATOM 994 ND1 HIS A 106 5.218 -12.430 13.477 1.00 19.68 N ATOM 995 CD2 HIS A 106 7.425 -12.353 13.537 1.00 18.35 C ATOM 996 CE1 HIS A 106 5.697 -13.091 12.400 1.00 18.16 C ATOM 997 NE2 HIS A 106 7.028 -13.018 12.414 1.00 18.38 N ATOM 998 H HIS A 106 5.715 -9.727 17.329 1.00 0.00 H ATOM 999 N VAL A 107 9.147 -9.848 14.765 1.00 16.70 N ATOM 1000 CA VAL A 107 9.807 -8.978 13.773 1.00 17.73 C ATOM 1001 C VAL A 107 10.061 -9.826 12.547 1.00 19.08 C ATOM 1002 O VAL A 107 10.710 -10.862 12.609 1.00 19.74 O ATOM 1003 CB VAL A 107 11.166 -8.406 14.259 1.00 18.57 C ATOM 1004 CG1 VAL A 107 11.857 -7.631 13.148 1.00 18.62 C ATOM 1005 CG2 VAL A 107 11.039 -7.509 15.485 1.00 18.21 C ATOM 1006 H VAL A 107 9.647 -10.678 15.142 1.00 0.00 H ATOM 1007 N HIS A 108 9.586 -9.382 11.381 1.00 17.47 N ATOM 1008 CA HIS A 108 9.757 -10.159 10.187 1.00 19.18 C ATOM 1009 C HIS A 108 10.460 -9.307 9.211 1.00 21.10 C ATOM 1010 O HIS A 108 9.960 -8.210 8.894 1.00 19.11 O ATOM 1011 CB HIS A 108 8.397 -10.558 9.578 1.00 19.35 C ATOM 1012 CG HIS A 108 8.529 -11.339 8.300 1.00 19.66 C ATOM 1013 ND1 HIS A 108 8.603 -12.695 8.276 1.00 23.88 N ATOM 1014 CD2 HIS A 108 8.613 -10.926 6.975 1.00 20.52 C ATOM 1015 CE1 HIS A 108 8.724 -13.127 7.006 1.00 23.35 C ATOM 1016 NE2 HIS A 108 8.737 -12.050 6.205 1.00 21.65 N ATOM 1017 H HIS A 108 9.090 -8.469 11.338 1.00 0.00 H ATOM 1018 N ARG A 109 11.622 -9.753 8.726 1.00 19.62 N ATOM 1019 CA ARG A 109 12.290 -8.963 7.708 1.00 22.14 C ATOM 1020 C ARG A 109 11.991 -9.588 6.334 1.00 22.33 C ATOM 1021 O ARG A 109 12.361 -10.745 6.097 1.00 23.73 O ATOM 1022 CB ARG A 109 13.795 -8.876 7.941 1.00 23.46 C ATOM 1023 CG ARG A 109 14.568 -8.021 6.914 1.00 23.61 C ATOM 1024 CD ARG A 109 16.079 -8.028 7.190 1.00 26.45 C ATOM 1025 NE ARG A 109 16.749 -9.330 7.045 1.00 30.98 N ATOM 1026 CZ ARG A 109 17.071 -9.873 5.870 1.00 31.05 C ATOM 1027 NH1 ARG A 109 16.754 -9.275 4.717 1.00 39.28 N ATOM 1028 NH2 ARG A 109 17.703 -11.014 5.839 1.00 38.13 N ATOM 1029 HE ARG A 109 16.985 -9.858 7.909 1.00 0.00 H ATOM 1030 HH12 ARG A 109 17.015 -9.717 3.813 1.00 0.00 H ATOM 1031 HH11 ARG A 109 16.246 -8.368 4.724 1.00 0.00 H ATOM 1032 HH22 ARG A 109 17.957 -11.443 4.926 1.00 0.00 H ATOM 1033 HH21 ARG A 109 17.953 -11.494 6.727 1.00 0.00 H ATOM 1034 H ARG A 109 12.037 -10.643 9.069 1.00 0.00 H ATOM 1035 N ALA A 110 11.339 -8.830 5.452 1.00 21.28 N ATOM 1036 CA ALA A 110 11.009 -9.340 4.120 1.00 23.10 C ATOM 1037 C ALA A 110 12.309 -9.420 3.296 1.00 24.74 C ATOM 1038 O ALA A 110 13.277 -8.686 3.539 1.00 26.24 O ATOM 1039 CB ALA A 110 10.022 -8.410 3.431 1.00 22.10 C ATOM 1040 H ALA A 110 11.061 -7.863 5.714 1.00 0.00 H ATOM 1041 N PRO A 111 12.345 -10.324 2.286 1.00 27.81 N ATOM 1042 CA PRO A 111 13.551 -10.575 1.517 1.00 25.13 C ATOM 1043 C PRO A 111 14.031 -9.421 0.681 1.00 24.80 C ATOM 1044 O PRO A 111 13.226 -8.696 0.091 1.00 27.74 O ATOM 1045 CB PRO A 111 13.145 -11.774 0.607 1.00 27.75 C ATOM 1046 CG PRO A 111 11.675 -11.635 0.506 1.00 28.99 C ATOM 1047 CD PRO A 111 11.262 -11.235 1.890 1.00 25.17 C ATOM 1048 N PHE A 112 15.348 -9.265 0.617 1.00 22.82 N ATOM 1049 CA PHE A 112 15.961 -8.149 -0.076 1.00 21.97 C ATOM 1050 C PHE A 112 16.449 -8.511 -1.482 1.00 24.35 C ATOM 1051 O PHE A 112 17.010 -9.606 -1.673 1.00 28.34 O ATOM 1052 CB PHE A 112 17.142 -7.686 0.788 1.00 24.54 C ATOM 1053 CG PHE A 112 17.838 -6.457 0.303 1.00 23.22 C ATOM 1054 CD1 PHE A 112 18.819 -6.521 -0.703 1.00 21.83 C ATOM 1055 CD2 PHE A 112 17.591 -5.221 0.903 1.00 22.73 C ATOM 1056 CE1 PHE A 112 19.477 -5.388 -1.136 1.00 22.63 C ATOM 1057 CE2 PHE A 112 18.253 -4.086 0.470 1.00 21.75 C ATOM 1058 CZ PHE A 112 19.204 -4.165 -0.547 1.00 23.41 C ATOM 1059 H PHE A 112 15.960 -9.967 1.080 1.00 0.00 H ATOM 1060 N GLY A 113 16.243 -7.609 -2.445 1.00 22.90 N ATOM 1061 CA GLY A 113 16.751 -7.772 -3.813 1.00 26.20 C ATOM 1062 C GLY A 113 15.688 -8.327 -4.768 1.00 25.01 C ATOM 1063 O GLY A 113 16.027 -8.768 -5.877 1.00 32.76 O ATOM 1064 H GLY A 113 15.699 -6.753 -2.216 1.00 0.00 H ATOM 1065 N TRP A 114 14.420 -8.360 -4.353 1.00 26.05 N ATOM 1066 CA TRP A 114 13.361 -8.987 -5.170 1.00 24.53 C ATOM 1067 C TRP A 114 12.382 -7.956 -5.599 1.00 27.07 C ATOM 1068 O TRP A 114 12.115 -7.007 -4.838 1.00 25.56 O ATOM 1069 CB TRP A 114 12.611 -10.030 -4.347 1.00 25.57 C ATOM 1070 CG TRP A 114 13.465 -11.229 -4.128 1.00 26.36 C ATOM 1071 CD1 TRP A 114 14.387 -11.456 -3.082 1.00 24.89 C ATOM 1072 CD2 TRP A 114 13.622 -12.364 -5.048 1.00 26.62 C ATOM 1073 NE1 TRP A 114 15.023 -12.655 -3.246 1.00 27.76 N ATOM 1074 CE2 TRP A 114 14.597 -13.255 -4.436 1.00 29.09 C ATOM 1075 CE3 TRP A 114 13.026 -12.734 -6.261 1.00 26.85 C ATOM 1076 CZ2 TRP A 114 14.971 -14.459 -5.041 1.00 29.31 C ATOM 1077 CZ3 TRP A 114 13.396 -13.942 -6.835 1.00 28.38 C ATOM 1078 CH2 TRP A 114 14.352 -14.782 -6.235 1.00 29.19 C ATOM 1079 HE1 TRP A 114 15.718 -13.060 -2.586 1.00 0.00 H ATOM 1080 H TRP A 114 14.173 -7.936 -3.436 1.00 0.00 H ATOM 1081 N TYR A 115 11.823 -8.080 -6.816 1.00 26.43 N ATOM 1082 CA TYR A 115 10.511 -7.448 -7.055 1.00 24.74 C ATOM 1083 C TYR A 115 9.457 -8.206 -6.309 1.00 26.98 C ATOM 1084 O TYR A 115 9.499 -9.437 -6.211 1.00 24.96 O ATOM 1085 CB TYR A 115 10.117 -7.367 -8.545 1.00 27.54 C ATOM 1086 CG TYR A 115 11.076 -6.536 -9.355 1.00 26.95 C ATOM 1087 CD1 TYR A 115 11.137 -5.140 -9.192 1.00 29.81 C ATOM 1088 CD2 TYR A 115 11.950 -7.129 -10.237 1.00 29.59 C ATOM 1089 CE1 TYR A 115 12.044 -4.384 -9.886 1.00 27.20 C ATOM 1090 CE2 TYR A 115 12.849 -6.378 -10.969 1.00 27.15 C ATOM 1091 CZ TYR A 115 12.888 -5.008 -10.793 1.00 31.83 C ATOM 1092 OH TYR A 115 13.792 -4.262 -11.505 1.00 32.65 O ATOM 1093 HH TYR A 115 13.625 -4.380 -12.474 1.00 0.00 H ATOM 1094 H TYR A 115 12.304 -8.609 -7.571 1.00 0.00 H ATOM 1095 N LYS A 116 8.489 -7.493 -5.759 1.00 23.79 N ATOM 1096 CA LYS A 116 7.461 -8.176 -4.982 1.00 26.37 C ATOM 1097 C LYS A 116 6.080 -7.617 -5.235 1.00 27.36 C ATOM 1098 O LYS A 116 5.907 -6.418 -5.375 1.00 28.65 O ATOM 1099 CB LYS A 116 7.734 -8.028 -3.466 1.00 28.29 C ATOM 1100 CG LYS A 116 8.867 -8.854 -2.899 1.00 29.55 C ATOM 1101 CD LYS A 116 9.054 -8.539 -1.420 1.00 32.78 C ATOM 1102 CE LYS A 116 9.969 -7.331 -1.204 1.00 35.62 C ATOM 1103 NZ LYS A 116 11.336 -7.390 -1.808 1.00 32.65 N ATOM 1104 HZ1 LYS A 116 11.852 -8.203 -1.416 1.00 0.00 H ATOM 1105 HZ2 LYS A 116 11.254 -7.495 -2.839 1.00 0.00 H ATOM 1106 HZ3 LYS A 116 11.849 -6.513 -1.588 1.00 0.00 H ATOM 1107 H LYS A 116 8.461 -6.460 -5.879 1.00 0.00 H ATOM 1108 N SER A 117 5.079 -8.477 -5.208 1.00 26.73 N ATOM 1109 CA SER A 117 3.724 -8.046 -4.989 1.00 24.25 C ATOM 1110 C SER A 117 3.367 -7.970 -3.501 1.00 26.35 C ATOM 1111 O SER A 117 3.945 -8.654 -2.660 1.00 24.09 O ATOM 1112 CB SER A 117 2.739 -9.000 -5.694 1.00 27.19 C ATOM 1113 OG SER A 117 2.836 -10.310 -5.122 1.00 28.42 O ATOM 1114 HG SER A 117 2.201 -10.916 -5.579 1.00 0.00 H ATOM 1115 H SER A 117 5.274 -9.489 -5.348 1.00 0.00 H ATOM 1116 N PHE A 118 2.397 -7.156 -3.178 1.00 22.81 N ATOM 1117 CA PHE A 118 1.976 -7.030 -1.817 1.00 23.12 C ATOM 1118 C PHE A 118 0.582 -6.555 -1.821 1.00 23.92 C ATOM 1119 O PHE A 118 0.133 -5.998 -2.829 1.00 27.57 O ATOM 1120 CB PHE A 118 2.928 -6.104 -1.033 1.00 22.45 C ATOM 1121 CG PHE A 118 2.718 -4.614 -1.281 1.00 23.72 C ATOM 1122 CD1 PHE A 118 3.492 -3.956 -2.229 1.00 22.62 C ATOM 1123 CD2 PHE A 118 1.811 -3.890 -0.512 1.00 23.66 C ATOM 1124 CE1 PHE A 118 3.323 -2.587 -2.442 1.00 23.71 C ATOM 1125 CE2 PHE A 118 1.613 -2.531 -0.727 1.00 26.26 C ATOM 1126 CZ PHE A 118 2.379 -1.884 -1.686 1.00 22.07 C ATOM 1127 H PHE A 118 1.927 -6.595 -3.917 1.00 0.00 H ATOM 1128 N SER A 119 -0.114 -6.809 -0.721 1.00 25.22 N ATOM 1129 CA SER A 119 -1.388 -6.223 -0.443 1.00 25.37 C ATOM 1130 C SER A 119 -1.328 -5.786 0.976 1.00 28.31 C ATOM 1131 O SER A 119 -0.672 -6.414 1.826 1.00 27.45 O ATOM 1132 CB SER A 119 -2.533 -7.208 -0.683 1.00 31.65 C ATOM 1133 OG SER A 119 -2.179 -8.096 -1.729 1.00 40.50 O ATOM 1134 HG SER A 119 -2.920 -8.734 -1.884 1.00 0.00 H ATOM 1135 H SER A 119 0.288 -7.469 -0.025 1.00 0.00 H ATOM 1136 N ILE A 120 -1.974 -4.675 1.244 1.00 25.38 N ATOM 1137 CA ILE A 120 -2.065 -4.158 2.587 1.00 24.21 C ATOM 1138 C ILE A 120 -3.451 -3.685 2.673 1.00 25.60 C ATOM 1139 O ILE A 120 -4.086 -3.304 1.634 1.00 25.60 O ATOM 1140 CB ILE A 120 -1.076 -2.970 2.805 1.00 25.08 C ATOM 1141 CG1 ILE A 120 -1.077 -2.470 4.250 1.00 26.14 C ATOM 1142 CG2 ILE A 120 -1.489 -1.747 1.951 1.00 21.58 C ATOM 1143 CD1 ILE A 120 0.211 -1.766 4.676 1.00 27.46 C ATOM 1144 H ILE A 120 -2.432 -4.155 0.468 1.00 0.00 H ATOM 1145 N ALA A 121 -3.952 -3.708 3.887 1.00 26.22 N ATOM 1146 CA ALA A 121 -5.134 -3.018 4.221 1.00 26.70 C ATOM 1147 C ALA A 121 -4.722 -2.123 5.365 1.00 28.56 C ATOM 1148 O ALA A 121 -4.571 -2.560 6.495 1.00 32.04 O ATOM 1149 CB ALA A 121 -6.206 -4.007 4.625 1.00 27.39 C ATOM 1150 H ALA A 121 -3.461 -4.252 4.625 1.00 0.00 H ATOM 1151 N CYS A 122 -4.500 -0.852 5.060 1.00 24.06 N ATOM 1152 CA CYS A 122 -3.992 0.105 6.006 1.00 24.58 C ATOM 1153 C CYS A 122 -5.168 0.746 6.723 1.00 25.94 C ATOM 1154 O CYS A 122 -6.155 1.138 6.103 1.00 25.71 O ATOM 1155 CB CYS A 122 -3.180 1.142 5.234 1.00 29.05 C ATOM 1156 SG CYS A 122 -2.353 2.371 6.223 1.00 29.84 S ATOM 1157 H CYS A 122 -4.703 -0.532 4.091 1.00 0.00 H ATOM 1158 N LYS A 123 -5.073 0.809 8.044 1.00 27.53 N ATOM 1159 CA LYS A 123 -6.019 1.537 8.882 1.00 30.83 C ATOM 1160 C LYS A 123 -6.055 3.030 8.569 1.00 29.91 C ATOM 1161 O LYS A 123 -5.138 3.604 7.954 1.00 29.31 O ATOM 1162 CB LYS A 123 -5.731 1.328 10.379 1.00 33.03 C ATOM 1163 CG LYS A 123 -5.892 -0.108 10.823 1.00 34.91 C ATOM 1164 CD LYS A 123 -5.385 -0.281 12.242 1.00 34.60 C ATOM 1165 CE LYS A 123 -5.516 -1.731 12.666 1.00 37.93 C ATOM 1166 NZ LYS A 123 -6.760 -1.878 13.490 1.00 42.31 N ATOM 1167 HZ1 LYS A 123 -6.692 -1.268 14.329 1.00 0.00 H ATOM 1168 HZ2 LYS A 123 -7.585 -1.599 12.922 1.00 0.00 H ATOM 1169 HZ3 LYS A 123 -6.862 -2.869 13.788 1.00 0.00 H ATOM 1170 H LYS A 123 -4.284 0.314 8.506 1.00 0.00 H ATOM 1171 N GLY A 124 -7.159 3.642 8.951 1.00 28.51 N ATOM 1172 CA GLY A 124 -7.362 5.024 8.602 1.00 30.06 C ATOM 1173 C GLY A 124 -7.305 5.903 9.794 1.00 25.97 C ATOM 1174 O GLY A 124 -7.711 7.059 9.732 1.00 32.33 O ATOM 1175 H GLY A 124 -7.878 3.130 9.501 1.00 0.00 H ATOM 1176 N HIS A 125 -6.798 5.387 10.918 1.00 27.92 N ATOM 1177 CA HIS A 125 -6.822 6.229 12.097 1.00 27.89 C ATOM 1178 C HIS A 125 -5.673 7.189 12.007 1.00 26.48 C ATOM 1179 O HIS A 125 -4.796 6.997 11.127 1.00 27.95 O ATOM 1180 CB HIS A 125 -6.838 5.376 13.378 1.00 29.14 C ATOM 1181 CG HIS A 125 -5.509 4.747 13.702 1.00 27.53 C ATOM 1182 ND1 HIS A 125 -4.484 5.458 14.236 1.00 28.21 N ATOM 1183 CD2 HIS A 125 -5.064 3.449 13.570 1.00 28.43 C ATOM 1184 CE1 HIS A 125 -3.431 4.642 14.421 1.00 27.88 C ATOM 1185 NE2 HIS A 125 -3.793 3.408 14.027 1.00 25.57 N ATOM 1186 H HIS A 125 -6.404 4.425 10.945 1.00 0.00 H ATOM 1187 N PRO A 126 -5.663 8.240 12.852 1.00 26.08 N ATOM 1188 CA PRO A 126 -4.741 9.343 12.799 1.00 27.75 C ATOM 1189 C PRO A 126 -3.251 9.022 12.755 1.00 29.42 C ATOM 1190 O PRO A 126 -2.477 9.807 12.208 1.00 31.26 O ATOM 1191 CB PRO A 126 -5.088 10.114 14.071 1.00 29.47 C ATOM 1192 CG PRO A 126 -6.555 10.055 14.040 1.00 27.74 C ATOM 1193 CD PRO A 126 -6.797 8.589 13.743 1.00 27.97 C ATOM 1194 N LEU A 127 -2.865 7.912 13.362 1.00 28.48 N ATOM 1195 CA LEU A 127 -1.453 7.550 13.468 1.00 29.45 C ATOM 1196 C LEU A 127 -1.149 6.356 12.601 1.00 24.82 C ATOM 1197 O LEU A 127 -0.139 5.690 12.814 1.00 26.17 O ATOM 1198 CB LEU A 127 -1.085 7.235 14.936 1.00 31.64 C ATOM 1199 CG LEU A 127 -1.252 8.363 15.946 1.00 37.36 C ATOM 1200 CD1 LEU A 127 -0.776 7.884 17.314 1.00 42.37 C ATOM 1201 CD2 LEU A 127 -0.498 9.610 15.520 1.00 40.41 C ATOM 1202 H LEU A 127 -3.583 7.282 13.773 1.00 0.00 H ATOM 1203 N ALA A 128 -1.996 6.053 11.613 1.00 22.84 N ATOM 1204 CA ALA A 128 -1.837 4.820 10.903 1.00 19.82 C ATOM 1205 C ALA A 128 -0.771 4.921 9.790 1.00 22.57 C ATOM 1206 O ALA A 128 -0.461 3.916 9.186 1.00 22.80 O ATOM 1207 CB ALA A 128 -3.143 4.356 10.290 1.00 22.19 C ATOM 1208 H ALA A 128 -2.764 6.707 11.362 1.00 0.00 H ATOM 1209 N GLU A 129 -0.378 6.152 9.441 1.00 24.85 N ATOM 1210 CA GLU A 129 0.604 6.395 8.319 1.00 25.13 C ATOM 1211 C GLU A 129 1.442 7.595 8.738 1.00 24.42 C ATOM 1212 O GLU A 129 0.901 8.701 8.974 1.00 24.35 O ATOM 1213 CB GLU A 129 -0.119 6.702 6.992 1.00 26.21 C ATOM 1214 CG GLU A 129 -0.983 5.563 6.481 1.00 29.60 C ATOM 1215 CD GLU A 129 -1.830 5.986 5.294 1.00 37.27 C ATOM 1216 OE1 GLU A 129 -2.743 6.805 5.481 1.00 48.83 O ATOM 1217 OE2 GLU A 129 -1.588 5.510 4.183 1.00 41.70 O ATOM 1218 H GLU A 129 -0.761 6.968 9.959 1.00 0.00 H ATOM 1219 N LEU A 130 2.744 7.368 8.914 1.00 23.31 N ATOM 1220 CA LEU A 130 3.693 8.366 9.384 1.00 22.11 C ATOM 1221 C LEU A 130 5.007 8.098 8.662 1.00 20.55 C ATOM 1222 O LEU A 130 5.303 6.955 8.384 1.00 23.31 O ATOM 1223 CB LEU A 130 3.949 8.222 10.885 1.00 23.81 C ATOM 1224 CG LEU A 130 2.818 8.469 11.906 1.00 26.76 C ATOM 1225 CD1 LEU A 130 3.458 8.462 13.280 1.00 27.94 C ATOM 1226 CD2 LEU A 130 2.138 9.814 11.679 1.00 28.95 C ATOM 1227 H LEU A 130 3.105 6.416 8.702 1.00 0.00 H ATOM 1228 N SER A 131 5.762 9.133 8.371 1.00 19.24 N ATOM 1229 CA SER A 131 7.115 8.962 7.839 1.00 20.57 C ATOM 1230 C SER A 131 8.139 9.347 8.898 1.00 18.73 C ATOM 1231 O SER A 131 7.830 10.027 9.886 1.00 21.42 O ATOM 1232 CB SER A 131 7.305 9.746 6.526 1.00 24.70 C ATOM 1233 OG SER A 131 6.813 11.083 6.690 1.00 26.27 O ATOM 1234 HG SER A 131 5.851 11.053 6.920 1.00 0.00 H ATOM 1235 H SER A 131 5.391 10.093 8.522 1.00 0.00 H ATOM 1236 N ARG A 132 9.363 8.842 8.728 1.00 17.40 N ATOM 1237 CA ARG A 132 10.466 9.000 9.692 1.00 18.32 C ATOM 1238 C ARG A 132 11.757 9.096 8.911 1.00 19.19 C ATOM 1239 O ARG A 132 11.912 8.431 7.852 1.00 21.43 O ATOM 1240 CB ARG A 132 10.574 7.800 10.646 1.00 19.28 C ATOM 1241 CG ARG A 132 9.475 7.702 11.676 1.00 21.20 C ATOM 1242 CD ARG A 132 9.533 8.942 12.565 1.00 23.09 C ATOM 1243 NE ARG A 132 8.686 8.806 13.744 1.00 24.93 N ATOM 1244 CZ ARG A 132 7.478 9.344 13.853 1.00 25.26 C ATOM 1245 NH1 ARG A 132 6.948 10.005 12.822 1.00 25.94 N ATOM 1246 NH2 ARG A 132 6.762 9.177 14.980 1.00 27.14 N ATOM 1247 HE ARG A 132 9.050 8.255 14.547 1.00 0.00 H ATOM 1248 HH12 ARG A 132 6.001 10.427 12.906 1.00 0.00 H ATOM 1249 HH11 ARG A 132 7.482 10.098 11.934 1.00 0.00 H ATOM 1250 HH22 ARG A 132 5.815 9.600 15.062 1.00 0.00 H ATOM 1251 HH21 ARG A 132 7.155 8.625 15.769 1.00 0.00 H ATOM 1252 H ARG A 132 9.550 8.302 7.859 1.00 0.00 H ATOM 1253 N SER A 133 12.669 9.903 9.396 1.00 17.49 N ATOM 1254 CA SER A 133 14.034 9.959 8.834 1.00 18.40 C ATOM 1255 C SER A 133 15.022 9.833 9.944 1.00 18.77 C ATOM 1256 O SER A 133 14.788 10.405 11.010 1.00 19.54 O ATOM 1257 CB SER A 133 14.241 11.267 8.101 1.00 21.59 C ATOM 1258 OG SER A 133 15.594 11.391 7.706 1.00 29.66 O ATOM 1259 HG SER A 133 15.832 10.640 7.107 1.00 0.00 H ATOM 1260 H SER A 133 12.425 10.520 10.197 1.00 0.00 H ATOM 1261 N PHE A 134 16.108 9.098 9.725 1.00 17.11 N ATOM 1262 CA PHE A 134 17.185 8.916 10.701 1.00 17.84 C ATOM 1263 C PHE A 134 18.519 9.090 10.032 1.00 21.05 C ATOM 1264 O PHE A 134 18.693 8.759 8.864 1.00 21.42 O ATOM 1265 CB PHE A 134 17.079 7.530 11.422 1.00 17.69 C ATOM 1266 CG PHE A 134 15.768 7.329 12.118 1.00 18.43 C ATOM 1267 CD1 PHE A 134 15.475 7.977 13.358 1.00 18.46 C ATOM 1268 CD2 PHE A 134 14.763 6.531 11.527 1.00 17.39 C ATOM 1269 CE1 PHE A 134 14.238 7.831 13.948 1.00 19.03 C ATOM 1270 CE2 PHE A 134 13.534 6.368 12.131 1.00 19.54 C ATOM 1271 CZ PHE A 134 13.248 7.024 13.345 1.00 21.25 C ATOM 1272 H PHE A 134 16.198 8.623 8.804 1.00 0.00 H ATOM 1273 N THR A 135 19.468 9.654 10.772 1.00 20.79 N ATOM 1274 CA THR A 135 20.754 9.984 10.227 1.00 23.70 C ATOM 1275 C THR A 135 21.771 9.853 11.347 1.00 24.72 C ATOM 1276 O THR A 135 21.434 9.592 12.520 1.00 23.19 O ATOM 1277 CB THR A 135 20.816 11.440 9.720 1.00 25.53 C ATOM 1278 OG1 THR A 135 20.724 12.316 10.867 1.00 27.17 O ATOM 1279 CG2 THR A 135 19.710 11.756 8.728 1.00 26.65 C ATOM 1280 HG1 THR A 135 20.762 13.258 10.565 1.00 0.00 H ATOM 1281 H THR A 135 19.274 9.862 11.772 1.00 0.00 H ATOM 1282 N GLU A 136 23.023 10.017 10.953 1.00 27.07 N ATOM 1283 CA GLU A 136 24.111 10.155 11.911 1.00 37.87 C ATOM 1284 C GLU A 136 25.230 11.060 11.360 1.00 47.01 C ATOM 1285 O GLU A 136 25.320 11.367 10.146 1.00 48.32 O ATOM 1286 CB GLU A 136 24.643 8.788 12.285 1.00 38.29 C ATOM 1287 CG GLU A 136 25.479 8.084 11.231 1.00 36.23 C ATOM 1288 CD GLU A 136 25.632 6.626 11.611 1.00 35.31 C ATOM 1289 OE1 GLU A 136 24.621 5.937 11.570 1.00 26.00 O ATOM 1290 OE2 GLU A 136 26.733 6.161 12.001 1.00 40.28 O ATOM 1291 OXT GLU A 136 26.063 11.528 12.144 1.00 52.53 O ATOM 1292 H GLU A 136 23.235 10.048 9.935 1.00 0.00 H TER 1293 GLU A 136 ATOM 1294 N MET B 1 7.125 18.477 -6.536 1.00 19.79 N ATOM 1295 CA MET B 1 6.145 17.343 -6.437 1.00 18.41 C ATOM 1296 C MET B 1 6.823 16.001 -6.384 1.00 17.43 C ATOM 1297 O MET B 1 7.701 15.708 -7.146 1.00 19.24 O ATOM 1298 CB MET B 1 5.129 17.406 -7.590 1.00 18.99 C ATOM 1299 CG MET B 1 3.956 16.459 -7.477 1.00 21.85 C ATOM 1300 SD MET B 1 2.771 16.748 -8.811 1.00 23.15 S ATOM 1301 CE MET B 1 2.069 18.310 -8.286 1.00 22.14 C ATOM 1302 HN3 MET B 1 7.692 18.369 -7.401 1.00 0.00 H ATOM 1303 HN2 MET B 1 7.751 18.466 -5.706 1.00 0.00 H ATOM 1304 HN1 MET B 1 6.608 19.379 -6.569 1.00 0.00 H ATOM 1305 N ARG B 2 6.392 15.159 -5.437 1.00 16.68 N ATOM 1306 CA ARG B 2 6.964 13.825 -5.338 1.00 17.16 C ATOM 1307 C ARG B 2 5.822 12.826 -5.542 1.00 16.64 C ATOM 1308 O ARG B 2 4.765 12.902 -4.885 1.00 16.56 O ATOM 1309 CB ARG B 2 7.671 13.614 -3.987 1.00 18.64 C ATOM 1310 CG ARG B 2 8.256 12.225 -3.752 1.00 20.43 C ATOM 1311 CD ARG B 2 9.704 12.147 -4.211 1.00 22.95 C ATOM 1312 NE ARG B 2 10.203 10.779 -4.113 1.00 28.72 N ATOM 1313 CZ ARG B 2 11.476 10.439 -4.346 1.00 28.72 C ATOM 1314 NH1 ARG B 2 12.346 11.384 -4.661 1.00 28.68 N ATOM 1315 NH2 ARG B 2 11.883 9.179 -4.246 1.00 23.98 N ATOM 1316 HE ARG B 2 9.534 10.029 -3.848 1.00 0.00 H ATOM 1317 HH12 ARG B 2 13.339 11.136 -4.845 1.00 0.00 H ATOM 1318 HH11 ARG B 2 12.037 12.375 -4.725 1.00 0.00 H ATOM 1319 HH22 ARG B 2 12.877 8.937 -4.432 1.00 0.00 H ATOM 1320 HH21 ARG B 2 11.207 8.434 -3.982 1.00 0.00 H ATOM 1321 H ARG B 2 5.649 15.458 -4.773 1.00 0.00 H ATOM 1322 N LEU B 3 6.029 11.882 -6.453 1.00 14.32 N ATOM 1323 CA LEU B 3 4.975 10.877 -6.744 1.00 15.23 C ATOM 1324 C LEU B 3 5.474 9.448 -6.517 1.00 14.69 C ATOM 1325 O LEU B 3 6.682 9.161 -6.668 1.00 15.90 O ATOM 1326 CB LEU B 3 4.489 11.003 -8.194 1.00 17.75 C ATOM 1327 CG LEU B 3 4.010 12.355 -8.709 1.00 18.44 C ATOM 1328 CD1 LEU B 3 3.471 12.117 -10.124 1.00 21.47 C ATOM 1329 CD2 LEU B 3 2.906 12.909 -7.867 1.00 20.17 C ATOM 1330 H LEU B 3 6.934 11.846 -6.965 1.00 0.00 H ATOM 1331 N LEU B 4 4.556 8.563 -6.152 1.00 15.99 N ATOM 1332 CA LEU B 4 4.815 7.148 -6.146 1.00 18.18 C ATOM 1333 C LEU B 4 3.762 6.519 -7.050 1.00 19.14 C ATOM 1334 O LEU B 4 2.586 6.648 -6.780 1.00 18.85 O ATOM 1335 CB LEU B 4 4.701 6.607 -4.712 1.00 18.12 C ATOM 1336 CG LEU B 4 5.008 5.140 -4.512 1.00 20.76 C ATOM 1337 CD1 LEU B 4 6.489 4.787 -4.761 1.00 21.35 C ATOM 1338 CD2 LEU B 4 4.560 4.765 -3.085 1.00 19.95 C ATOM 1339 H LEU B 4 3.618 8.903 -5.860 1.00 0.00 H ATOM 1340 N TYR B 5 4.222 5.823 -8.093 1.00 18.45 N ATOM 1341 CA TYR B 5 3.364 5.085 -9.077 1.00 17.40 C ATOM 1342 C TYR B 5 3.235 3.624 -8.658 1.00 17.55 C ATOM 1343 O TYR B 5 4.243 2.901 -8.641 1.00 20.82 O ATOM 1344 CB TYR B 5 4.052 5.107 -10.435 1.00 17.95 C ATOM 1345 CG TYR B 5 4.121 6.449 -11.143 1.00 20.39 C ATOM 1346 CD1 TYR B 5 3.405 7.533 -10.729 1.00 19.11 C ATOM 1347 CD2 TYR B 5 4.932 6.604 -12.276 1.00 20.13 C ATOM 1348 CE1 TYR B 5 3.514 8.781 -11.388 1.00 20.31 C ATOM 1349 CE2 TYR B 5 4.999 7.805 -12.961 1.00 20.72 C ATOM 1350 CZ TYR B 5 4.299 8.897 -12.527 1.00 19.83 C ATOM 1351 OH TYR B 5 4.414 10.100 -13.191 1.00 19.96 O ATOM 1352 HH TYR B 5 5.358 10.398 -13.171 1.00 0.00 H ATOM 1353 H TYR B 5 5.252 5.790 -8.233 1.00 0.00 H ATOM 1354 N LEU B 6 2.032 3.201 -8.299 1.00 17.47 N ATOM 1355 CA LEU B 6 1.801 1.808 -7.930 1.00 18.90 C ATOM 1356 C LEU B 6 0.799 1.213 -8.908 1.00 19.17 C ATOM 1357 O LEU B 6 -0.373 1.583 -8.869 1.00 20.59 O ATOM 1358 CB LEU B 6 1.255 1.718 -6.512 1.00 20.45 C ATOM 1359 CG LEU B 6 2.183 2.281 -5.377 1.00 22.85 C ATOM 1360 CD1 LEU B 6 1.428 2.215 -4.060 1.00 23.87 C ATOM 1361 CD2 LEU B 6 3.476 1.531 -5.237 1.00 27.15 C ATOM 1362 H LEU B 6 1.239 3.873 -8.280 1.00 0.00 H ATOM 1363 N HIS B 7 1.260 0.236 -9.704 1.00 20.12 N ATOM 1364 CA HIS B 7 0.396 -0.479 -10.649 1.00 20.54 C ATOM 1365 C HIS B 7 -0.343 -1.537 -9.888 1.00 21.82 C ATOM 1366 O HIS B 7 0.254 -2.521 -9.428 1.00 22.68 O ATOM 1367 CB HIS B 7 1.238 -1.080 -11.746 1.00 23.14 C ATOM 1368 CG HIS B 7 0.401 -1.706 -12.851 1.00 23.23 C ATOM 1369 ND1 HIS B 7 0.933 -2.489 -13.807 1.00 25.69 N ATOM 1370 CD2 HIS B 7 -0.948 -1.634 -13.100 1.00 24.18 C ATOM 1371 CE1 HIS B 7 -0.050 -2.883 -14.647 1.00 25.08 C ATOM 1372 NE2 HIS B 7 -1.197 -2.346 -14.214 1.00 26.74 N ATOM 1373 H HIS B 7 2.266 -0.023 -9.649 1.00 0.00 H ATOM 1374 N ALA B 8 -1.630 -1.309 -9.703 1.00 21.33 N ATOM 1375 CA ALA B 8 -2.439 -2.082 -8.817 1.00 24.11 C ATOM 1376 C ALA B 8 -3.303 -3.056 -9.620 1.00 27.23 C ATOM 1377 O ALA B 8 -3.658 -2.790 -10.765 1.00 25.02 O ATOM 1378 CB ALA B 8 -3.305 -1.154 -7.995 1.00 23.47 C ATOM 1379 H ALA B 8 -2.075 -0.529 -10.228 1.00 0.00 H ATOM 1380 N ASP B 9 -3.621 -4.193 -9.012 1.00 28.27 N ATOM 1381 CA ASP B 9 -4.646 -5.076 -9.530 1.00 28.50 C ATOM 1382 C ASP B 9 -6.000 -4.629 -9.030 1.00 27.32 C ATOM 1383 O ASP B 9 -6.995 -4.883 -9.704 1.00 29.69 O ATOM 1384 CB ASP B 9 -4.406 -6.512 -9.048 1.00 31.56 C ATOM 1385 CG ASP B 9 -3.323 -7.225 -9.840 1.00 36.89 C ATOM 1386 OD1 ASP B 9 -3.328 -7.128 -11.086 1.00 38.98 O ATOM 1387 OD2 ASP B 9 -2.467 -7.889 -9.202 1.00 40.46 O ATOM 1388 H ASP B 9 -3.120 -4.457 -8.140 1.00 0.00 H ATOM 1389 N ARG B 10 -6.034 -3.974 -7.867 1.00 24.70 N ATOM 1390 CA ARG B 10 -7.219 -3.442 -7.247 1.00 21.94 C ATOM 1391 C ARG B 10 -6.782 -2.379 -6.236 1.00 23.98 C ATOM 1392 O ARG B 10 -5.640 -2.395 -5.713 1.00 25.82 O ATOM 1393 CB ARG B 10 -8.103 -4.497 -6.512 1.00 28.42 C ATOM 1394 CG ARG B 10 -7.360 -5.347 -5.480 1.00 27.43 C ATOM 1395 CD ARG B 10 -8.203 -6.212 -4.533 1.00 30.59 C ATOM 1396 NE ARG B 10 -7.353 -6.896 -3.530 1.00 32.87 N ATOM 1397 CZ ARG B 10 -6.857 -6.375 -2.381 1.00 34.67 C ATOM 1398 NH1 ARG B 10 -7.072 -5.151 -2.007 1.00 30.57 N ATOM 1399 NH2 ARG B 10 -6.112 -7.112 -1.570 1.00 37.88 N ATOM 1400 HE ARG B 10 -7.110 -7.887 -3.730 1.00 0.00 H ATOM 1401 HH12 ARG B 10 -6.667 -4.801 -1.115 1.00 0.00 H ATOM 1402 HH11 ARG B 10 -7.649 -4.520 -2.599 1.00 0.00 H ATOM 1403 HH22 ARG B 10 -5.737 -6.701 -0.691 1.00 0.00 H ATOM 1404 HH21 ARG B 10 -5.902 -8.101 -1.812 1.00 0.00 H ATOM 1405 H ARG B 10 -5.131 -3.837 -7.369 1.00 0.00 H ATOM 1406 N PHE B 11 -7.691 -1.462 -5.954 1.00 23.09 N ATOM 1407 CA PHE B 11 -7.486 -0.375 -5.006 1.00 23.36 C ATOM 1408 C PHE B 11 -8.801 0.108 -4.488 1.00 25.13 C ATOM 1409 O PHE B 11 -9.771 0.220 -5.217 1.00 25.58 O ATOM 1410 CB PHE B 11 -6.761 0.828 -5.677 1.00 21.99 C ATOM 1411 CG PHE B 11 -6.368 1.916 -4.720 1.00 21.03 C ATOM 1412 CD1 PHE B 11 -5.340 1.718 -3.771 1.00 22.67 C ATOM 1413 CD2 PHE B 11 -7.019 3.137 -4.733 1.00 24.66 C ATOM 1414 CE1 PHE B 11 -4.993 2.748 -2.879 1.00 23.25 C ATOM 1415 CE2 PHE B 11 -6.677 4.159 -3.853 1.00 23.96 C ATOM 1416 CZ PHE B 11 -5.643 3.962 -2.929 1.00 25.10 C ATOM 1417 H PHE B 11 -8.609 -1.520 -6.439 1.00 0.00 H ATOM 1418 N GLU B 12 -8.801 0.492 -3.234 1.00 23.64 N ATOM 1419 CA GLU B 12 -9.946 1.064 -2.608 1.00 26.86 C ATOM 1420 C GLU B 12 -9.485 1.913 -1.464 1.00 22.85 C ATOM 1421 O GLU B 12 -8.440 1.668 -0.846 1.00 23.55 O ATOM 1422 CB GLU B 12 -10.984 0.016 -2.121 1.00 30.53 C ATOM 1423 CG GLU B 12 -10.518 -0.865 -0.972 1.00 34.57 C ATOM 1424 CD GLU B 12 -11.662 -1.644 -0.323 1.00 37.92 C ATOM 1425 OE1 GLU B 12 -12.366 -1.078 0.553 1.00 45.87 O ATOM 1426 OE2 GLU B 12 -11.835 -2.812 -0.676 1.00 35.97 O ATOM 1427 H GLU B 12 -7.932 0.374 -2.675 1.00 0.00 H ATOM 1428 N TYR B 13 -10.268 2.938 -1.185 1.00 23.80 N ATOM 1429 CA TYR B 13 -10.058 3.802 -0.024 1.00 21.46 C ATOM 1430 C TYR B 13 -11.381 4.244 0.565 1.00 23.47 C ATOM 1431 O TYR B 13 -12.408 4.162 -0.095 1.00 24.84 O ATOM 1432 CB TYR B 13 -9.260 5.061 -0.418 1.00 20.39 C ATOM 1433 CG TYR B 13 -10.076 6.011 -1.296 1.00 20.10 C ATOM 1434 CD1 TYR B 13 -9.999 5.941 -2.706 1.00 22.38 C ATOM 1435 CD2 TYR B 13 -10.877 6.980 -0.718 1.00 22.03 C ATOM 1436 CE1 TYR B 13 -10.722 6.811 -3.496 1.00 22.64 C ATOM 1437 CE2 TYR B 13 -11.616 7.873 -1.505 1.00 23.24 C ATOM 1438 CZ TYR B 13 -11.537 7.779 -2.883 1.00 22.16 C ATOM 1439 OH TYR B 13 -12.284 8.674 -3.629 1.00 22.83 O ATOM 1440 HH TYR B 13 -12.139 8.500 -4.593 1.00 0.00 H ATOM 1441 H TYR B 13 -11.068 3.140 -1.818 1.00 0.00 H ATOM 1442 N LYS B 14 -11.359 4.710 1.813 1.00 24.73 N ATOM 1443 CA LYS B 14 -12.510 5.292 2.496 1.00 25.52 C ATOM 1444 C LYS B 14 -11.935 6.330 3.371 1.00 23.60 C ATOM 1445 O LYS B 14 -10.914 6.049 4.050 1.00 28.23 O ATOM 1446 CB LYS B 14 -13.197 4.297 3.432 1.00 25.47 C ATOM 1447 CG LYS B 14 -13.589 2.966 2.816 1.00 31.24 C ATOM 1448 CD LYS B 14 -14.597 2.225 3.697 1.00 34.63 C ATOM 1449 CE LYS B 14 -15.478 1.286 2.878 1.00 38.02 C ATOM 1450 NZ LYS B 14 -14.838 -0.050 2.805 1.00 41.59 N ATOM 1451 HZ1 LYS B 14 -13.906 0.038 2.351 1.00 0.00 H ATOM 1452 HZ2 LYS B 14 -14.722 -0.431 3.766 1.00 0.00 H ATOM 1453 HZ3 LYS B 14 -15.438 -0.690 2.247 1.00 0.00 H ATOM 1454 H LYS B 14 -10.461 4.655 2.335 1.00 0.00 H ATOM 1455 N THR B 15 -12.560 7.504 3.347 1.00 24.06 N ATOM 1456 CA THR B 15 -12.240 8.619 4.252 1.00 21.54 C ATOM 1457 C THR B 15 -12.732 8.144 5.599 1.00 25.36 C ATOM 1458 O THR B 15 -13.692 7.336 5.691 1.00 25.16 O ATOM 1459 CB THR B 15 -12.885 9.973 3.895 1.00 25.22 C ATOM 1460 OG1 THR B 15 -14.303 9.837 3.744 1.00 25.00 O ATOM 1461 CG2 THR B 15 -12.325 10.527 2.578 1.00 21.48 C ATOM 1462 HG1 THR B 15 -14.694 9.510 4.593 1.00 0.00 H ATOM 1463 H THR B 15 -13.318 7.642 2.649 1.00 0.00 H ATOM 1464 N VAL B 16 -12.078 8.639 6.641 1.00 26.59 N ATOM 1465 CA VAL B 16 -12.357 8.209 8.023 1.00 27.57 C ATOM 1466 C VAL B 16 -12.475 9.560 8.739 1.00 29.21 C ATOM 1467 O VAL B 16 -13.376 10.345 8.384 1.00 29.38 O ATOM 1468 CB VAL B 16 -11.304 7.226 8.607 1.00 25.23 C ATOM 1469 CG1 VAL B 16 -11.707 6.823 10.015 1.00 29.53 C ATOM 1470 CG2 VAL B 16 -11.239 5.931 7.786 1.00 25.85 C ATOM 1471 H VAL B 16 -11.342 9.356 6.477 1.00 0.00 H ATOM 1472 N LYS B 17 -11.605 9.898 9.685 1.00 29.74 N ATOM 1473 CA LYS B 17 -11.708 11.225 10.293 1.00 28.09 C ATOM 1474 C LYS B 17 -11.134 12.345 9.399 1.00 32.63 C ATOM 1475 O LYS B 17 -10.217 12.086 8.608 1.00 27.99 O ATOM 1476 CB LYS B 17 -11.031 11.260 11.671 1.00 29.87 C ATOM 1477 CG LYS B 17 -11.543 10.199 12.696 1.00 31.31 C ATOM 1478 CD LYS B 17 -10.442 9.805 13.720 1.00 33.41 C ATOM 1479 CE LYS B 17 -10.402 8.323 14.240 1.00 31.93 C ATOM 1480 NZ LYS B 17 -10.290 7.054 13.420 1.00 22.82 N ATOM 1481 HZ1 LYS B 17 -11.099 6.990 12.770 1.00 0.00 H ATOM 1482 HZ2 LYS B 17 -9.405 7.073 12.874 1.00 0.00 H ATOM 1483 HZ3 LYS B 17 -10.289 6.231 14.056 1.00 0.00 H ATOM 1484 H LYS B 17 -10.865 9.232 9.987 1.00 0.00 H ATOM 1485 N PRO B 18 -11.654 13.594 9.538 1.00 33.74 N ATOM 1486 CA PRO B 18 -11.064 14.769 8.893 1.00 35.57 C ATOM 1487 C PRO B 18 -9.646 15.006 9.433 1.00 37.35 C ATOM 1488 O PRO B 18 -9.433 14.974 10.665 1.00 34.54 O ATOM 1489 CB PRO B 18 -12.005 15.907 9.325 1.00 37.44 C ATOM 1490 CG PRO B 18 -12.417 15.482 10.704 1.00 33.79 C ATOM 1491 CD PRO B 18 -12.706 14.005 10.499 1.00 35.60 C ATOM 1492 N ALA B 19 -8.695 15.189 8.504 1.00 32.35 N ATOM 1493 CA ALA B 19 -7.294 15.457 8.837 1.00 32.35 C ATOM 1494 C ALA B 19 -7.109 16.919 9.069 1.00 33.65 C ATOM 1495 O ALA B 19 -6.337 17.310 9.931 1.00 39.61 O ATOM 1496 CB ALA B 19 -6.334 14.972 7.732 1.00 27.04 C ATOM 1497 H ALA B 19 -8.965 15.138 7.501 1.00 0.00 H ATOM 1498 N LEU B 20 -7.797 17.733 8.271 1.00 38.96 N ATOM 1499 CA LEU B 20 -7.734 19.203 8.369 1.00 38.27 C ATOM 1500 C LEU B 20 -8.988 19.680 9.095 1.00 37.33 C ATOM 1501 O LEU B 20 -10.022 18.981 9.082 1.00 36.56 O ATOM 1502 CB LEU B 20 -7.703 19.868 6.983 1.00 35.85 C ATOM 1503 CG LEU B 20 -6.561 19.682 5.971 1.00 35.44 C ATOM 1504 CD1 LEU B 20 -6.920 20.345 4.639 1.00 34.54 C ATOM 1505 CD2 LEU B 20 -5.237 20.212 6.514 1.00 31.77 C ATOM 1506 H LEU B 20 -8.409 17.312 7.543 1.00 0.00 H ATOM 1507 N LYS B 21 -8.903 20.873 9.679 1.00 37.79 N ATOM 1508 CA LYS B 21 -10.064 21.488 10.320 1.00 42.63 C ATOM 1509 C LYS B 21 -11.303 21.548 9.411 1.00 45.46 C ATOM 1510 O LYS B 21 -12.370 21.103 9.823 1.00 45.42 O ATOM 1511 CB LYS B 21 -9.729 22.871 10.860 1.00 46.92 C ATOM 1512 CG LYS B 21 -10.642 23.253 12.017 1.00 54.54 C ATOM 1513 CD LYS B 21 -10.509 24.718 12.377 1.00 61.59 C ATOM 1514 CE LYS B 21 -11.584 25.128 13.373 1.00 64.24 C ATOM 1515 NZ LYS B 21 -11.300 26.496 13.903 1.00 65.74 N ATOM 1516 HZ1 LYS B 21 -10.375 26.497 14.379 1.00 0.00 H ATOM 1517 HZ2 LYS B 21 -11.287 27.176 13.116 1.00 0.00 H ATOM 1518 HZ3 LYS B 21 -12.041 26.764 14.582 1.00 0.00 H ATOM 1519 H LYS B 21 -7.993 21.377 9.679 1.00 0.00 H ATOM 1520 N ASN B 22 -11.163 22.074 8.188 1.00 45.42 N ATOM 1521 CA ASN B 22 -12.272 22.060 7.212 1.00 44.70 C ATOM 1522 C ASN B 22 -11.847 21.443 5.852 1.00 35.89 C ATOM 1523 O ASN B 22 -11.500 22.185 4.946 1.00 39.94 O ATOM 1524 CB ASN B 22 -12.834 23.478 6.970 1.00 49.68 C ATOM 1525 CG ASN B 22 -12.648 24.402 8.169 1.00 57.91 C ATOM 1526 OD1 ASN B 22 -13.437 24.364 9.122 1.00 59.79 O ATOM 1527 ND2 ASN B 22 -11.594 25.239 8.132 1.00 59.99 N ATOM 1528 HD22 ASN B 22 -10.957 25.237 7.310 1.00 0.00 H ATOM 1529 HD21 ASN B 22 -11.417 25.888 8.925 1.00 0.00 H ATOM 1530 H ASN B 22 -10.254 22.502 7.919 1.00 0.00 H ATOM 1531 N PRO B 23 -11.898 20.098 5.708 1.00 33.09 N ATOM 1532 CA PRO B 23 -11.439 19.462 4.455 1.00 28.37 C ATOM 1533 C PRO B 23 -12.164 20.083 3.253 1.00 28.30 C ATOM 1534 O PRO B 23 -13.403 20.184 3.282 1.00 30.48 O ATOM 1535 CB PRO B 23 -11.878 17.989 4.615 1.00 28.38 C ATOM 1536 CG PRO B 23 -11.950 17.783 6.104 1.00 30.43 C ATOM 1537 CD PRO B 23 -12.457 19.094 6.642 1.00 32.82 C ATOM 1538 N PRO B 24 -11.396 20.501 2.208 1.00 28.25 N ATOM 1539 CA PRO B 24 -11.981 21.161 1.070 1.00 28.79 C ATOM 1540 C PRO B 24 -12.808 20.238 0.212 1.00 29.75 C ATOM 1541 O PRO B 24 -13.538 20.740 -0.621 1.00 29.79 O ATOM 1542 CB PRO B 24 -10.768 21.648 0.276 1.00 28.92 C ATOM 1543 CG PRO B 24 -9.683 20.685 0.633 1.00 27.61 C ATOM 1544 CD PRO B 24 -9.927 20.475 2.114 1.00 26.38 C ATOM 1545 N ASP B 25 -12.683 18.922 0.388 1.00 29.78 N ATOM 1546 CA ASP B 25 -13.437 17.958 -0.393 1.00 29.12 C ATOM 1547 C ASP B 25 -14.428 17.213 0.522 1.00 30.73 C ATOM 1548 O ASP B 25 -14.134 16.994 1.689 1.00 30.45 O ATOM 1549 CB ASP B 25 -12.475 16.953 -1.051 1.00 29.74 C ATOM 1550 CG ASP B 25 -11.615 17.571 -2.168 1.00 28.18 C ATOM 1551 OD1 ASP B 25 -12.089 18.451 -2.919 1.00 26.46 O ATOM 1552 OD2 ASP B 25 -10.438 17.163 -2.314 1.00 30.97 O ATOM 1553 H ASP B 25 -12.021 18.574 1.111 1.00 0.00 H ATOM 1554 N PRO B 26 -15.604 16.805 -0.002 1.00 30.97 N ATOM 1555 CA PRO B 26 -16.496 15.937 0.808 1.00 29.04 C ATOM 1556 C PRO B 26 -15.916 14.522 1.091 1.00 27.34 C ATOM 1557 O PRO B 26 -15.045 14.062 0.337 1.00 27.22 O ATOM 1558 CB PRO B 26 -17.736 15.755 -0.089 1.00 29.91 C ATOM 1559 CG PRO B 26 -17.290 16.130 -1.490 1.00 32.87 C ATOM 1560 CD PRO B 26 -16.178 17.127 -1.332 1.00 30.35 C ATOM 1561 N PRO B 27 -16.424 13.824 2.142 1.00 25.19 N ATOM 1562 CA PRO B 27 -16.006 12.459 2.442 1.00 25.00 C ATOM 1563 C PRO B 27 -16.543 11.448 1.423 1.00 26.72 C ATOM 1564 O PRO B 27 -17.459 11.773 0.605 1.00 29.41 O ATOM 1565 CB PRO B 27 -16.639 12.198 3.798 1.00 23.76 C ATOM 1566 CG PRO B 27 -17.866 13.064 3.766 1.00 26.05 C ATOM 1567 CD PRO B 27 -17.396 14.329 3.136 1.00 25.04 C ATOM 1568 N GLY B 28 -16.026 10.228 1.466 1.00 25.98 N ATOM 1569 CA GLY B 28 -16.442 9.241 0.463 1.00 24.54 C ATOM 1570 C GLY B 28 -15.577 8.025 0.395 1.00 24.50 C ATOM 1571 O GLY B 28 -14.744 7.772 1.255 1.00 25.51 O ATOM 1572 H GLY B 28 -15.335 9.974 2.201 1.00 0.00 H ATOM 1573 N GLU B 29 -15.792 7.229 -0.641 1.00 27.58 N ATOM 1574 CA GLU B 29 -15.104 5.971 -0.769 1.00 26.87 C ATOM 1575 C GLU B 29 -15.257 5.502 -2.204 1.00 26.05 C ATOM 1576 O GLU B 29 -16.238 5.888 -2.895 1.00 25.56 O ATOM 1577 CB GLU B 29 -15.711 4.937 0.201 1.00 31.00 C ATOM 1578 CG GLU B 29 -17.068 4.372 -0.206 1.00 36.17 C ATOM 1579 CD GLU B 29 -17.547 3.239 0.706 1.00 41.74 C ATOM 1580 OE1 GLU B 29 -17.597 3.459 1.955 1.00 39.13 O ATOM 1581 OE2 GLU B 29 -17.894 2.139 0.165 1.00 40.94 O ATOM 1582 H GLU B 29 -16.470 7.518 -1.375 1.00 0.00 H ATOM 1583 N ALA B 30 -14.324 4.667 -2.640 1.00 23.40 N ATOM 1584 CA ALA B 30 -14.315 4.195 -3.990 1.00 21.35 C ATOM 1585 C ALA B 30 -13.448 2.973 -4.081 1.00 22.09 C ATOM 1586 O ALA B 30 -12.538 2.762 -3.252 1.00 24.88 O ATOM 1587 CB ALA B 30 -13.811 5.303 -4.935 1.00 22.88 C ATOM 1588 H ALA B 30 -13.582 4.348 -1.985 1.00 0.00 H ATOM 1589 N SER B 31 -13.685 2.149 -5.091 1.00 23.14 N ATOM 1590 CA SER B 31 -12.838 0.998 -5.313 1.00 23.10 C ATOM 1591 C SER B 31 -12.697 0.785 -6.784 1.00 22.45 C ATOM 1592 O SER B 31 -13.590 1.201 -7.571 1.00 22.48 O ATOM 1593 CB SER B 31 -13.428 -0.237 -4.609 1.00 27.91 C ATOM 1594 OG SER B 31 -14.465 -0.814 -5.399 1.00 35.83 O ATOM 1595 HG SER B 31 -14.832 -1.606 -4.932 1.00 0.00 H ATOM 1596 H SER B 31 -14.486 2.331 -5.729 1.00 0.00 H ATOM 1597 N PHE B 32 -11.618 0.126 -7.176 1.00 22.19 N ATOM 1598 CA PHE B 32 -11.240 0.007 -8.584 1.00 20.90 C ATOM 1599 C PHE B 32 -10.605 -1.318 -8.839 1.00 24.00 C ATOM 1600 O PHE B 32 -10.055 -1.984 -7.883 1.00 24.56 O ATOM 1601 CB PHE B 32 -10.251 1.147 -8.948 1.00 22.46 C ATOM 1602 CG PHE B 32 -10.700 2.498 -8.476 1.00 21.59 C ATOM 1603 CD1 PHE B 32 -10.498 2.897 -7.157 1.00 22.04 C ATOM 1604 CD2 PHE B 32 -11.398 3.392 -9.350 1.00 21.72 C ATOM 1605 CE1 PHE B 32 -10.941 4.122 -6.676 1.00 21.91 C ATOM 1606 CE2 PHE B 32 -11.861 4.612 -8.858 1.00 21.56 C ATOM 1607 CZ PHE B 32 -11.620 5.011 -7.546 1.00 24.10 C ATOM 1608 H PHE B 32 -11.017 -0.324 -6.456 1.00 0.00 H ATOM 1609 N GLY B 33 -10.577 -1.657 -10.128 1.00 24.28 N ATOM 1610 CA GLY B 33 -9.773 -2.735 -10.647 1.00 27.04 C ATOM 1611 C GLY B 33 -8.401 -2.273 -11.003 1.00 24.83 C ATOM 1612 O GLY B 33 -7.825 -1.417 -10.306 1.00 27.71 O ATOM 1613 H GLY B 33 -11.165 -1.116 -10.793 1.00 0.00 H ATOM 1614 N GLU B 34 -7.874 -2.798 -12.099 1.00 25.29 N ATOM 1615 CA GLU B 34 -6.513 -2.516 -12.498 1.00 28.23 C ATOM 1616 C GLU B 34 -6.346 -1.019 -12.687 1.00 28.42 C ATOM 1617 O GLU B 34 -7.165 -0.402 -13.338 1.00 26.99 O ATOM 1618 CB GLU B 34 -6.131 -3.260 -13.790 1.00 30.13 C ATOM 1619 CG GLU B 34 -4.724 -2.896 -14.253 1.00 30.83 C ATOM 1620 CD GLU B 34 -4.167 -3.785 -15.353 1.00 35.62 C ATOM 1621 OE1 GLU B 34 -4.686 -4.910 -15.513 1.00 46.00 O ATOM 1622 OE2 GLU B 34 -3.205 -3.380 -16.049 1.00 35.26 O ATOM 1623 H GLU B 34 -8.454 -3.429 -12.688 1.00 0.00 H ATOM 1624 N ALA B 35 -5.322 -0.414 -12.093 1.00 26.41 N ATOM 1625 CA ALA B 35 -5.192 1.059 -12.176 1.00 21.95 C ATOM 1626 C ALA B 35 -3.775 1.390 -11.832 1.00 23.65 C ATOM 1627 O ALA B 35 -3.104 0.595 -11.170 1.00 22.92 O ATOM 1628 CB ALA B 35 -6.111 1.732 -11.179 1.00 22.54 C ATOM 1629 H ALA B 35 -4.616 -0.972 -11.573 1.00 0.00 H ATOM 1630 N LEU B 36 -3.331 2.544 -12.291 1.00 20.30 N ATOM 1631 CA LEU B 36 -2.139 3.168 -11.739 1.00 20.39 C ATOM 1632 C LEU B 36 -2.554 4.054 -10.558 1.00 20.02 C ATOM 1633 O LEU B 36 -3.330 4.976 -10.712 1.00 18.80 O ATOM 1634 CB LEU B 36 -1.453 3.967 -12.799 1.00 20.86 C ATOM 1635 CG LEU B 36 -0.235 4.724 -12.274 1.00 21.27 C ATOM 1636 CD1 LEU B 36 0.810 3.660 -11.975 1.00 22.37 C ATOM 1637 CD2 LEU B 36 0.233 5.670 -13.357 1.00 19.95 C ATOM 1638 H LEU B 36 -3.843 3.017 -13.063 1.00 0.00 H ATOM 1639 N VAL B 37 -2.094 3.719 -9.348 1.00 17.49 N ATOM 1640 CA VAL B 37 -2.429 4.480 -8.165 1.00 17.92 C ATOM 1641 C VAL B 37 -1.220 5.439 -7.981 1.00 18.36 C ATOM 1642 O VAL B 37 -0.065 4.991 -7.885 1.00 19.52 O ATOM 1643 CB VAL B 37 -2.624 3.574 -6.922 1.00 19.47 C ATOM 1644 CG1 VAL B 37 -2.995 4.405 -5.701 1.00 20.84 C ATOM 1645 CG2 VAL B 37 -3.735 2.558 -7.161 1.00 19.99 C ATOM 1646 H VAL B 37 -1.477 2.887 -9.255 1.00 0.00 H ATOM 1647 N VAL B 38 -1.482 6.749 -7.976 1.00 15.93 N ATOM 1648 CA VAL B 38 -0.385 7.777 -7.924 1.00 14.33 C ATOM 1649 C VAL B 38 -0.483 8.477 -6.589 1.00 13.29 C ATOM 1650 O VAL B 38 -1.320 9.368 -6.373 1.00 14.57 O ATOM 1651 CB VAL B 38 -0.521 8.841 -9.049 1.00 14.77 C ATOM 1652 CG1 VAL B 38 0.677 9.792 -9.038 1.00 14.26 C ATOM 1653 CG2 VAL B 38 -0.572 8.134 -10.403 1.00 14.76 C ATOM 1654 H VAL B 38 -2.472 7.067 -8.009 1.00 0.00 H ATOM 1655 N PHE B 39 0.343 8.039 -5.633 1.00 14.82 N ATOM 1656 CA PHE B 39 0.429 8.749 -4.365 1.00 15.47 C ATOM 1657 C PHE B 39 1.151 10.085 -4.596 1.00 15.29 C ATOM 1658 O PHE B 39 2.245 10.079 -5.161 1.00 16.75 O ATOM 1659 CB PHE B 39 1.222 7.868 -3.350 1.00 16.77 C ATOM 1660 CG PHE B 39 0.392 6.768 -2.728 1.00 20.47 C ATOM 1661 CD1 PHE B 39 0.327 6.624 -1.364 1.00 24.84 C ATOM 1662 CD2 PHE B 39 -0.299 5.875 -3.506 1.00 23.49 C ATOM 1663 CE1 PHE B 39 -0.419 5.593 -0.776 1.00 25.24 C ATOM 1664 CE2 PHE B 39 -1.061 4.847 -2.926 1.00 26.41 C ATOM 1665 CZ PHE B 39 -1.134 4.713 -1.568 1.00 25.12 C ATOM 1666 H PHE B 39 0.924 7.192 -5.795 1.00 0.00 H ATOM 1667 N THR B 40 0.513 11.224 -4.222 1.00 13.33 N ATOM 1668 CA THR B 40 0.972 12.522 -4.683 1.00 14.74 C ATOM 1669 C THR B 40 1.249 13.447 -3.553 1.00 15.28 C ATOM 1670 O THR B 40 0.304 13.762 -2.811 1.00 16.40 O ATOM 1671 CB THR B 40 -0.132 13.172 -5.520 1.00 15.94 C ATOM 1672 OG1 THR B 40 -0.430 12.257 -6.587 1.00 18.96 O ATOM 1673 CG2 THR B 40 0.295 14.557 -6.103 1.00 16.50 C ATOM 1674 HG1 THR B 40 -0.736 11.396 -6.206 1.00 0.00 H ATOM 1675 H THR B 40 -0.316 11.166 -3.597 1.00 0.00 H ATOM 1676 N THR B 41 2.488 13.873 -3.440 1.00 15.82 N ATOM 1677 CA THR B 41 2.896 14.830 -2.392 1.00 15.07 C ATOM 1678 C THR B 41 3.258 16.160 -3.081 1.00 14.61 C ATOM 1679 O THR B 41 4.254 16.238 -3.784 1.00 16.62 O ATOM 1680 CB THR B 41 4.096 14.362 -1.517 1.00 16.74 C ATOM 1681 OG1 THR B 41 3.734 13.186 -0.789 1.00 16.30 O ATOM 1682 CG2 THR B 41 4.458 15.409 -0.462 1.00 18.45 C ATOM 1683 HG1 THR B 41 2.960 13.386 -0.205 1.00 0.00 H ATOM 1684 H THR B 41 3.203 13.525 -4.110 1.00 0.00 H ATOM 1685 N VAL B 42 2.489 17.217 -2.787 1.00 14.90 N ATOM 1686 CA VAL B 42 2.695 18.542 -3.395 1.00 13.89 C ATOM 1687 C VAL B 42 3.756 19.294 -2.598 1.00 16.91 C ATOM 1688 O VAL B 42 3.688 19.317 -1.381 1.00 15.99 O ATOM 1689 CB VAL B 42 1.405 19.403 -3.472 1.00 15.12 C ATOM 1690 CG1 VAL B 42 1.744 20.716 -4.235 1.00 16.12 C ATOM 1691 CG2 VAL B 42 0.337 18.576 -4.201 1.00 14.03 C ATOM 1692 H VAL B 42 1.716 17.097 -2.102 1.00 0.00 H ATOM 1693 N GLU B 43 4.770 19.801 -3.280 1.00 15.55 N ATOM 1694 CA GLU B 43 5.911 20.416 -2.606 1.00 17.32 C ATOM 1695 C GLU B 43 5.905 21.914 -2.766 1.00 20.03 C ATOM 1696 O GLU B 43 5.269 22.436 -3.683 1.00 18.48 O ATOM 1697 CB GLU B 43 7.233 19.797 -3.123 1.00 18.09 C ATOM 1698 CG GLU B 43 7.301 18.304 -2.837 1.00 19.22 C ATOM 1699 CD GLU B 43 8.585 17.680 -3.304 1.00 21.74 C ATOM 1700 OE1 GLU B 43 8.969 17.963 -4.463 1.00 21.79 O ATOM 1701 OE2 GLU B 43 9.186 16.878 -2.538 1.00 21.61 O ATOM 1702 H GLU B 43 4.755 19.761 -4.319 1.00 0.00 H ATOM 1703 N ASP B 44 6.583 22.613 -1.859 1.00 21.04 N ATOM 1704 CA ASP B 44 6.641 24.073 -1.932 1.00 25.20 C ATOM 1705 C ASP B 44 6.902 24.669 -3.321 1.00 26.29 C ATOM 1706 O ASP B 44 6.183 25.603 -3.765 1.00 26.74 O ATOM 1707 CB ASP B 44 7.636 24.669 -0.943 1.00 32.06 C ATOM 1708 CG ASP B 44 7.617 26.211 -0.980 1.00 38.69 C ATOM 1709 OD1 ASP B 44 6.703 26.784 -0.346 1.00 43.35 O ATOM 1710 OD2 ASP B 44 8.477 26.846 -1.660 1.00 39.43 O ATOM 1711 H ASP B 44 7.077 22.116 -1.090 1.00 0.00 H ATOM 1712 N GLY B 45 7.902 24.173 -4.022 1.00 22.90 N ATOM 1713 CA GLY B 45 8.178 24.780 -5.375 1.00 26.74 C ATOM 1714 C GLY B 45 7.130 24.610 -6.510 1.00 25.92 C ATOM 1715 O GLY B 45 7.332 25.145 -7.616 1.00 27.85 O ATOM 1716 H GLY B 45 8.480 23.390 -3.655 1.00 0.00 H ATOM 1717 N ASP B 46 6.027 23.902 -6.264 1.00 23.19 N ATOM 1718 CA ASP B 46 5.213 23.377 -7.394 1.00 19.88 C ATOM 1719 C ASP B 46 4.357 24.465 -7.952 1.00 19.46 C ATOM 1720 O ASP B 46 3.664 25.162 -7.222 1.00 18.94 O ATOM 1721 CB ASP B 46 4.290 22.211 -6.954 1.00 18.82 C ATOM 1722 CG ASP B 46 5.072 20.972 -6.519 1.00 18.84 C ATOM 1723 OD1 ASP B 46 6.323 20.917 -6.645 1.00 21.19 O ATOM 1724 OD2 ASP B 46 4.436 20.053 -6.009 1.00 19.48 O ATOM 1725 H ASP B 46 5.736 23.717 -5.283 1.00 0.00 H ATOM 1726 N GLY B 47 4.344 24.555 -9.276 1.00 20.52 N ATOM 1727 CA GLY B 47 3.482 25.530 -9.939 1.00 19.85 C ATOM 1728 C GLY B 47 2.937 24.888 -11.187 1.00 21.81 C ATOM 1729 O GLY B 47 2.905 23.650 -11.336 1.00 19.07 O ATOM 1730 H GLY B 47 4.950 23.929 -9.844 1.00 0.00 H ATOM 1731 N PRO B 48 2.564 25.711 -12.153 1.00 23.75 N ATOM 1732 CA PRO B 48 1.944 25.172 -13.330 1.00 23.46 C ATOM 1733 C PRO B 48 2.880 24.308 -14.197 1.00 22.31 C ATOM 1734 O PRO B 48 2.407 23.386 -14.845 1.00 24.94 O ATOM 1735 CB PRO B 48 1.590 26.445 -14.125 1.00 24.96 C ATOM 1736 CG PRO B 48 1.564 27.540 -13.112 1.00 29.34 C ATOM 1737 CD PRO B 48 2.709 27.170 -12.208 1.00 26.26 C ATOM 1738 N GLN B 49 4.166 24.651 -14.303 1.00 22.80 N ATOM 1739 CA GLN B 49 5.084 23.820 -15.091 1.00 25.03 C ATOM 1740 C GLN B 49 5.190 22.420 -14.480 1.00 21.87 C ATOM 1741 O GLN B 49 5.191 21.425 -15.212 1.00 21.25 O ATOM 1742 CB GLN B 49 6.493 24.439 -15.258 1.00 32.98 C ATOM 1743 CG GLN B 49 6.578 25.627 -16.217 1.00 40.52 C ATOM 1744 CD GLN B 49 5.656 25.470 -17.417 1.00 47.92 C ATOM 1745 OE1 GLN B 49 5.983 24.773 -18.374 1.00 53.49 O ATOM 1746 NE2 GLN B 49 4.494 26.128 -17.373 1.00 52.48 N ATOM 1747 HE22 GLN B 49 4.256 26.708 -16.543 1.00 0.00 H ATOM 1748 HE21 GLN B 49 3.828 26.060 -18.169 1.00 0.00 H ATOM 1749 H GLN B 49 4.517 25.507 -13.827 1.00 0.00 H ATOM 1750 N THR B 50 5.275 22.372 -13.149 1.00 20.48 N ATOM 1751 CA THR B 50 5.395 21.113 -12.394 1.00 19.57 C ATOM 1752 C THR B 50 4.186 20.230 -12.722 1.00 18.33 C ATOM 1753 O THR B 50 4.310 19.041 -13.024 1.00 16.76 O ATOM 1754 CB THR B 50 5.498 21.442 -10.866 1.00 19.54 C ATOM 1755 OG1 THR B 50 6.721 22.212 -10.639 1.00 22.02 O ATOM 1756 CG2 THR B 50 5.572 20.190 -10.050 1.00 19.47 C ATOM 1757 HG1 THR B 50 6.684 23.050 -11.164 1.00 0.00 H ATOM 1758 H THR B 50 5.256 23.267 -12.619 1.00 0.00 H ATOM 1759 N VAL B 51 3.008 20.820 -12.653 1.00 18.52 N ATOM 1760 CA VAL B 51 1.805 20.085 -12.913 1.00 18.38 C ATOM 1761 C VAL B 51 1.775 19.484 -14.326 1.00 18.05 C ATOM 1762 O VAL B 51 1.422 18.316 -14.520 1.00 18.32 O ATOM 1763 CB VAL B 51 0.626 21.009 -12.696 1.00 19.80 C ATOM 1764 CG1 VAL B 51 -0.626 20.479 -13.391 1.00 22.95 C ATOM 1765 CG2 VAL B 51 0.439 21.216 -11.189 1.00 21.84 C ATOM 1766 H VAL B 51 2.952 21.829 -12.407 1.00 0.00 H ATOM 1767 N MET B 52 2.164 20.281 -15.312 1.00 20.44 N ATOM 1768 CA MET B 52 2.125 19.784 -16.649 1.00 23.57 C ATOM 1769 C MET B 52 3.153 18.684 -16.868 1.00 21.89 C ATOM 1770 O MET B 52 2.838 17.698 -17.521 1.00 21.61 O ATOM 1771 CB MET B 52 2.249 20.914 -17.659 1.00 29.80 C ATOM 1772 CG MET B 52 1.809 20.475 -19.066 1.00 37.53 C ATOM 1773 SD MET B 52 0.188 19.599 -19.192 1.00 50.69 S ATOM 1774 CE MET B 52 -0.968 20.930 -18.870 1.00 48.85 C ATOM 1775 H MET B 52 2.491 21.248 -15.115 1.00 0.00 H ATOM 1776 N TYR B 53 4.361 18.841 -16.312 1.00 19.21 N ATOM 1777 CA TYR B 53 5.365 17.784 -16.427 1.00 17.31 C ATOM 1778 C TYR B 53 4.821 16.475 -15.836 1.00 17.82 C ATOM 1779 O TYR B 53 5.030 15.361 -16.369 1.00 18.05 O ATOM 1780 CB TYR B 53 6.630 18.156 -15.685 1.00 18.62 C ATOM 1781 CG TYR B 53 7.458 19.289 -16.261 1.00 20.57 C ATOM 1782 CD1 TYR B 53 7.694 19.378 -17.635 1.00 23.34 C ATOM 1783 CD2 TYR B 53 8.079 20.214 -15.412 1.00 20.60 C ATOM 1784 CE1 TYR B 53 8.466 20.435 -18.138 1.00 22.96 C ATOM 1785 CE2 TYR B 53 8.880 21.249 -15.911 1.00 21.57 C ATOM 1786 CZ TYR B 53 9.059 21.332 -17.292 1.00 24.00 C ATOM 1787 OH TYR B 53 9.831 22.354 -17.789 1.00 22.10 O ATOM 1788 HH TYR B 53 9.869 22.287 -18.776 1.00 0.00 H ATOM 1789 H TYR B 53 4.586 19.716 -15.797 1.00 0.00 H ATOM 1790 N ALA B 54 4.176 16.619 -14.663 1.00 17.12 N ATOM 1791 CA ALA B 54 3.677 15.436 -13.959 1.00 17.02 C ATOM 1792 C ALA B 54 2.557 14.786 -14.773 1.00 14.63 C ATOM 1793 O ALA B 54 2.584 13.558 -14.978 1.00 14.97 O ATOM 1794 CB ALA B 54 3.197 15.806 -12.536 1.00 15.01 C ATOM 1795 H ALA B 54 4.033 17.566 -14.259 1.00 0.00 H ATOM 1796 N ALA B 55 1.612 15.598 -15.264 1.00 17.10 N ATOM 1797 CA ALA B 55 0.528 15.123 -16.144 1.00 17.64 C ATOM 1798 C ALA B 55 1.021 14.326 -17.354 1.00 18.90 C ATOM 1799 O ALA B 55 0.515 13.214 -17.601 1.00 18.29 O ATOM 1800 CB ALA B 55 -0.410 16.246 -16.582 1.00 17.55 C ATOM 1801 H ALA B 55 1.644 16.607 -15.014 1.00 0.00 H ATOM 1802 N SER B 56 2.045 14.859 -18.023 1.00 20.30 N ATOM 1803 CA SER B 56 2.632 14.162 -19.175 1.00 23.57 C ATOM 1804 C SER B 56 3.282 12.848 -18.802 1.00 23.14 C ATOM 1805 O SER B 56 3.110 11.827 -19.505 1.00 24.01 O ATOM 1806 CB SER B 56 3.633 15.060 -19.904 1.00 25.52 C ATOM 1807 OG SER B 56 2.939 16.202 -20.323 1.00 31.19 O ATOM 1808 HG SER B 56 2.564 16.667 -19.534 1.00 0.00 H ATOM 1809 H SER B 56 2.432 15.778 -17.726 1.00 0.00 H ATOM 1810 N ASP B 57 4.052 12.860 -17.709 1.00 19.38 N ATOM 1811 CA ASP B 57 4.685 11.622 -17.297 1.00 19.25 C ATOM 1812 C ASP B 57 3.701 10.557 -16.846 1.00 18.00 C ATOM 1813 O ASP B 57 3.890 9.359 -17.123 1.00 18.37 O ATOM 1814 CB ASP B 57 5.652 11.905 -16.141 1.00 18.65 C ATOM 1815 CG ASP B 57 6.591 10.776 -15.918 1.00 21.85 C ATOM 1816 OD1 ASP B 57 7.530 10.661 -16.748 1.00 24.72 O ATOM 1817 OD2 ASP B 57 6.420 9.967 -14.981 1.00 21.73 O ATOM 1818 H ASP B 57 4.194 13.736 -17.167 1.00 0.00 H ATOM 1819 N ILE B 58 2.655 10.958 -16.100 1.00 16.98 N ATOM 1820 CA ILE B 58 1.694 10.001 -15.617 1.00 15.74 C ATOM 1821 C ILE B 58 1.010 9.349 -16.851 1.00 16.05 C ATOM 1822 O ILE B 58 0.790 8.149 -16.912 1.00 17.44 O ATOM 1823 CB ILE B 58 0.652 10.680 -14.751 1.00 15.40 C ATOM 1824 CG1 ILE B 58 1.295 11.072 -13.385 1.00 16.95 C ATOM 1825 CG2 ILE B 58 -0.568 9.810 -14.463 1.00 15.95 C ATOM 1826 CD1 ILE B 58 0.316 11.828 -12.519 1.00 18.72 C ATOM 1827 H ILE B 58 2.540 11.966 -15.871 1.00 0.00 H ATOM 1828 N ALA B 59 0.757 10.196 -17.843 1.00 19.19 N ATOM 1829 CA ALA B 59 0.109 9.766 -19.069 1.00 19.21 C ATOM 1830 C ALA B 59 0.965 8.771 -19.827 1.00 18.56 C ATOM 1831 O ALA B 59 0.461 7.744 -20.296 1.00 21.51 O ATOM 1832 CB ALA B 59 -0.270 10.970 -19.925 1.00 20.48 C ATOM 1833 H ALA B 59 1.031 11.194 -17.738 1.00 0.00 H ATOM 1834 N SER B 60 2.234 9.105 -19.976 1.00 20.33 N ATOM 1835 CA SER B 60 3.209 8.238 -20.664 1.00 22.94 C ATOM 1836 C SER B 60 3.376 6.922 -19.913 1.00 22.13 C ATOM 1837 O SER B 60 3.306 5.832 -20.479 1.00 26.15 O ATOM 1838 CB SER B 60 4.539 8.996 -20.769 1.00 28.12 C ATOM 1839 OG SER B 60 5.487 8.251 -21.521 1.00 34.05 O ATOM 1840 HG SER B 60 5.649 7.381 -21.077 1.00 0.00 H ATOM 1841 H SER B 60 2.559 10.016 -19.593 1.00 0.00 H ATOM 1842 N HIS B 61 3.654 6.981 -18.629 1.00 21.42 N ATOM 1843 CA HIS B 61 3.778 5.746 -17.893 1.00 21.41 C ATOM 1844 C HIS B 61 2.552 4.891 -18.010 1.00 21.64 C ATOM 1845 O HIS B 61 2.654 3.668 -18.214 1.00 22.46 O ATOM 1846 CB HIS B 61 4.178 6.048 -16.467 1.00 21.06 C ATOM 1847 CG HIS B 61 4.346 4.824 -15.606 1.00 21.50 C ATOM 1848 ND1 HIS B 61 5.253 3.863 -15.887 1.00 23.78 N ATOM 1849 CD2 HIS B 61 3.660 4.395 -14.455 1.00 23.91 C ATOM 1850 CE1 HIS B 61 5.185 2.896 -14.935 1.00 24.64 C ATOM 1851 NE2 HIS B 61 4.219 3.221 -14.071 1.00 24.69 N ATOM 1852 H HIS B 61 3.782 7.898 -18.154 1.00 0.00 H ATOM 1853 N SER B 62 1.368 5.512 -17.915 1.00 22.14 N ATOM 1854 CA SER B 62 0.117 4.791 -18.018 1.00 23.16 C ATOM 1855 C SER B 62 -0.001 4.132 -19.387 1.00 23.03 C ATOM 1856 O SER B 62 -0.456 3.002 -19.483 1.00 24.36 O ATOM 1857 CB SER B 62 -1.059 5.742 -17.821 1.00 25.98 C ATOM 1858 OG SER B 62 -1.213 5.984 -16.429 1.00 27.20 O ATOM 1859 HG SER B 62 -0.384 6.391 -16.072 1.00 0.00 H ATOM 1860 H SER B 62 1.348 6.541 -17.763 1.00 0.00 H ATOM 1861 N SER B 63 0.388 4.872 -20.412 1.00 27.52 N ATOM 1862 CA SER B 63 0.435 4.328 -21.784 1.00 30.02 C ATOM 1863 C SER B 63 1.347 3.071 -21.837 1.00 33.70 C ATOM 1864 O SER B 63 0.908 1.984 -22.276 1.00 36.51 O ATOM 1865 CB SER B 63 0.839 5.398 -22.813 1.00 29.93 C ATOM 1866 OG SER B 63 0.920 4.804 -24.111 1.00 31.92 O ATOM 1867 HG SER B 63 1.180 5.493 -24.772 1.00 0.00 H ATOM 1868 H SER B 63 0.667 5.860 -20.248 1.00 0.00 H ATOM 1869 N ARG B 64 2.578 3.216 -21.354 1.00 33.14 N ATOM 1870 CA ARG B 64 3.518 2.104 -21.278 1.00 34.63 C ATOM 1871 C ARG B 64 2.948 0.880 -20.530 1.00 36.96 C ATOM 1872 O ARG B 64 3.176 -0.263 -20.961 1.00 37.50 O ATOM 1873 CB ARG B 64 4.838 2.576 -20.672 1.00 42.15 C ATOM 1874 CG ARG B 64 5.966 1.565 -20.792 1.00 54.62 C ATOM 1875 CD ARG B 64 7.306 2.223 -20.529 1.00 63.83 C ATOM 1876 NE ARG B 64 7.521 2.413 -19.101 1.00 69.86 N ATOM 1877 CZ ARG B 64 8.275 3.374 -18.580 1.00 80.12 C ATOM 1878 NH1 ARG B 64 8.407 3.468 -17.260 1.00 79.98 N ATOM 1879 NH2 ARG B 64 8.887 4.251 -19.374 1.00 84.82 N ATOM 1880 HE ARG B 64 7.054 1.753 -18.447 1.00 0.00 H ATOM 1881 HH12 ARG B 64 8.997 4.219 -16.849 1.00 0.00 H ATOM 1882 HH11 ARG B 64 7.921 2.790 -16.639 1.00 0.00 H ATOM 1883 HH22 ARG B 64 9.477 5.002 -18.962 1.00 0.00 H ATOM 1884 HH21 ARG B 64 8.775 4.185 -20.406 1.00 0.00 H ATOM 1885 H ARG B 64 2.880 4.153 -21.020 1.00 0.00 H ATOM 1886 N LEU B 65 2.186 1.103 -19.451 1.00 28.40 N ATOM 1887 CA LEU B 65 1.667 0.016 -18.640 1.00 29.87 C ATOM 1888 C LEU B 65 0.406 -0.598 -19.212 1.00 29.98 C ATOM 1889 O LEU B 65 -0.057 -1.642 -18.713 1.00 29.92 O ATOM 1890 CB LEU B 65 1.346 0.466 -17.203 1.00 28.28 C ATOM 1891 CG LEU B 65 2.438 0.836 -16.210 1.00 30.84 C ATOM 1892 CD1 LEU B 65 1.778 1.162 -14.879 1.00 32.96 C ATOM 1893 CD2 LEU B 65 3.446 -0.284 -16.030 1.00 32.80 C ATOM 1894 H LEU B 65 1.960 2.083 -19.187 1.00 0.00 H ATOM 1895 N LYS B 66 -0.145 0.076 -20.226 1.00 28.14 N ATOM 1896 CA LYS B 66 -1.472 -0.185 -20.803 1.00 30.12 C ATOM 1897 C LYS B 66 -2.613 -0.148 -19.772 1.00 31.49 C ATOM 1898 O LYS B 66 -3.506 -1.000 -19.822 1.00 33.21 O ATOM 1899 CB LYS B 66 -1.531 -1.498 -21.638 1.00 34.38 C ATOM 1900 CG LYS B 66 -0.211 -2.253 -21.812 1.00 38.41 C ATOM 1901 CD LYS B 66 0.572 -1.815 -23.039 1.00 39.78 C ATOM 1902 CE LYS B 66 -0.103 -2.309 -24.314 1.00 41.18 C ATOM 1903 NZ LYS B 66 0.522 -1.766 -25.555 1.00 47.04 N ATOM 1904 HZ1 LYS B 66 0.460 -0.728 -25.547 1.00 0.00 H ATOM 1905 HZ2 LYS B 66 1.520 -2.055 -25.594 1.00 0.00 H ATOM 1906 HZ3 LYS B 66 0.019 -2.138 -26.386 1.00 0.00 H ATOM 1907 H LYS B 66 0.411 0.850 -20.642 1.00 0.00 H ATOM 1908 N VAL B 67 -2.591 0.823 -18.845 1.00 26.68 N ATOM 1909 CA VAL B 67 -3.704 1.038 -17.882 1.00 25.30 C ATOM 1910 C VAL B 67 -4.670 2.066 -18.447 1.00 26.89 C ATOM 1911 O VAL B 67 -4.291 2.899 -19.269 1.00 24.78 O ATOM 1912 CB VAL B 67 -3.275 1.554 -16.478 1.00 26.23 C ATOM 1913 CG1 VAL B 67 -2.431 0.498 -15.776 1.00 28.37 C ATOM 1914 CG2 VAL B 67 -2.502 2.867 -16.568 1.00 29.49 C ATOM 1915 H VAL B 67 -1.763 1.450 -18.798 1.00 0.00 H ATOM 1916 N THR B 68 -5.904 2.010 -17.995 1.00 23.77 N ATOM 1917 CA THR B 68 -6.914 2.926 -18.499 1.00 25.62 C ATOM 1918 C THR B 68 -7.565 3.599 -17.325 1.00 21.65 C ATOM 1919 O THR B 68 -8.558 4.239 -17.481 1.00 21.65 O ATOM 1920 CB THR B 68 -7.954 2.184 -19.393 1.00 26.80 C ATOM 1921 OG1 THR B 68 -8.605 1.187 -18.624 1.00 28.63 O ATOM 1922 CG2 THR B 68 -7.262 1.466 -20.586 1.00 27.25 C ATOM 1923 HG1 THR B 68 -9.068 1.612 -17.859 1.00 0.00 H ATOM 1924 H THR B 68 -6.159 1.306 -17.273 1.00 0.00 H ATOM 1925 N THR B 69 -6.995 3.461 -16.114 1.00 21.08 N ATOM 1926 CA THR B 69 -7.507 4.161 -14.938 1.00 19.33 C ATOM 1927 C THR B 69 -6.300 4.639 -14.091 1.00 20.81 C ATOM 1928 O THR B 69 -5.337 3.875 -13.885 1.00 20.01 O ATOM 1929 CB THR B 69 -8.334 3.201 -14.040 1.00 22.06 C ATOM 1930 OG1 THR B 69 -9.499 2.763 -14.743 1.00 23.32 O ATOM 1931 CG2 THR B 69 -8.801 3.807 -12.696 1.00 21.53 C ATOM 1932 HG1 THR B 69 -9.226 2.287 -15.567 1.00 0.00 H ATOM 1933 H THR B 69 -6.168 2.839 -16.012 1.00 0.00 H ATOM 1934 N VAL B 70 -6.388 5.890 -13.625 1.00 18.67 N ATOM 1935 CA VAL B 70 -5.312 6.515 -12.828 1.00 18.82 C ATOM 1936 C VAL B 70 -5.989 7.096 -11.625 1.00 17.99 C ATOM 1937 O VAL B 70 -6.996 7.817 -11.729 1.00 20.29 O ATOM 1938 CB VAL B 70 -4.551 7.633 -13.583 1.00 18.50 C ATOM 1939 CG1 VAL B 70 -3.639 8.406 -12.612 1.00 20.54 C ATOM 1940 CG2 VAL B 70 -3.803 7.029 -14.735 1.00 19.99 C ATOM 1941 H VAL B 70 -7.245 6.443 -13.831 1.00 0.00 H ATOM 1942 N ILE B 71 -5.523 6.703 -10.432 1.00 18.31 N ATOM 1943 CA ILE B 71 -6.025 7.341 -9.212 1.00 16.10 C ATOM 1944 C ILE B 71 -5.018 8.364 -8.659 1.00 18.47 C ATOM 1945 O ILE B 71 -3.822 8.016 -8.459 1.00 16.85 O ATOM 1946 CB ILE B 71 -6.288 6.263 -8.081 1.00 18.63 C ATOM 1947 CG1 ILE B 71 -6.986 5.002 -8.644 1.00 20.42 C ATOM 1948 CG2 ILE B 71 -6.972 6.925 -6.907 1.00 18.16 C ATOM 1949 CD1 ILE B 71 -8.417 5.263 -9.053 1.00 23.59 C ATOM 1950 H ILE B 71 -4.809 5.949 -10.372 1.00 0.00 H ATOM 1951 N LEU B 72 -5.447 9.613 -8.491 1.00 18.11 N ATOM 1952 CA LEU B 72 -4.612 10.664 -7.883 1.00 19.78 C ATOM 1953 C LEU B 72 -4.961 10.690 -6.414 1.00 17.30 C ATOM 1954 O LEU B 72 -6.040 11.123 -6.029 1.00 19.08 O ATOM 1955 CB LEU B 72 -4.853 12.051 -8.532 1.00 18.68 C ATOM 1956 CG LEU B 72 -4.542 12.071 -10.042 1.00 19.83 C ATOM 1957 CD1 LEU B 72 -4.883 13.466 -10.531 1.00 21.66 C ATOM 1958 CD2 LEU B 72 -3.062 11.762 -10.338 1.00 21.22 C ATOM 1959 H LEU B 72 -6.409 9.857 -8.801 1.00 0.00 H ATOM 1960 N TYR B 73 -4.061 10.163 -5.591 1.00 16.74 N ATOM 1961 CA TYR B 73 -4.282 9.942 -4.174 1.00 17.58 C ATOM 1962 C TYR B 73 -3.377 10.867 -3.384 1.00 19.22 C ATOM 1963 O TYR B 73 -2.158 10.620 -3.289 1.00 16.48 O ATOM 1964 CB TYR B 73 -3.884 8.493 -3.882 1.00 19.28 C ATOM 1965 CG TYR B 73 -4.397 7.989 -2.557 1.00 20.34 C ATOM 1966 CD1 TYR B 73 -3.526 7.805 -1.478 1.00 21.13 C ATOM 1967 CD2 TYR B 73 -5.756 7.737 -2.374 1.00 21.17 C ATOM 1968 CE1 TYR B 73 -3.994 7.302 -0.263 1.00 21.91 C ATOM 1969 CE2 TYR B 73 -6.238 7.253 -1.171 1.00 21.66 C ATOM 1970 CZ TYR B 73 -5.356 7.071 -0.100 1.00 22.20 C ATOM 1971 OH TYR B 73 -5.868 6.570 1.078 1.00 23.00 O ATOM 1972 HH TYR B 73 -5.141 6.492 1.746 1.00 0.00 H ATOM 1973 H TYR B 73 -3.139 9.891 -5.988 1.00 0.00 H ATOM 1974 N PRO B 74 -3.944 11.947 -2.816 1.00 18.43 N ATOM 1975 CA PRO B 74 -3.175 12.905 -2.024 1.00 18.08 C ATOM 1976 C PRO B 74 -2.470 12.190 -0.843 1.00 19.76 C ATOM 1977 O PRO B 74 -3.067 11.328 -0.176 1.00 20.71 O ATOM 1978 CB PRO B 74 -4.248 13.889 -1.505 1.00 18.99 C ATOM 1979 CG PRO B 74 -5.385 13.765 -2.443 1.00 23.60 C ATOM 1980 CD PRO B 74 -5.369 12.327 -2.941 1.00 21.24 C ATOM 1981 N TYR B 75 -1.184 12.486 -0.675 1.00 18.19 N ATOM 1982 CA TYR B 75 -0.373 11.744 0.315 1.00 20.35 C ATOM 1983 C TYR B 75 0.652 12.684 0.915 1.00 22.55 C ATOM 1984 O TYR B 75 1.382 13.340 0.207 1.00 23.50 O ATOM 1985 CB TYR B 75 0.273 10.476 -0.323 1.00 20.51 C ATOM 1986 CG TYR B 75 0.527 9.363 0.668 1.00 24.00 C ATOM 1987 CD1 TYR B 75 -0.557 8.678 1.267 1.00 26.00 C ATOM 1988 CD2 TYR B 75 1.815 8.998 1.023 1.00 27.97 C ATOM 1989 CE1 TYR B 75 -0.348 7.659 2.183 1.00 29.56 C ATOM 1990 CE2 TYR B 75 2.029 7.986 1.962 1.00 28.61 C ATOM 1991 CZ TYR B 75 0.953 7.320 2.533 1.00 29.90 C ATOM 1992 OH TYR B 75 1.200 6.289 3.442 1.00 32.30 O ATOM 1993 HH TYR B 75 0.339 5.916 3.758 1.00 0.00 H ATOM 1994 H TYR B 75 -0.748 13.241 -1.241 1.00 0.00 H ATOM 1995 N ALA B 76 0.701 12.811 2.238 1.00 23.50 N ATOM 1996 CA ALA B 76 1.603 13.807 2.828 1.00 23.45 C ATOM 1997 C ALA B 76 3.006 13.319 3.079 1.00 23.04 C ATOM 1998 O ALA B 76 3.880 14.100 3.457 1.00 29.75 O ATOM 1999 CB ALA B 76 1.015 14.328 4.136 1.00 28.09 C ATOM 2000 H ALA B 76 0.108 12.212 2.847 1.00 0.00 H ATOM 2001 N HIS B 77 3.241 12.029 2.893 1.00 23.22 N ATOM 2002 CA HIS B 77 4.439 11.431 3.459 1.00 23.62 C ATOM 2003 C HIS B 77 5.572 11.109 2.537 1.00 22.81 C ATOM 2004 O HIS B 77 6.569 10.568 2.964 1.00 21.99 O ATOM 2005 CB HIS B 77 4.031 10.237 4.340 1.00 26.46 C ATOM 2006 CG HIS B 77 3.171 10.650 5.491 1.00 29.04 C ATOM 2007 ND1 HIS B 77 3.633 11.435 6.496 1.00 33.05 N ATOM 2008 CD2 HIS B 77 1.837 10.428 5.749 1.00 30.07 C ATOM 2009 CE1 HIS B 77 2.639 11.672 7.365 1.00 31.22 C ATOM 2010 NE2 HIS B 77 1.540 11.057 6.906 1.00 33.34 N ATOM 2011 H HIS B 77 2.574 11.448 2.346 1.00 0.00 H ATOM 2012 N LEU B 78 5.487 11.498 1.264 1.00 20.48 N ATOM 2013 CA LEU B 78 6.565 11.120 0.347 1.00 21.03 C ATOM 2014 C LEU B 78 7.793 12.011 0.350 1.00 21.83 C ATOM 2015 O LEU B 78 8.822 11.627 -0.208 1.00 25.86 O ATOM 2016 CB LEU B 78 6.035 11.029 -1.099 1.00 19.85 C ATOM 2017 CG LEU B 78 4.900 10.047 -1.313 1.00 20.82 C ATOM 2018 CD1 LEU B 78 4.598 10.075 -2.810 1.00 22.22 C ATOM 2019 CD2 LEU B 78 5.255 8.643 -0.892 1.00 22.64 C ATOM 2020 H LEU B 78 4.675 12.056 0.931 1.00 0.00 H ATOM 2021 N SER B 79 7.710 13.177 1.004 1.00 20.07 N ATOM 2022 CA SER B 79 8.875 14.065 1.038 1.00 23.30 C ATOM 2023 C SER B 79 8.820 14.960 2.285 1.00 21.50 C ATOM 2024 O SER B 79 7.785 14.988 2.975 1.00 22.61 O ATOM 2025 CB SER B 79 8.924 14.915 -0.248 1.00 24.79 C ATOM 2026 OG SER B 79 8.264 16.171 -0.133 1.00 22.21 O ATOM 2027 HG SER B 79 8.335 16.660 -0.991 1.00 0.00 H ATOM 2028 H SER B 79 6.828 13.449 1.483 1.00 0.00 H ATOM 2029 N SER B 80 9.905 15.742 2.489 1.00 21.16 N ATOM 2030 CA SER B 80 9.998 16.662 3.609 1.00 22.87 C ATOM 2031 C SER B 80 10.077 18.126 3.162 1.00 21.07 C ATOM 2032 O SER B 80 10.845 18.922 3.689 1.00 21.09 O ATOM 2033 CB SER B 80 11.204 16.247 4.484 1.00 21.66 C ATOM 2034 OG SER B 80 10.855 15.103 5.226 1.00 26.08 O ATOM 2035 HG SER B 80 11.622 14.830 5.790 1.00 0.00 H ATOM 2036 H SER B 80 10.700 15.682 1.821 1.00 0.00 H ATOM 2037 N ARG B 81 9.257 18.489 2.173 1.00 21.19 N ATOM 2038 CA ARG B 81 9.169 19.882 1.699 1.00 22.87 C ATOM 2039 C ARG B 81 7.758 20.172 1.178 1.00 21.65 C ATOM 2040 O ARG B 81 7.578 20.724 0.062 1.00 19.55 O ATOM 2041 CB ARG B 81 10.281 20.229 0.686 1.00 28.11 C ATOM 2042 CG ARG B 81 10.677 19.072 -0.210 1.00 30.94 C ATOM 2043 CD ARG B 81 11.828 19.449 -1.133 1.00 34.61 C ATOM 2044 NE ARG B 81 11.917 18.484 -2.230 1.00 37.03 N ATOM 2045 CZ ARG B 81 12.838 18.507 -3.194 1.00 39.24 C ATOM 2046 NH1 ARG B 81 13.786 19.441 -3.194 1.00 38.39 N ATOM 2047 NH2 ARG B 81 12.825 17.573 -4.143 1.00 39.07 N ATOM 2048 HE ARG B 81 11.209 17.723 -2.260 1.00 0.00 H ATOM 2049 HH12 ARG B 81 14.502 19.455 -3.948 1.00 0.00 H ATOM 2050 HH11 ARG B 81 13.811 20.157 -2.440 1.00 0.00 H ATOM 2051 HH22 ARG B 81 13.542 17.587 -4.897 1.00 0.00 H ATOM 2052 HH21 ARG B 81 12.098 16.829 -4.131 1.00 0.00 H ATOM 2053 H ARG B 81 8.661 17.766 1.722 1.00 0.00 H ATOM 2054 N LEU B 82 6.770 19.804 2.023 1.00 20.64 N ATOM 2055 CA LEU B 82 5.342 19.934 1.683 1.00 20.60 C ATOM 2056 C LEU B 82 4.934 21.365 1.414 1.00 24.18 C ATOM 2057 O LEU B 82 5.391 22.301 2.094 1.00 24.81 O ATOM 2058 CB LEU B 82 4.437 19.412 2.781 1.00 22.44 C ATOM 2059 CG LEU B 82 4.217 17.916 2.798 1.00 24.27 C ATOM 2060 CD1 LEU B 82 3.147 17.583 3.820 1.00 23.40 C ATOM 2061 CD2 LEU B 82 3.842 17.388 1.434 1.00 27.33 C ATOM 2062 H LEU B 82 7.028 19.413 2.952 1.00 0.00 H ATOM 2063 N ALA B 83 4.060 21.533 0.423 1.00 20.04 N ATOM 2064 CA ALA B 83 3.351 22.796 0.269 1.00 21.41 C ATOM 2065 C ALA B 83 2.280 22.839 1.382 1.00 19.76 C ATOM 2066 O ALA B 83 1.913 21.797 1.925 1.00 21.44 O ATOM 2067 CB ALA B 83 2.676 22.868 -1.091 1.00 20.41 C ATOM 2068 H ALA B 83 3.883 20.757 -0.246 1.00 0.00 H ATOM 2069 N LYS B 84 1.754 24.043 1.667 1.00 23.88 N ATOM 2070 CA LYS B 84 0.596 24.214 2.544 1.00 24.58 C ATOM 2071 C LYS B 84 -0.675 23.603 1.965 1.00 26.35 C ATOM 2072 O LYS B 84 -0.781 23.435 0.723 1.00 24.17 O ATOM 2073 CB LYS B 84 0.324 25.709 2.775 1.00 29.63 C ATOM 2074 CG LYS B 84 1.480 26.450 3.407 1.00 33.29 C ATOM 2075 CD LYS B 84 1.207 27.941 3.344 1.00 38.95 C ATOM 2076 CE LYS B 84 2.032 28.691 4.372 1.00 38.64 C ATOM 2077 NZ LYS B 84 1.432 30.051 4.551 1.00 40.91 N ATOM 2078 HZ1 LYS B 84 1.446 30.557 3.642 1.00 0.00 H ATOM 2079 HZ2 LYS B 84 0.450 29.955 4.881 1.00 0.00 H ATOM 2080 HZ3 LYS B 84 1.984 30.583 5.254 1.00 0.00 H ATOM 2081 H LYS B 84 2.189 24.889 1.246 1.00 0.00 H ATOM 2082 N PRO B 85 -1.656 23.299 2.824 1.00 26.05 N ATOM 2083 CA PRO B 85 -2.805 22.548 2.332 1.00 28.34 C ATOM 2084 C PRO B 85 -3.604 23.240 1.254 1.00 27.59 C ATOM 2085 O PRO B 85 -4.055 22.552 0.349 1.00 30.31 O ATOM 2086 CB PRO B 85 -3.665 22.361 3.584 1.00 30.75 C ATOM 2087 CG PRO B 85 -2.654 22.308 4.685 1.00 30.66 C ATOM 2088 CD PRO B 85 -1.665 23.365 4.307 1.00 25.86 C ATOM 2089 N MET B 86 -3.812 24.553 1.360 1.00 26.77 N ATOM 2090 CA MET B 86 -4.543 25.281 0.291 1.00 30.86 C ATOM 2091 C MET B 86 -3.862 25.189 -1.068 1.00 26.26 C ATOM 2092 O MET B 86 -4.520 24.840 -2.048 1.00 24.62 O ATOM 2093 CB MET B 86 -4.740 26.758 0.662 1.00 37.52 C ATOM 2094 CG MET B 86 -5.811 26.918 1.732 1.00 48.07 C ATOM 2095 SD MET B 86 -6.974 28.237 1.309 1.00 66.44 S ATOM 2096 CE MET B 86 -6.187 29.688 2.048 1.00 58.10 C ATOM 2097 H MET B 86 -3.462 25.068 2.193 1.00 0.00 H ATOM 2098 N ALA B 87 -2.559 25.485 -1.103 1.00 27.79 N ATOM 2099 CA ALA B 87 -1.767 25.384 -2.334 1.00 25.69 C ATOM 2100 C ALA B 87 -1.804 23.959 -2.879 1.00 23.95 C ATOM 2101 O ALA B 87 -1.998 23.765 -4.094 1.00 23.24 O ATOM 2102 CB ALA B 87 -0.320 25.855 -2.114 1.00 25.51 C ATOM 2103 H ALA B 87 -2.091 25.797 -0.228 1.00 0.00 H ATOM 2104 N ALA B 88 -1.647 22.953 -2.000 1.00 22.64 N ATOM 2105 CA ALA B 88 -1.614 21.539 -2.427 1.00 21.56 C ATOM 2106 C ALA B 88 -2.927 21.138 -3.039 1.00 21.32 C ATOM 2107 O ALA B 88 -2.965 20.447 -4.050 1.00 18.62 O ATOM 2108 CB ALA B 88 -1.270 20.600 -1.241 1.00 21.29 C ATOM 2109 H ALA B 88 -1.546 23.177 -0.990 1.00 0.00 H ATOM 2110 N HIS B 89 -4.039 21.544 -2.421 1.00 22.23 N ATOM 2111 CA HIS B 89 -5.343 21.184 -2.971 1.00 21.57 C ATOM 2112 C HIS B 89 -5.513 21.847 -4.334 1.00 21.93 C ATOM 2113 O HIS B 89 -6.051 21.224 -5.262 1.00 21.88 O ATOM 2114 CB HIS B 89 -6.430 21.641 -2.028 1.00 22.30 C ATOM 2115 CG HIS B 89 -7.806 21.238 -2.440 1.00 24.68 C ATOM 2116 ND1 HIS B 89 -8.787 22.142 -2.640 1.00 28.06 N ATOM 2117 CD2 HIS B 89 -8.360 19.995 -2.716 1.00 23.21 C ATOM 2118 CE1 HIS B 89 -9.912 21.504 -2.979 1.00 26.31 C ATOM 2119 NE2 HIS B 89 -9.652 20.194 -3.007 1.00 27.69 N ATOM 2120 H HIS B 89 -3.977 22.113 -1.553 1.00 0.00 H ATOM 2121 N LYS B 90 -5.030 23.074 -4.467 1.00 21.57 N ATOM 2122 CA LYS B 90 -5.115 23.741 -5.776 1.00 23.25 C ATOM 2123 C LYS B 90 -4.277 23.026 -6.846 1.00 22.21 C ATOM 2124 O LYS B 90 -4.739 22.784 -7.984 1.00 23.80 O ATOM 2125 CB LYS B 90 -4.647 25.195 -5.690 1.00 27.38 C ATOM 2126 CG LYS B 90 -5.159 25.994 -6.887 1.00 35.66 C ATOM 2127 CD LYS B 90 -4.577 27.397 -7.021 1.00 38.31 C ATOM 2128 CE LYS B 90 -5.671 28.370 -7.429 1.00 47.33 C ATOM 2129 NZ LYS B 90 -6.608 28.538 -6.273 1.00 47.40 N ATOM 2130 HZ1 LYS B 90 -7.023 27.616 -6.028 1.00 0.00 H ATOM 2131 HZ2 LYS B 90 -6.085 28.912 -5.456 1.00 0.00 H ATOM 2132 HZ3 LYS B 90 -7.364 29.202 -6.535 1.00 0.00 H ATOM 2133 H LYS B 90 -4.596 23.560 -3.656 1.00 0.00 H ATOM 2134 N ARG B 91 -3.030 22.745 -6.498 1.00 20.27 N ATOM 2135 CA ARG B 91 -2.153 21.977 -7.427 1.00 18.50 C ATOM 2136 C ARG B 91 -2.743 20.608 -7.775 1.00 18.59 C ATOM 2137 O ARG B 91 -2.596 20.161 -8.886 1.00 17.65 O ATOM 2138 CB ARG B 91 -0.739 21.803 -6.891 1.00 20.73 C ATOM 2139 CG ARG B 91 0.119 22.997 -6.585 1.00 25.87 C ATOM 2140 CD ARG B 91 0.616 23.791 -7.803 1.00 29.86 C ATOM 2141 NE ARG B 91 -0.340 24.799 -8.140 1.00 29.41 N ATOM 2142 CZ ARG B 91 -0.608 25.874 -7.398 1.00 33.87 C ATOM 2143 NH1 ARG B 91 0.049 26.113 -6.244 1.00 33.08 N ATOM 2144 NH2 ARG B 91 -1.544 26.733 -7.820 1.00 35.98 N ATOM 2145 HE ARG B 91 -0.866 24.685 -9.030 1.00 0.00 H ATOM 2146 HH12 ARG B 91 -0.177 26.958 -5.682 1.00 0.00 H ATOM 2147 HH11 ARG B 91 0.782 25.452 -5.916 1.00 0.00 H ATOM 2148 HH22 ARG B 91 -1.767 27.577 -7.255 1.00 0.00 H ATOM 2149 HH21 ARG B 91 -2.048 26.556 -8.712 1.00 0.00 H ATOM 2150 H ARG B 91 -2.663 23.060 -5.577 1.00 0.00 H ATOM 2151 N LEU B 92 -3.375 19.903 -6.825 1.00 17.44 N ATOM 2152 CA LEU B 92 -3.915 18.576 -7.135 1.00 17.15 C ATOM 2153 C LEU B 92 -5.133 18.677 -8.059 1.00 18.93 C ATOM 2154 O LEU B 92 -5.340 17.857 -8.937 1.00 16.46 O ATOM 2155 CB LEU B 92 -4.316 17.886 -5.813 1.00 20.77 C ATOM 2156 CG LEU B 92 -3.126 17.127 -5.195 1.00 21.67 C ATOM 2157 CD1 LEU B 92 -3.296 16.857 -3.706 1.00 25.25 C ATOM 2158 CD2 LEU B 92 -2.994 15.807 -5.992 1.00 25.64 C ATOM 2159 H LEU B 92 -3.482 20.298 -5.869 1.00 0.00 H ATOM 2160 N ILE B 93 -5.931 19.714 -7.865 1.00 18.66 N ATOM 2161 CA ILE B 93 -7.041 19.995 -8.816 1.00 18.05 C ATOM 2162 C ILE B 93 -6.489 20.309 -10.203 1.00 17.72 C ATOM 2163 O ILE B 93 -6.977 19.742 -11.188 1.00 18.30 O ATOM 2164 CB ILE B 93 -7.924 21.136 -8.299 1.00 18.57 C ATOM 2165 CG1 ILE B 93 -8.665 20.619 -7.081 1.00 19.73 C ATOM 2166 CG2 ILE B 93 -8.987 21.490 -9.319 1.00 18.55 C ATOM 2167 CD1 ILE B 93 -9.307 21.728 -6.297 1.00 21.88 C ATOM 2168 H ILE B 93 -5.782 20.336 -7.045 1.00 0.00 H ATOM 2169 N GLU B 94 -5.482 21.183 -10.278 1.00 18.92 N ATOM 2170 CA GLU B 94 -4.775 21.434 -11.581 1.00 20.52 C ATOM 2171 C GLU B 94 -4.189 20.184 -12.201 1.00 18.14 C ATOM 2172 O GLU B 94 -4.236 20.002 -13.466 1.00 18.17 O ATOM 2173 CB GLU B 94 -3.654 22.471 -11.454 1.00 19.38 C ATOM 2174 CG GLU B 94 -4.158 23.864 -11.104 1.00 26.19 C ATOM 2175 CD GLU B 94 -3.048 24.748 -10.576 1.00 27.89 C ATOM 2176 OE1 GLU B 94 -3.316 25.941 -10.284 1.00 34.71 O ATOM 2177 OE2 GLU B 94 -1.910 24.269 -10.467 1.00 30.68 O ATOM 2178 H GLU B 94 -5.183 21.696 -9.424 1.00 0.00 H ATOM 2179 N LEU B 95 -3.572 19.329 -11.378 1.00 17.33 N ATOM 2180 CA LEU B 95 -3.038 18.085 -11.906 1.00 15.78 C ATOM 2181 C LEU B 95 -4.093 17.172 -12.507 1.00 16.40 C ATOM 2182 O LEU B 95 -3.913 16.621 -13.582 1.00 16.51 O ATOM 2183 CB LEU B 95 -2.270 17.313 -10.803 1.00 16.68 C ATOM 2184 CG LEU B 95 -1.662 15.994 -11.260 1.00 15.92 C ATOM 2185 CD1 LEU B 95 -0.653 16.167 -12.401 1.00 18.00 C ATOM 2186 CD2 LEU B 95 -0.954 15.328 -10.066 1.00 17.79 C ATOM 2187 H LEU B 95 -3.475 19.553 -10.367 1.00 0.00 H ATOM 2188 N GLU B 96 -5.220 17.086 -11.838 1.00 15.67 N ATOM 2189 CA GLU B 96 -6.345 16.285 -12.329 1.00 18.86 C ATOM 2190 C GLU B 96 -6.771 16.806 -13.687 1.00 18.59 C ATOM 2191 O GLU B 96 -6.888 16.036 -14.636 1.00 18.79 O ATOM 2192 CB GLU B 96 -7.494 16.371 -11.327 1.00 20.53 C ATOM 2193 CG GLU B 96 -8.714 15.579 -11.814 1.00 21.16 C ATOM 2194 CD GLU B 96 -9.984 15.932 -11.032 1.00 22.82 C ATOM 2195 OE1 GLU B 96 -9.911 16.713 -10.051 1.00 22.93 O ATOM 2196 OE2 GLU B 96 -11.036 15.307 -11.362 1.00 25.65 O ATOM 2197 H GLU B 96 -5.316 17.599 -10.938 1.00 0.00 H ATOM 2198 N GLY B 97 -6.945 18.131 -13.761 1.00 18.90 N ATOM 2199 CA GLY B 97 -7.305 18.790 -15.017 1.00 20.39 C ATOM 2200 C GLY B 97 -6.321 18.556 -16.133 1.00 19.25 C ATOM 2201 O GLY B 97 -6.723 18.218 -17.255 1.00 17.41 O ATOM 2202 H GLY B 97 -6.821 18.707 -12.904 1.00 0.00 H ATOM 2203 N ALA B 98 -5.041 18.745 -15.814 1.00 18.09 N ATOM 2204 CA ALA B 98 -3.925 18.529 -16.781 1.00 19.30 C ATOM 2205 C ALA B 98 -3.876 17.102 -17.269 1.00 17.78 C ATOM 2206 O ALA B 98 -3.683 16.829 -18.473 1.00 18.29 O ATOM 2207 CB ALA B 98 -2.581 18.950 -16.190 1.00 19.25 C ATOM 2208 H ALA B 98 -4.810 19.057 -14.849 1.00 0.00 H ATOM 2209 N LEU B 99 -4.053 16.148 -16.355 1.00 16.09 N ATOM 2210 CA LEU B 99 -3.973 14.770 -16.758 1.00 15.14 C ATOM 2211 C LEU B 99 -5.043 14.418 -17.804 1.00 15.79 C ATOM 2212 O LEU B 99 -4.746 13.649 -18.748 1.00 16.88 O ATOM 2213 CB LEU B 99 -4.086 13.822 -15.525 1.00 15.03 C ATOM 2214 CG LEU B 99 -3.903 12.339 -15.794 1.00 15.07 C ATOM 2215 CD1 LEU B 99 -2.583 11.974 -16.456 1.00 15.67 C ATOM 2216 CD2 LEU B 99 -3.985 11.634 -14.458 1.00 15.94 C ATOM 2217 H LEU B 99 -4.246 16.397 -15.364 1.00 0.00 H ATOM 2218 N ARG B 100 -6.226 15.035 -17.672 1.00 16.80 N ATOM 2219 CA ARG B 100 -7.321 14.700 -18.582 1.00 18.57 C ATOM 2220 C ARG B 100 -7.046 15.169 -20.001 1.00 19.88 C ATOM 2221 O ARG B 100 -7.583 14.589 -20.970 1.00 19.82 O ATOM 2222 CB ARG B 100 -8.647 15.268 -18.113 1.00 18.67 C ATOM 2223 CG ARG B 100 -9.068 14.766 -16.772 1.00 18.57 C ATOM 2224 CD ARG B 100 -10.491 15.249 -16.499 1.00 19.69 C ATOM 2225 NE ARG B 100 -10.907 14.937 -15.122 1.00 21.69 N ATOM 2226 CZ ARG B 100 -11.329 13.737 -14.788 1.00 19.52 C ATOM 2227 NH1 ARG B 100 -11.384 12.775 -15.713 1.00 22.46 N ATOM 2228 NH2 ARG B 100 -11.680 13.484 -13.544 1.00 19.50 N ATOM 2229 HE ARG B 100 -10.866 15.682 -14.397 1.00 0.00 H ATOM 2230 HH12 ARG B 100 -11.717 11.824 -15.455 1.00 0.00 H ATOM 2231 HH11 ARG B 100 -11.094 12.977 -16.691 1.00 0.00 H ATOM 2232 HH22 ARG B 100 -12.014 12.535 -13.281 1.00 0.00 H ATOM 2233 HH21 ARG B 100 -11.624 14.233 -12.825 1.00 0.00 H ATOM 2234 H ARG B 100 -6.364 15.747 -16.927 1.00 0.00 H ATOM 2235 N THR B 101 -6.156 16.150 -20.128 1.00 18.63 N ATOM 2236 CA THR B 101 -5.679 16.584 -21.485 1.00 20.61 C ATOM 2237 C THR B 101 -4.604 15.712 -22.130 1.00 20.68 C ATOM 2238 O THR B 101 -4.222 15.969 -23.313 1.00 22.91 O ATOM 2239 CB THR B 101 -5.124 18.045 -21.434 1.00 20.96 C ATOM 2240 OG1 THR B 101 -3.748 18.095 -20.941 1.00 22.05 O ATOM 2241 CG2 THR B 101 -6.046 18.919 -20.653 1.00 21.64 C ATOM 2242 HG1 THR B 101 -3.713 17.719 -20.026 1.00 0.00 H ATOM 2243 H THR B 101 -5.786 16.622 -19.278 1.00 0.00 H ATOM 2244 N LYS B 102 -4.073 14.725 -21.370 1.00 18.80 N ATOM 2245 CA LYS B 102 -2.949 13.922 -21.823 1.00 19.83 C ATOM 2246 C LYS B 102 -3.211 12.410 -21.833 1.00 19.67 C ATOM 2247 O LYS B 102 -2.494 11.630 -22.502 1.00 21.84 O ATOM 2248 CB LYS B 102 -1.690 14.251 -20.999 1.00 21.54 C ATOM 2249 CG LYS B 102 -1.169 15.671 -21.150 1.00 24.29 C ATOM 2250 CD LYS B 102 -0.633 15.854 -22.583 1.00 30.38 C ATOM 2251 CE LYS B 102 0.161 17.141 -22.714 1.00 34.96 C ATOM 2252 NZ LYS B 102 -0.734 18.343 -22.584 1.00 41.22 N ATOM 2253 HZ1 LYS B 102 -1.456 18.319 -23.332 1.00 0.00 H ATOM 2254 HZ2 LYS B 102 -1.197 18.330 -21.653 1.00 0.00 H ATOM 2255 HZ3 LYS B 102 -0.165 19.209 -22.677 1.00 0.00 H ATOM 2256 H LYS B 102 -4.482 14.535 -20.433 1.00 0.00 H ATOM 2257 N PHE B 103 -4.220 12.012 -21.073 1.00 19.64 N ATOM 2258 CA PHE B 103 -4.530 10.622 -20.784 1.00 19.77 C ATOM 2259 C PHE B 103 -6.010 10.385 -21.030 1.00 18.73 C ATOM 2260 O PHE B 103 -6.840 11.065 -20.482 1.00 18.85 O ATOM 2261 CB PHE B 103 -4.195 10.369 -19.303 1.00 18.21 C ATOM 2262 CG PHE B 103 -4.680 9.033 -18.754 1.00 20.56 C ATOM 2263 CD1 PHE B 103 -4.128 7.806 -19.222 1.00 19.55 C ATOM 2264 CD2 PHE B 103 -5.675 9.016 -17.788 1.00 17.76 C ATOM 2265 CE1 PHE B 103 -4.609 6.576 -18.713 1.00 21.37 C ATOM 2266 CE2 PHE B 103 -6.150 7.797 -17.270 1.00 18.14 C ATOM 2267 CZ PHE B 103 -5.616 6.591 -17.746 1.00 18.98 C ATOM 2268 H PHE B 103 -4.831 12.743 -20.655 1.00 0.00 H ATOM 2269 N PRO B 104 -6.357 9.379 -21.854 1.00 20.54 N ATOM 2270 CA PRO B 104 -7.760 9.227 -22.219 1.00 19.87 C ATOM 2271 C PRO B 104 -8.639 8.367 -21.318 1.00 20.67 C ATOM 2272 O PRO B 104 -9.857 8.295 -21.532 1.00 21.12 O ATOM 2273 CB PRO B 104 -7.667 8.575 -23.604 1.00 20.13 C ATOM 2274 CG PRO B 104 -6.467 7.717 -23.484 1.00 19.49 C ATOM 2275 CD PRO B 104 -5.477 8.486 -22.627 1.00 19.59 C ATOM 2276 N GLY B 105 -8.062 7.779 -20.266 1.00 18.09 N ATOM 2277 CA GLY B 105 -8.830 6.868 -19.404 1.00 19.16 C ATOM 2278 C GLY B 105 -9.463 7.551 -18.205 1.00 18.59 C ATOM 2279 O GLY B 105 -9.601 8.754 -18.147 1.00 20.37 O ATOM 2280 H GLY B 105 -7.061 7.967 -20.055 1.00 0.00 H ATOM 2281 N HIS B 106 -9.889 6.739 -17.243 1.00 19.99 N ATOM 2282 CA HIS B 106 -10.568 7.251 -16.089 1.00 17.24 C ATOM 2283 C HIS B 106 -9.573 7.923 -15.174 1.00 19.10 C ATOM 2284 O HIS B 106 -8.507 7.352 -14.888 1.00 20.40 O ATOM 2285 CB HIS B 106 -11.194 6.034 -15.466 1.00 18.05 C ATOM 2286 CG HIS B 106 -11.953 6.272 -14.201 1.00 18.33 C ATOM 2287 ND1 HIS B 106 -12.430 5.218 -13.477 1.00 19.68 N ATOM 2288 CD2 HIS B 106 -12.353 7.425 -13.537 1.00 18.35 C ATOM 2289 CE1 HIS B 106 -13.091 5.697 -12.400 1.00 18.16 C ATOM 2290 NE2 HIS B 106 -13.018 7.028 -12.414 1.00 18.38 N ATOM 2291 H HIS B 106 -9.727 5.715 -17.329 1.00 0.00 H ATOM 2292 N VAL B 107 -9.848 9.147 -14.765 1.00 16.70 N ATOM 2293 CA VAL B 107 -8.978 9.807 -13.773 1.00 17.73 C ATOM 2294 C VAL B 107 -9.826 10.061 -12.547 1.00 19.08 C ATOM 2295 O VAL B 107 -10.862 10.710 -12.609 1.00 19.74 O ATOM 2296 CB VAL B 107 -8.406 11.166 -14.259 1.00 18.57 C ATOM 2297 CG1 VAL B 107 -7.631 11.857 -13.148 1.00 18.62 C ATOM 2298 CG2 VAL B 107 -7.509 11.039 -15.485 1.00 18.21 C ATOM 2299 H VAL B 107 -10.678 9.647 -15.142 1.00 0.00 H ATOM 2300 N HIS B 108 -9.382 9.586 -11.381 1.00 17.47 N ATOM 2301 CA HIS B 108 -10.159 9.757 -10.187 1.00 19.18 C ATOM 2302 C HIS B 108 -9.307 10.460 -9.211 1.00 21.10 C ATOM 2303 O HIS B 108 -8.210 9.960 -8.894 1.00 19.11 O ATOM 2304 CB HIS B 108 -10.558 8.397 -9.578 1.00 19.35 C ATOM 2305 CG HIS B 108 -11.339 8.529 -8.300 1.00 19.66 C ATOM 2306 ND1 HIS B 108 -12.695 8.603 -8.276 1.00 23.88 N ATOM 2307 CD2 HIS B 108 -10.926 8.613 -6.975 1.00 20.52 C ATOM 2308 CE1 HIS B 108 -13.127 8.724 -7.006 1.00 23.35 C ATOM 2309 NE2 HIS B 108 -12.050 8.737 -6.205 1.00 21.65 N ATOM 2310 H HIS B 108 -8.469 9.090 -11.338 1.00 0.00 H ATOM 2311 N ARG B 109 -9.753 11.622 -8.726 1.00 19.62 N ATOM 2312 CA ARG B 109 -8.963 12.290 -7.708 1.00 22.14 C ATOM 2313 C ARG B 109 -9.588 11.991 -6.334 1.00 22.33 C ATOM 2314 O ARG B 109 -10.745 12.361 -6.097 1.00 23.73 O ATOM 2315 CB ARG B 109 -8.876 13.795 -7.941 1.00 23.46 C ATOM 2316 CG ARG B 109 -8.021 14.568 -6.914 1.00 23.61 C ATOM 2317 CD ARG B 109 -8.028 16.079 -7.190 1.00 26.45 C ATOM 2318 NE ARG B 109 -9.330 16.749 -7.045 1.00 30.98 N ATOM 2319 CZ ARG B 109 -9.873 17.071 -5.870 1.00 31.05 C ATOM 2320 NH1 ARG B 109 -9.275 16.754 -4.717 1.00 39.28 N ATOM 2321 NH2 ARG B 109 -11.014 17.703 -5.839 1.00 38.13 N ATOM 2322 HE ARG B 109 -9.858 16.985 -7.909 1.00 0.00 H ATOM 2323 HH12 ARG B 109 -9.717 17.015 -3.813 1.00 0.00 H ATOM 2324 HH11 ARG B 109 -8.368 16.246 -4.724 1.00 0.00 H ATOM 2325 HH22 ARG B 109 -11.443 17.957 -4.926 1.00 0.00 H ATOM 2326 HH21 ARG B 109 -11.494 17.953 -6.727 1.00 0.00 H ATOM 2327 H ARG B 109 -10.643 12.037 -9.069 1.00 0.00 H ATOM 2328 N ALA B 110 -8.830 11.339 -5.452 1.00 21.28 N ATOM 2329 CA ALA B 110 -9.340 11.009 -4.120 1.00 23.10 C ATOM 2330 C ALA B 110 -9.420 12.309 -3.296 1.00 24.74 C ATOM 2331 O ALA B 110 -8.686 13.277 -3.539 1.00 26.24 O ATOM 2332 CB ALA B 110 -8.410 10.022 -3.431 1.00 22.10 C ATOM 2333 H ALA B 110 -7.863 11.061 -5.714 1.00 0.00 H ATOM 2334 N PRO B 111 -10.324 12.345 -2.286 1.00 27.81 N ATOM 2335 CA PRO B 111 -10.575 13.551 -1.517 1.00 25.13 C ATOM 2336 C PRO B 111 -9.421 14.031 -0.681 1.00 24.80 C ATOM 2337 O PRO B 111 -8.696 13.226 -0.091 1.00 27.74 O ATOM 2338 CB PRO B 111 -11.774 13.145 -0.607 1.00 27.75 C ATOM 2339 CG PRO B 111 -11.635 11.675 -0.506 1.00 28.99 C ATOM 2340 CD PRO B 111 -11.235 11.262 -1.890 1.00 25.17 C ATOM 2341 N PHE B 112 -9.265 15.348 -0.617 1.00 22.82 N ATOM 2342 CA PHE B 112 -8.149 15.961 0.076 1.00 21.97 C ATOM 2343 C PHE B 112 -8.511 16.449 1.482 1.00 24.35 C ATOM 2344 O PHE B 112 -9.606 17.010 1.673 1.00 28.34 O ATOM 2345 CB PHE B 112 -7.686 17.142 -0.788 1.00 24.54 C ATOM 2346 CG PHE B 112 -6.457 17.838 -0.303 1.00 23.22 C ATOM 2347 CD1 PHE B 112 -6.521 18.819 0.703 1.00 21.83 C ATOM 2348 CD2 PHE B 112 -5.221 17.591 -0.903 1.00 22.73 C ATOM 2349 CE1 PHE B 112 -5.388 19.477 1.136 1.00 22.63 C ATOM 2350 CE2 PHE B 112 -4.086 18.253 -0.470 1.00 21.75 C ATOM 2351 CZ PHE B 112 -4.165 19.204 0.547 1.00 23.41 C ATOM 2352 H PHE B 112 -9.967 15.960 -1.080 1.00 0.00 H ATOM 2353 N GLY B 113 -7.609 16.243 2.445 1.00 22.90 N ATOM 2354 CA GLY B 113 -7.772 16.751 3.813 1.00 26.20 C ATOM 2355 C GLY B 113 -8.327 15.688 4.768 1.00 25.01 C ATOM 2356 O GLY B 113 -8.768 16.027 5.877 1.00 32.76 O ATOM 2357 H GLY B 113 -6.753 15.699 2.216 1.00 0.00 H ATOM 2358 N TRP B 114 -8.360 14.420 4.353 1.00 26.05 N ATOM 2359 CA TRP B 114 -8.987 13.361 5.170 1.00 24.53 C ATOM 2360 C TRP B 114 -7.956 12.382 5.599 1.00 27.07 C ATOM 2361 O TRP B 114 -7.007 12.115 4.838 1.00 25.56 O ATOM 2362 CB TRP B 114 -10.030 12.611 4.347 1.00 25.57 C ATOM 2363 CG TRP B 114 -11.229 13.465 4.128 1.00 26.36 C ATOM 2364 CD1 TRP B 114 -11.456 14.387 3.082 1.00 24.89 C ATOM 2365 CD2 TRP B 114 -12.364 13.622 5.048 1.00 26.62 C ATOM 2366 NE1 TRP B 114 -12.655 15.023 3.246 1.00 27.76 N ATOM 2367 CE2 TRP B 114 -13.255 14.597 4.436 1.00 29.09 C ATOM 2368 CE3 TRP B 114 -12.734 13.026 6.261 1.00 26.85 C ATOM 2369 CZ2 TRP B 114 -14.459 14.971 5.041 1.00 29.31 C ATOM 2370 CZ3 TRP B 114 -13.942 13.396 6.835 1.00 28.38 C ATOM 2371 CH2 TRP B 114 -14.782 14.352 6.235 1.00 29.19 C ATOM 2372 HE1 TRP B 114 -13.060 15.718 2.586 1.00 0.00 H ATOM 2373 H TRP B 114 -7.936 14.173 3.436 1.00 0.00 H ATOM 2374 N TYR B 115 -8.080 11.823 6.816 1.00 26.43 N ATOM 2375 CA TYR B 115 -7.448 10.511 7.055 1.00 24.74 C ATOM 2376 C TYR B 115 -8.206 9.457 6.309 1.00 26.98 C ATOM 2377 O TYR B 115 -9.437 9.499 6.211 1.00 24.96 O ATOM 2378 CB TYR B 115 -7.367 10.117 8.545 1.00 27.54 C ATOM 2379 CG TYR B 115 -6.536 11.076 9.355 1.00 26.95 C ATOM 2380 CD1 TYR B 115 -5.140 11.137 9.192 1.00 29.81 C ATOM 2381 CD2 TYR B 115 -7.129 11.950 10.237 1.00 29.59 C ATOM 2382 CE1 TYR B 115 -4.384 12.044 9.886 1.00 27.20 C ATOM 2383 CE2 TYR B 115 -6.378 12.849 10.969 1.00 27.15 C ATOM 2384 CZ TYR B 115 -5.008 12.888 10.793 1.00 31.83 C ATOM 2385 OH TYR B 115 -4.262 13.792 11.505 1.00 32.65 O ATOM 2386 HH TYR B 115 -4.380 13.625 12.474 1.00 0.00 H ATOM 2387 H TYR B 115 -8.609 12.304 7.571 1.00 0.00 H ATOM 2388 N LYS B 116 -7.493 8.489 5.759 1.00 23.79 N ATOM 2389 CA LYS B 116 -8.176 7.461 4.982 1.00 26.37 C ATOM 2390 C LYS B 116 -7.617 6.080 5.235 1.00 27.36 C ATOM 2391 O LYS B 116 -6.418 5.907 5.375 1.00 28.65 O ATOM 2392 CB LYS B 116 -8.028 7.734 3.466 1.00 28.29 C ATOM 2393 CG LYS B 116 -8.854 8.867 2.899 1.00 29.55 C ATOM 2394 CD LYS B 116 -8.539 9.054 1.420 1.00 32.78 C ATOM 2395 CE LYS B 116 -7.331 9.969 1.204 1.00 35.62 C ATOM 2396 NZ LYS B 116 -7.390 11.336 1.808 1.00 32.65 N ATOM 2397 HZ1 LYS B 116 -8.203 11.852 1.416 1.00 0.00 H ATOM 2398 HZ2 LYS B 116 -7.495 11.254 2.839 1.00 0.00 H ATOM 2399 HZ3 LYS B 116 -6.513 11.849 1.588 1.00 0.00 H ATOM 2400 H LYS B 116 -6.460 8.461 5.879 1.00 0.00 H ATOM 2401 N SER B 117 -8.477 5.079 5.208 1.00 26.73 N ATOM 2402 CA SER B 117 -8.046 3.724 4.989 1.00 24.25 C ATOM 2403 C SER B 117 -7.970 3.367 3.501 1.00 26.35 C ATOM 2404 O SER B 117 -8.654 3.945 2.660 1.00 24.09 O ATOM 2405 CB SER B 117 -9.000 2.739 5.694 1.00 27.19 C ATOM 2406 OG SER B 117 -10.310 2.836 5.122 1.00 28.42 O ATOM 2407 HG SER B 117 -10.916 2.201 5.579 1.00 0.00 H ATOM 2408 H SER B 117 -9.489 5.274 5.348 1.00 0.00 H ATOM 2409 N PHE B 118 -7.156 2.397 3.178 1.00 22.81 N ATOM 2410 CA PHE B 118 -7.030 1.976 1.817 1.00 23.12 C ATOM 2411 C PHE B 118 -6.555 0.582 1.821 1.00 23.92 C ATOM 2412 O PHE B 118 -5.998 0.133 2.829 1.00 27.57 O ATOM 2413 CB PHE B 118 -6.104 2.928 1.033 1.00 22.45 C ATOM 2414 CG PHE B 118 -4.614 2.718 1.281 1.00 23.72 C ATOM 2415 CD1 PHE B 118 -3.956 3.492 2.229 1.00 22.62 C ATOM 2416 CD2 PHE B 118 -3.890 1.811 0.512 1.00 23.66 C ATOM 2417 CE1 PHE B 118 -2.587 3.323 2.442 1.00 23.71 C ATOM 2418 CE2 PHE B 118 -2.531 1.613 0.727 1.00 26.26 C ATOM 2419 CZ PHE B 118 -1.884 2.379 1.686 1.00 22.07 C ATOM 2420 H PHE B 118 -6.595 1.927 3.917 1.00 0.00 H ATOM 2421 N SER B 119 -6.809 -0.114 0.721 1.00 25.22 N ATOM 2422 CA SER B 119 -6.223 -1.388 0.443 1.00 25.37 C ATOM 2423 C SER B 119 -5.786 -1.328 -0.976 1.00 28.31 C ATOM 2424 O SER B 119 -6.414 -0.672 -1.826 1.00 27.45 O ATOM 2425 CB SER B 119 -7.208 -2.533 0.683 1.00 31.65 C ATOM 2426 OG SER B 119 -8.096 -2.179 1.729 1.00 40.50 O ATOM 2427 HG SER B 119 -8.734 -2.920 1.884 1.00 0.00 H ATOM 2428 H SER B 119 -7.469 0.288 0.025 1.00 0.00 H ATOM 2429 N ILE B 120 -4.675 -1.974 -1.244 1.00 25.38 N ATOM 2430 CA ILE B 120 -4.158 -2.065 -2.587 1.00 24.21 C ATOM 2431 C ILE B 120 -3.685 -3.451 -2.673 1.00 25.60 C ATOM 2432 O ILE B 120 -3.304 -4.086 -1.634 1.00 25.60 O ATOM 2433 CB ILE B 120 -2.970 -1.076 -2.805 1.00 25.08 C ATOM 2434 CG1 ILE B 120 -2.470 -1.077 -4.250 1.00 26.14 C ATOM 2435 CG2 ILE B 120 -1.747 -1.489 -1.951 1.00 21.58 C ATOM 2436 CD1 ILE B 120 -1.766 0.211 -4.676 1.00 27.46 C ATOM 2437 H ILE B 120 -4.155 -2.432 -0.468 1.00 0.00 H ATOM 2438 N ALA B 121 -3.708 -3.952 -3.887 1.00 26.22 N ATOM 2439 CA ALA B 121 -3.018 -5.134 -4.221 1.00 26.70 C ATOM 2440 C ALA B 121 -2.123 -4.722 -5.365 1.00 28.56 C ATOM 2441 O ALA B 121 -2.560 -4.571 -6.495 1.00 32.04 O ATOM 2442 CB ALA B 121 -4.007 -6.206 -4.625 1.00 27.39 C ATOM 2443 H ALA B 121 -4.252 -3.461 -4.625 1.00 0.00 H ATOM 2444 N CYS B 122 -0.852 -4.500 -5.060 1.00 24.06 N ATOM 2445 CA CYS B 122 0.105 -3.992 -6.006 1.00 24.58 C ATOM 2446 C CYS B 122 0.746 -5.168 -6.723 1.00 25.94 C ATOM 2447 O CYS B 122 1.138 -6.155 -6.103 1.00 25.71 O ATOM 2448 CB CYS B 122 1.142 -3.180 -5.234 1.00 29.05 C ATOM 2449 SG CYS B 122 2.371 -2.353 -6.223 1.00 29.84 S ATOM 2450 H CYS B 122 -0.532 -4.703 -4.091 1.00 0.00 H ATOM 2451 N LYS B 123 0.809 -5.073 -8.044 1.00 27.53 N ATOM 2452 CA LYS B 123 1.537 -6.019 -8.882 1.00 30.83 C ATOM 2453 C LYS B 123 3.030 -6.055 -8.569 1.00 29.91 C ATOM 2454 O LYS B 123 3.604 -5.138 -7.954 1.00 29.31 O ATOM 2455 CB LYS B 123 1.328 -5.731 -10.379 1.00 33.03 C ATOM 2456 CG LYS B 123 -0.108 -5.892 -10.823 1.00 34.91 C ATOM 2457 CD LYS B 123 -0.281 -5.385 -12.242 1.00 34.60 C ATOM 2458 CE LYS B 123 -1.731 -5.516 -12.666 1.00 37.93 C ATOM 2459 NZ LYS B 123 -1.878 -6.760 -13.490 1.00 42.31 N ATOM 2460 HZ1 LYS B 123 -1.268 -6.692 -14.329 1.00 0.00 H ATOM 2461 HZ2 LYS B 123 -1.599 -7.585 -12.922 1.00 0.00 H ATOM 2462 HZ3 LYS B 123 -2.869 -6.862 -13.788 1.00 0.00 H ATOM 2463 H LYS B 123 0.314 -4.284 -8.506 1.00 0.00 H ATOM 2464 N GLY B 124 3.642 -7.159 -8.951 1.00 28.51 N ATOM 2465 CA GLY B 124 5.024 -7.362 -8.602 1.00 30.06 C ATOM 2466 C GLY B 124 5.903 -7.305 -9.794 1.00 25.97 C ATOM 2467 O GLY B 124 7.059 -7.711 -9.732 1.00 32.33 O ATOM 2468 H GLY B 124 3.130 -7.878 -9.501 1.00 0.00 H ATOM 2469 N HIS B 125 5.387 -6.798 -10.918 1.00 27.92 N ATOM 2470 CA HIS B 125 6.229 -6.822 -12.097 1.00 27.89 C ATOM 2471 C HIS B 125 7.189 -5.673 -12.007 1.00 26.48 C ATOM 2472 O HIS B 125 6.997 -4.796 -11.127 1.00 27.95 O ATOM 2473 CB HIS B 125 5.376 -6.838 -13.378 1.00 29.14 C ATOM 2474 CG HIS B 125 4.747 -5.509 -13.702 1.00 27.53 C ATOM 2475 ND1 HIS B 125 5.458 -4.484 -14.236 1.00 28.21 N ATOM 2476 CD2 HIS B 125 3.449 -5.064 -13.570 1.00 28.43 C ATOM 2477 CE1 HIS B 125 4.642 -3.431 -14.421 1.00 27.88 C ATOM 2478 NE2 HIS B 125 3.408 -3.793 -14.027 1.00 25.57 N ATOM 2479 H HIS B 125 4.425 -6.404 -10.945 1.00 0.00 H ATOM 2480 N PRO B 126 8.240 -5.663 -12.852 1.00 26.08 N ATOM 2481 CA PRO B 126 9.343 -4.741 -12.799 1.00 27.75 C ATOM 2482 C PRO B 126 9.022 -3.251 -12.755 1.00 29.42 C ATOM 2483 O PRO B 126 9.807 -2.477 -12.208 1.00 31.26 O ATOM 2484 CB PRO B 126 10.114 -5.088 -14.071 1.00 29.47 C ATOM 2485 CG PRO B 126 10.055 -6.555 -14.040 1.00 27.74 C ATOM 2486 CD PRO B 126 8.589 -6.797 -13.743 1.00 27.97 C ATOM 2487 N LEU B 127 7.912 -2.865 -13.362 1.00 28.48 N ATOM 2488 CA LEU B 127 7.550 -1.453 -13.468 1.00 29.45 C ATOM 2489 C LEU B 127 6.356 -1.149 -12.601 1.00 24.82 C ATOM 2490 O LEU B 127 5.690 -0.139 -12.814 1.00 26.17 O ATOM 2491 CB LEU B 127 7.235 -1.085 -14.936 1.00 31.64 C ATOM 2492 CG LEU B 127 8.363 -1.252 -15.946 1.00 37.36 C ATOM 2493 CD1 LEU B 127 7.884 -0.776 -17.314 1.00 42.37 C ATOM 2494 CD2 LEU B 127 9.610 -0.498 -15.520 1.00 40.41 C ATOM 2495 H LEU B 127 7.282 -3.583 -13.773 1.00 0.00 H ATOM 2496 N ALA B 128 6.053 -1.996 -11.613 1.00 22.84 N ATOM 2497 CA ALA B 128 4.820 -1.837 -10.903 1.00 19.82 C ATOM 2498 C ALA B 128 4.921 -0.771 -9.790 1.00 22.57 C ATOM 2499 O ALA B 128 3.916 -0.461 -9.186 1.00 22.80 O ATOM 2500 CB ALA B 128 4.356 -3.143 -10.290 1.00 22.19 C ATOM 2501 H ALA B 128 6.707 -2.764 -11.362 1.00 0.00 H ATOM 2502 N GLU B 129 6.152 -0.378 -9.441 1.00 24.85 N ATOM 2503 CA GLU B 129 6.395 0.604 -8.319 1.00 25.13 C ATOM 2504 C GLU B 129 7.595 1.442 -8.738 1.00 24.42 C ATOM 2505 O GLU B 129 8.701 0.901 -8.974 1.00 24.35 O ATOM 2506 CB GLU B 129 6.702 -0.119 -6.992 1.00 26.21 C ATOM 2507 CG GLU B 129 5.563 -0.983 -6.481 1.00 29.60 C ATOM 2508 CD GLU B 129 5.986 -1.830 -5.294 1.00 37.27 C ATOM 2509 OE1 GLU B 129 6.805 -2.743 -5.481 1.00 48.83 O ATOM 2510 OE2 GLU B 129 5.510 -1.588 -4.183 1.00 41.70 O ATOM 2511 H GLU B 129 6.968 -0.761 -9.959 1.00 0.00 H ATOM 2512 N LEU B 130 7.368 2.744 -8.914 1.00 23.31 N ATOM 2513 CA LEU B 130 8.366 3.693 -9.384 1.00 22.11 C ATOM 2514 C LEU B 130 8.098 5.007 -8.662 1.00 20.55 C ATOM 2515 O LEU B 130 6.955 5.303 -8.384 1.00 23.31 O ATOM 2516 CB LEU B 130 8.222 3.949 -10.885 1.00 23.81 C ATOM 2517 CG LEU B 130 8.469 2.818 -11.906 1.00 26.76 C ATOM 2518 CD1 LEU B 130 8.462 3.458 -13.280 1.00 27.94 C ATOM 2519 CD2 LEU B 130 9.814 2.138 -11.679 1.00 28.95 C ATOM 2520 H LEU B 130 6.416 3.105 -8.702 1.00 0.00 H ATOM 2521 N SER B 131 9.133 5.762 -8.371 1.00 19.24 N ATOM 2522 CA SER B 131 8.962 7.115 -7.839 1.00 20.57 C ATOM 2523 C SER B 131 9.347 8.139 -8.898 1.00 18.73 C ATOM 2524 O SER B 131 10.027 7.830 -9.886 1.00 21.42 O ATOM 2525 CB SER B 131 9.746 7.305 -6.526 1.00 24.70 C ATOM 2526 OG SER B 131 11.083 6.813 -6.690 1.00 26.27 O ATOM 2527 HG SER B 131 11.053 5.851 -6.920 1.00 0.00 H ATOM 2528 H SER B 131 10.093 5.391 -8.522 1.00 0.00 H ATOM 2529 N ARG B 132 8.842 9.363 -8.728 1.00 17.40 N ATOM 2530 CA ARG B 132 9.000 10.466 -9.692 1.00 18.32 C ATOM 2531 C ARG B 132 9.096 11.757 -8.911 1.00 19.19 C ATOM 2532 O ARG B 132 8.431 11.912 -7.852 1.00 21.43 O ATOM 2533 CB ARG B 132 7.800 10.574 -10.646 1.00 19.28 C ATOM 2534 CG ARG B 132 7.702 9.475 -11.676 1.00 21.20 C ATOM 2535 CD ARG B 132 8.942 9.533 -12.565 1.00 23.09 C ATOM 2536 NE ARG B 132 8.806 8.686 -13.744 1.00 24.93 N ATOM 2537 CZ ARG B 132 9.344 7.478 -13.853 1.00 25.26 C ATOM 2538 NH1 ARG B 132 10.005 6.948 -12.822 1.00 25.94 N ATOM 2539 NH2 ARG B 132 9.177 6.762 -14.980 1.00 27.14 N ATOM 2540 HE ARG B 132 8.255 9.050 -14.547 1.00 0.00 H ATOM 2541 HH12 ARG B 132 10.427 6.001 -12.906 1.00 0.00 H ATOM 2542 HH11 ARG B 132 10.098 7.482 -11.934 1.00 0.00 H ATOM 2543 HH22 ARG B 132 9.600 5.815 -15.062 1.00 0.00 H ATOM 2544 HH21 ARG B 132 8.625 7.155 -15.769 1.00 0.00 H ATOM 2545 H ARG B 132 8.302 9.550 -7.859 1.00 0.00 H ATOM 2546 N SER B 133 9.903 12.669 -9.396 1.00 17.49 N ATOM 2547 CA SER B 133 9.959 14.034 -8.834 1.00 18.40 C ATOM 2548 C SER B 133 9.833 15.022 -9.944 1.00 18.77 C ATOM 2549 O SER B 133 10.405 14.788 -11.010 1.00 19.54 O ATOM 2550 CB SER B 133 11.267 14.241 -8.101 1.00 21.59 C ATOM 2551 OG SER B 133 11.391 15.594 -7.706 1.00 29.66 O ATOM 2552 HG SER B 133 10.640 15.832 -7.107 1.00 0.00 H ATOM 2553 H SER B 133 10.520 12.425 -10.197 1.00 0.00 H ATOM 2554 N PHE B 134 9.098 16.108 -9.725 1.00 17.11 N ATOM 2555 CA PHE B 134 8.916 17.185 -10.701 1.00 17.84 C ATOM 2556 C PHE B 134 9.090 18.519 -10.032 1.00 21.05 C ATOM 2557 O PHE B 134 8.759 18.693 -8.864 1.00 21.42 O ATOM 2558 CB PHE B 134 7.530 17.079 -11.422 1.00 17.69 C ATOM 2559 CG PHE B 134 7.329 15.768 -12.118 1.00 18.43 C ATOM 2560 CD1 PHE B 134 7.977 15.475 -13.358 1.00 18.46 C ATOM 2561 CD2 PHE B 134 6.531 14.763 -11.527 1.00 17.39 C ATOM 2562 CE1 PHE B 134 7.831 14.238 -13.948 1.00 19.03 C ATOM 2563 CE2 PHE B 134 6.368 13.534 -12.131 1.00 19.54 C ATOM 2564 CZ PHE B 134 7.024 13.248 -13.345 1.00 21.25 C ATOM 2565 H PHE B 134 8.623 16.198 -8.804 1.00 0.00 H ATOM 2566 N THR B 135 9.654 19.468 -10.772 1.00 20.79 N ATOM 2567 CA THR B 135 9.984 20.754 -10.227 1.00 23.70 C ATOM 2568 C THR B 135 9.853 21.771 -11.347 1.00 24.72 C ATOM 2569 O THR B 135 9.592 21.434 -12.520 1.00 23.19 O ATOM 2570 CB THR B 135 11.440 20.816 -9.720 1.00 25.53 C ATOM 2571 OG1 THR B 135 12.316 20.724 -10.867 1.00 27.17 O ATOM 2572 CG2 THR B 135 11.756 19.710 -8.728 1.00 26.65 C ATOM 2573 HG1 THR B 135 13.258 20.762 -10.565 1.00 0.00 H ATOM 2574 H THR B 135 9.862 19.274 -11.772 1.00 0.00 H ATOM 2575 N GLU B 136 10.017 23.023 -10.953 1.00 27.07 N ATOM 2576 CA GLU B 136 10.155 24.111 -11.911 1.00 37.87 C ATOM 2577 C GLU B 136 11.060 25.230 -11.360 1.00 47.01 C ATOM 2578 O GLU B 136 11.367 25.320 -10.146 1.00 48.32 O ATOM 2579 CB GLU B 136 8.788 24.643 -12.285 1.00 38.29 C ATOM 2580 CG GLU B 136 8.084 25.479 -11.231 1.00 36.23 C ATOM 2581 CD GLU B 136 6.626 25.632 -11.611 1.00 35.31 C ATOM 2582 OE1 GLU B 136 5.937 24.621 -11.570 1.00 26.00 O ATOM 2583 OE2 GLU B 136 6.161 26.733 -12.001 1.00 40.28 O ATOM 2584 OXT GLU B 136 11.528 26.063 -12.144 1.00 52.53 O ATOM 2585 H GLU B 136 10.048 23.235 -9.935 1.00 0.00 H TER 2586 GLU B 136 HETATM 2587 MG MG A 1 6.579 -17.581 -4.575 1.00 35.10 MG HETATM 2588 MG MG A 2 -17.581 6.579 4.575 1.00 35.10 MG HETATM 2589 O HOH 3 19.151 15.100 6.015 1.00 22.29 O HETATM 2590 O HOH 4 13.160 10.886 13.100 1.00 19.36 O HETATM 2591 O HOH 5 9.998 -15.293 -6.241 1.00 22.80 O HETATM 2592 O HOH 6 26.558 -3.219 -3.623 1.00 25.62 O HETATM 2593 O HOH 7 1.701 3.905 11.647 1.00 22.19 O HETATM 2594 O HOH 8 12.339 9.908 15.824 1.00 24.72 O HETATM 2595 O HOH 9 2.403 -11.941 13.601 1.00 23.37 O HETATM 2596 O HOH 10 3.136 -16.377 6.467 1.00 28.52 O HETATM 2597 O HOH 11 8.793 -14.068 10.760 1.00 18.61 O HETATM 2598 O HOH 12 11.276 -9.043 19.021 1.00 25.29 O HETATM 2599 O HOH 13 17.906 -10.916 14.133 1.00 25.62 O HETATM 2600 O HOH 14 12.789 -11.907 9.845 1.00 24.42 O HETATM 2601 O HOH 15 10.921 12.263 9.261 1.00 25.85 O HETATM 2602 O HOH 16 7.027 -4.204 -3.165 1.00 23.61 O HETATM 2603 O HOH 17 7.311 -15.772 -4.089 1.00 28.70 O HETATM 2604 O HOH 18 15.167 6.977 18.352 1.00 24.60 O HETATM 2605 O HOH 19 0.287 -11.565 12.127 1.00 29.81 O HETATM 2606 O HOH 20 5.795 -18.162 -2.595 1.00 29.98 O HETATM 2607 O HOH 21 28.377 7.620 -1.415 1.00 39.72 O HETATM 2608 O HOH 22 22.388 9.891 3.053 1.00 26.34 O HETATM 2609 O HOH 23 19.598 -9.574 12.047 1.00 31.51 O HETATM 2610 O HOH 24 12.127 2.474 22.097 1.00 35.80 O HETATM 2611 O HOH 25 15.740 12.580 -1.261 1.00 27.71 O HETATM 2612 O HOH 26 24.752 2.432 4.612 1.00 32.17 O HETATM 2613 O HOH 27 6.431 6.809 19.305 1.00 35.80 O HETATM 2614 O HOH 28 26.323 3.689 2.690 1.00 26.18 O HETATM 2615 O HOH 29 19.211 -9.134 18.630 1.00 42.33 O HETATM 2616 O HOH 30 -0.462 -9.751 14.224 1.00 37.46 O HETATM 2617 O HOH 31 24.728 -6.810 9.106 1.00 30.81 O HETATM 2618 O HOH 32 16.003 10.648 5.320 1.00 28.86 O HETATM 2619 O HOH 33 27.941 3.752 7.208 1.00 38.26 O HETATM 2620 O HOH 34 -4.877 7.195 16.813 1.00 36.38 O HETATM 2621 O HOH 35 1.585 -16.196 2.092 1.00 47.47 O HETATM 2622 O HOH 36 22.028 -4.836 15.064 1.00 27.43 O HETATM 2623 O HOH 37 7.876 -1.820 21.855 1.00 27.60 O HETATM 2624 O HOH 38 23.916 10.066 8.420 1.00 37.94 O HETATM 2625 O HOH 39 23.533 -0.277 15.672 1.00 29.61 O HETATM 2626 O HOH 40 5.386 11.844 10.049 1.00 31.93 O HETATM 2627 O HOH 41 0.561 -9.727 16.437 1.00 40.89 O HETATM 2628 O HOH 42 26.787 -5.847 12.718 1.00 52.47 O HETATM 2629 O HOH 43 20.237 10.465 5.017 1.00 37.56 O HETATM 2630 O HOH 44 27.557 8.554 8.040 1.00 41.31 O HETATM 2631 O HOH 45 20.653 0.370 -3.990 1.00 33.97 O HETATM 2632 O HOH 46 18.982 5.336 20.381 1.00 34.43 O HETATM 2633 O HOH 47 18.405 -4.265 -10.026 1.00 45.46 O HETATM 2634 O HOH 48 -6.063 -1.961 18.450 1.00 41.17 O HETATM 2635 O HOH 49 17.561 -6.781 4.211 1.00 41.31 O HETATM 2636 O HOH 50 28.587 -6.703 3.170 1.00 50.14 O HETATM 2637 O HOH 51 -6.341 -7.442 11.740 1.00 38.16 O HETATM 2638 O HOH 52 8.905 8.741 -2.642 1.00 35.21 O HETATM 2639 O HOH 53 -4.409 6.234 7.463 1.00 46.57 O HETATM 2640 O HOH 54 22.059 8.799 6.381 1.00 31.14 O HETATM 2641 O HOH 55 -3.187 -8.445 2.902 1.00 49.54 O HETATM 2642 O HOH 56 20.294 13.091 -3.005 1.00 35.83 O HETATM 2643 O HOH 57 11.360 -0.600 -8.863 1.00 37.04 O HETATM 2644 O HOH 58 15.135 -5.703 -13.404 1.00 44.06 O HETATM 2645 O HOH 59 -6.294 -9.387 9.856 1.00 38.28 O HETATM 2646 O HOH 60 23.451 -8.715 -7.977 1.00 44.72 O HETATM 2647 O HOH 61 6.110 -19.351 -5.544 1.00 31.17 O HETATM 2648 O HOH 62 26.333 3.024 -0.136 1.00 23.86 O HETATM 2649 O HOH 63 16.775 7.129 20.553 1.00 26.72 O HETATM 2650 O HOH 64 21.740 4.905 18.399 1.00 38.08 O HETATM 2651 O HOH 65 7.853 -17.159 -6.194 1.00 30.36 O HETATM 2652 O HOH 66 17.952 14.121 -1.548 1.00 35.26 O HETATM 2653 O HOH 67 12.435 7.285 19.196 1.00 34.98 O HETATM 2654 O HOH 68 -0.377 -6.424 16.279 1.00 35.04 O HETATM 2655 O HOH 69 27.845 14.001 12.402 1.00 61.97 O HETATM 2656 O HOH 70 24.120 -7.715 11.774 1.00 46.10 O HETATM 2657 O HOH 71 1.634 -13.975 0.359 1.00 36.59 O HETATM 2658 O HOH 72 5.704 4.732 23.392 1.00 41.41 O HETATM 2659 O HOH 73 22.716 -14.015 -11.827 1.00 43.10 O HETATM 2660 O HOH 74 23.399 -7.022 14.722 1.00 42.62 O HETATM 2661 O HOH 75 27.523 10.081 18.110 1.00 59.86 O HETATM 2662 O HOH 76 29.404 -5.626 11.672 1.00 48.03 O HETATM 2663 O HOH 77 21.058 13.103 5.829 1.00 40.29 O HETATM 2664 O HOH 78 24.526 -8.349 4.698 1.00 36.28 O HETATM 2665 O HOH 79 23.394 -13.148 1.662 1.00 34.44 O HETATM 2666 O HOH 80 -10.159 -4.352 2.253 1.00 52.56 O HETATM 2667 O HOH 81 26.579 -1.234 16.782 1.00 48.63 O HETATM 2668 O HOH 82 0.882 -10.339 -2.602 1.00 23.64 O HETATM 2669 O HOH 83 11.873 6.013 21.091 1.00 53.27 O HETATM 2670 O HOH 84 -5.112 -10.076 12.934 1.00 48.70 O HETATM 2671 O HOH 85 12.314 8.129 23.038 1.00 52.46 O HETATM 2672 O HOH 86 11.822 -17.369 -7.191 1.00 30.83 O HETATM 2673 O HOH 87 14.951 -13.541 3.621 1.00 34.97 O HETATM 2674 O HOH 88 9.763 -14.624 2.735 1.00 43.45 O HETATM 2675 O HOH 89 17.801 -15.126 5.043 1.00 40.58 O HETATM 2676 O HOH 90 18.662 -16.218 -6.468 1.00 38.88 O HETATM 2677 O HOH 91 24.615 -14.540 -0.993 1.00 44.06 O HETATM 2678 O HOH 92 2.021 -8.437 -12.831 1.00 34.36 O HETATM 2679 O HOH 93 -6.672 -12.351 5.146 1.00 40.95 O HETATM 2680 O HOH 94 28.313 -1.838 4.448 1.00 43.94 O HETATM 2681 O HOH 95 15.061 5.792 -5.043 1.00 39.74 O HETATM 2682 O HOH 96 12.079 -0.347 24.065 1.00 38.07 O HETATM 2683 O HOH 97 8.855 -9.403 -10.925 1.00 31.11 O HETATM 2684 O HOH 98 8.064 -9.023 -16.619 1.00 37.81 O HETATM 2685 O HOH 99 1.899 -9.393 -9.899 1.00 38.70 O HETATM 2686 O HOH 100 14.125 12.243 4.373 1.00 34.89 O HETATM 2687 O HOH 101 1.785 -11.962 -6.570 1.00 38.47 O HETATM 2688 O HOH 102 -3.768 -13.610 -6.503 1.00 55.63 O HETATM 2689 O HOH 103 30.691 1.702 11.798 1.00 54.53 O HETATM 2690 O HOH 104 23.755 0.516 20.348 1.00 39.59 O HETATM 2691 O HOH 105 -1.954 6.842 20.245 1.00 50.00 O HETATM 2692 O HOH 106 -6.116 -4.168 18.029 1.00 44.16 O HETATM 2693 O HOH 107 8.920 -18.463 -3.906 1.00 38.03 O HETATM 2694 O HOH 108 -9.459 -6.155 4.469 1.00 45.79 O HETATM 2695 O HOH 109 10.725 -19.657 -5.697 1.00 32.89 O HETATM 2696 O HOH 110 4.991 -15.074 -9.066 1.00 42.47 O HETATM 2697 O HOH 111 19.597 -14.319 -10.047 1.00 40.40 O HETATM 2698 O HOH 112 -3.703 2.877 18.064 1.00 42.47 O HETATM 2699 O HOH 113 -3.630 -1.870 18.201 1.00 40.26 O HETATM 2700 O HOH 114 8.171 -3.077 -9.139 1.00 41.99 O HETATM 2701 O HOH 115 23.439 7.517 19.699 1.00 38.41 O HETATM 2702 O HOH 116 -10.900 -2.522 12.797 1.00 43.33 O HETATM 2703 O HOH 117 27.860 -1.631 -0.484 1.00 31.92 O HETATM 2704 O HOH 118 12.854 -15.595 1.922 1.00 43.86 O HETATM 2705 O HOH 119 11.804 -14.632 -11.650 1.00 74.62 O HETATM 2706 O HOH 120 11.019 -18.550 1.974 1.00 54.34 O HETATM 2707 O HOH 121 13.206 1.601 -12.040 1.00 43.78 O HETATM 2708 O HOH 122 16.726 16.726 0.000 1.00 52.48 O HETATM 2709 O HOH 123 -4.375 -12.397 13.440 1.00 60.05 O HETATM 2710 O HOH 124 25.430 -8.336 7.215 1.00 51.82 O HETATM 2711 O HOH 125 -7.325 -12.292 14.375 1.00 57.43 O HETATM 2712 O HOH 126 15.100 19.151 -6.015 1.00 22.29 O HETATM 2713 O HOH 127 10.886 13.160 -13.100 1.00 19.36 O HETATM 2714 O HOH 128 -15.293 9.998 6.241 1.00 22.80 O HETATM 2715 O HOH 129 -3.219 26.558 3.623 1.00 25.62 O HETATM 2716 O HOH 130 3.905 1.701 -11.647 1.00 22.19 O HETATM 2717 O HOH 131 9.908 12.339 -15.824 1.00 24.72 O HETATM 2718 O HOH 132 -11.941 2.403 -13.601 1.00 23.37 O HETATM 2719 O HOH 133 -16.377 3.136 -6.467 1.00 28.52 O HETATM 2720 O HOH 134 -14.068 8.793 -10.760 1.00 18.61 O HETATM 2721 O HOH 135 -9.043 11.276 -19.021 1.00 25.29 O HETATM 2722 O HOH 136 -10.916 17.906 -14.133 1.00 25.62 O HETATM 2723 O HOH 137 -11.907 12.789 -9.845 1.00 24.42 O HETATM 2724 O HOH 138 12.263 10.921 -9.261 1.00 25.85 O HETATM 2725 O HOH 139 -4.204 7.027 3.165 1.00 23.61 O HETATM 2726 O HOH 140 -15.772 7.311 4.089 1.00 28.70 O HETATM 2727 O HOH 141 6.977 15.167 -18.352 1.00 24.60 O HETATM 2728 O HOH 142 -11.565 0.287 -12.127 1.00 29.81 O HETATM 2729 O HOH 143 -18.162 5.795 2.595 1.00 29.98 O HETATM 2730 O HOH 144 7.620 28.377 1.415 1.00 39.72 O HETATM 2731 O HOH 145 9.891 22.388 -3.053 1.00 26.34 O HETATM 2732 O HOH 146 -9.574 19.598 -12.047 1.00 31.51 O HETATM 2733 O HOH 147 2.474 12.127 -22.097 1.00 35.80 O HETATM 2734 O HOH 148 12.580 15.740 1.261 1.00 27.71 O HETATM 2735 O HOH 149 2.432 24.752 -4.612 1.00 32.17 O HETATM 2736 O HOH 150 6.809 6.431 -19.305 1.00 35.80 O HETATM 2737 O HOH 151 3.689 26.323 -2.690 1.00 26.18 O HETATM 2738 O HOH 152 -9.134 19.211 -18.630 1.00 42.33 O HETATM 2739 O HOH 153 -9.751 -0.462 -14.224 1.00 37.46 O HETATM 2740 O HOH 154 -6.810 24.728 -9.106 1.00 30.81 O HETATM 2741 O HOH 155 10.648 16.003 -5.320 1.00 28.86 O HETATM 2742 O HOH 156 3.752 27.941 -7.208 1.00 38.26 O HETATM 2743 O HOH 157 7.195 -4.877 -16.813 1.00 36.38 O HETATM 2744 O HOH 158 -16.196 1.585 -2.092 1.00 47.47 O HETATM 2745 O HOH 159 -4.836 22.028 -15.064 1.00 27.43 O HETATM 2746 O HOH 160 -1.820 7.876 -21.855 1.00 27.60 O HETATM 2747 O HOH 161 10.066 23.916 -8.420 1.00 37.94 O HETATM 2748 O HOH 162 -0.277 23.533 -15.672 1.00 29.61 O HETATM 2749 O HOH 163 11.844 5.386 -10.049 1.00 31.93 O HETATM 2750 O HOH 164 -9.727 0.561 -16.437 1.00 40.89 O HETATM 2751 O HOH 165 -5.847 26.787 -12.718 1.00 52.47 O HETATM 2752 O HOH 166 10.465 20.237 -5.017 1.00 37.56 O HETATM 2753 O HOH 167 8.554 27.557 -8.040 1.00 41.31 O HETATM 2754 O HOH 168 0.370 20.653 3.990 1.00 33.97 O HETATM 2755 O HOH 169 5.336 18.982 -20.381 1.00 34.43 O HETATM 2756 O HOH 170 -4.265 18.405 10.026 1.00 45.46 O HETATM 2757 O HOH 171 -1.961 -6.063 -18.450 1.00 41.17 O HETATM 2758 O HOH 172 -6.781 17.561 -4.211 1.00 41.31 O HETATM 2759 O HOH 173 -6.703 28.587 -3.170 1.00 50.14 O HETATM 2760 O HOH 174 -7.442 -6.341 -11.740 1.00 38.16 O HETATM 2761 O HOH 175 8.741 8.905 2.642 1.00 35.21 O HETATM 2762 O HOH 176 6.234 -4.409 -7.463 1.00 46.57 O HETATM 2763 O HOH 177 8.799 22.059 -6.381 1.00 31.14 O HETATM 2764 O HOH 178 -8.445 -3.187 -2.902 1.00 49.54 O HETATM 2765 O HOH 179 13.091 20.294 3.005 1.00 35.83 O HETATM 2766 O HOH 180 -0.600 11.360 8.863 1.00 37.04 O HETATM 2767 O HOH 181 -5.703 15.135 13.404 1.00 44.06 O HETATM 2768 O HOH 182 -9.387 -6.294 -9.856 1.00 38.28 O HETATM 2769 O HOH 183 -8.715 23.451 7.977 1.00 44.72 O HETATM 2770 O HOH 184 -19.351 6.110 5.544 1.00 31.17 O HETATM 2771 O HOH 185 3.024 26.333 0.136 1.00 23.86 O HETATM 2772 O HOH 186 7.129 16.775 -20.553 1.00 26.72 O HETATM 2773 O HOH 187 4.905 21.740 -18.399 1.00 38.08 O HETATM 2774 O HOH 188 -17.159 7.853 6.194 1.00 30.36 O HETATM 2775 O HOH 189 14.121 17.952 1.548 1.00 35.26 O HETATM 2776 O HOH 190 7.285 12.435 -19.196 1.00 34.98 O HETATM 2777 O HOH 191 -6.424 -0.377 -16.279 1.00 35.04 O HETATM 2778 O HOH 192 14.001 27.845 -12.402 1.00 61.97 O HETATM 2779 O HOH 193 -7.715 24.120 -11.774 1.00 46.10 O HETATM 2780 O HOH 194 -13.975 1.634 -0.359 1.00 36.59 O HETATM 2781 O HOH 195 4.732 5.704 -23.392 1.00 41.41 O HETATM 2782 O HOH 196 -14.015 22.716 11.827 1.00 43.10 O HETATM 2783 O HOH 197 -7.022 23.399 -14.722 1.00 42.62 O HETATM 2784 O HOH 198 10.081 27.523 -18.110 1.00 59.86 O HETATM 2785 O HOH 199 -5.626 29.404 -11.672 1.00 48.03 O HETATM 2786 O HOH 200 13.103 21.058 -5.829 1.00 40.29 O HETATM 2787 O HOH 201 -8.349 24.526 -4.698 1.00 36.28 O HETATM 2788 O HOH 202 -13.148 23.394 -1.662 1.00 34.44 O HETATM 2789 O HOH 203 -4.352 -10.159 -2.253 1.00 52.56 O HETATM 2790 O HOH 204 -1.234 26.579 -16.782 1.00 48.63 O HETATM 2791 O HOH 205 -10.339 0.882 2.602 1.00 23.64 O HETATM 2792 O HOH 206 6.013 11.873 -21.091 1.00 53.27 O HETATM 2793 O HOH 207 -10.076 -5.112 -12.934 1.00 48.70 O HETATM 2794 O HOH 208 8.129 12.314 -23.038 1.00 52.46 O HETATM 2795 O HOH 209 -17.369 11.822 7.191 1.00 30.83 O HETATM 2796 O HOH 210 -13.541 14.951 -3.621 1.00 34.97 O HETATM 2797 O HOH 211 -14.624 9.763 -2.735 1.00 43.45 O HETATM 2798 O HOH 212 -15.126 17.801 -5.043 1.00 40.58 O HETATM 2799 O HOH 213 -16.218 18.662 6.468 1.00 38.88 O HETATM 2800 O HOH 214 -14.540 24.615 0.993 1.00 44.06 O HETATM 2801 O HOH 215 -8.437 2.021 12.831 1.00 34.36 O HETATM 2802 O HOH 216 -12.351 -6.672 -5.146 1.00 40.95 O HETATM 2803 O HOH 217 -1.838 28.313 -4.448 1.00 43.94 O HETATM 2804 O HOH 218 5.792 15.061 5.043 1.00 39.74 O HETATM 2805 O HOH 219 -0.347 12.079 -24.065 1.00 38.07 O HETATM 2806 O HOH 220 -9.403 8.855 10.925 1.00 31.11 O HETATM 2807 O HOH 221 -9.023 8.064 16.619 1.00 37.81 O HETATM 2808 O HOH 222 -9.393 1.899 9.899 1.00 38.70 O HETATM 2809 O HOH 223 12.243 14.125 -4.373 1.00 34.89 O HETATM 2810 O HOH 224 -11.962 1.785 6.570 1.00 38.47 O HETATM 2811 O HOH 225 -13.610 -3.768 6.503 1.00 55.63 O HETATM 2812 O HOH 226 1.702 30.691 -11.798 1.00 54.53 O HETATM 2813 O HOH 227 0.516 23.755 -20.348 1.00 39.59 O HETATM 2814 O HOH 228 6.842 -1.954 -20.245 1.00 50.00 O HETATM 2815 O HOH 229 -4.168 -6.116 -18.029 1.00 44.16 O HETATM 2816 O HOH 230 -18.463 8.920 3.906 1.00 38.03 O HETATM 2817 O HOH 231 -6.155 -9.459 -4.469 1.00 45.79 O HETATM 2818 O HOH 232 -19.657 10.725 5.697 1.00 32.89 O HETATM 2819 O HOH 233 -15.074 4.991 9.066 1.00 42.47 O HETATM 2820 O HOH 234 -14.319 19.597 10.047 1.00 40.40 O HETATM 2821 O HOH 235 2.877 -3.703 -18.064 1.00 42.47 O HETATM 2822 O HOH 236 -1.870 -3.630 -18.201 1.00 40.26 O HETATM 2823 O HOH 237 -3.077 8.171 9.139 1.00 41.99 O HETATM 2824 O HOH 238 7.517 23.439 -19.699 1.00 38.41 O HETATM 2825 O HOH 239 -2.522 -10.900 -12.797 1.00 43.33 O HETATM 2826 O HOH 240 -1.631 27.860 0.484 1.00 31.92 O HETATM 2827 O HOH 241 -15.595 12.854 -1.922 1.00 43.86 O HETATM 2828 O HOH 242 -14.632 11.804 11.650 1.00 74.62 O HETATM 2829 O HOH 243 -18.550 11.019 -1.974 1.00 54.34 O HETATM 2830 O HOH 244 1.601 13.206 12.040 1.00 43.78 O HETATM 2831 O HOH 245 -12.397 -4.375 -13.440 1.00 60.05 O HETATM 2832 O HOH 246 -8.336 25.430 -7.215 1.00 51.82 O HETATM 2833 O HOH 247 -12.292 -7.325 -14.375 1.00 57.43 O HETATM 2834 C A A 3 11.997 -3.181 -3.883 1.00 0.23 C HETATM 2835 O A A 3 11.982 -1.844 -3.544 1.00 -0.39 O HETATM 2836 N8 A A 3 13.103 -3.959 -4.029 1.00 -0.27 N HETATM 2837 C3' A A 3 14.416 -3.386 -3.809 1.00 0.10 C HETATM 2838 C2' A A 3 14.862 -3.802 -2.435 1.00 0.14 C HETATM 2839 C1' A A 3 16.358 -3.726 -2.607 1.00 0.20 C HETATM 2840 N9 A A 3 17.128 -2.431 -2.327 1.00 -0.19 N HETATM 2841 C4 A A 3 16.999 -1.557 -1.306 1.00 0.16 C HETATM 2842 N3 A A 3 16.076 -1.570 -0.297 1.00 -0.27 N HETATM 2843 C2 A A 3 16.168 -0.510 0.650 1.00 0.05 C HETATM 2844 N1 A A 3 17.153 0.462 0.510 1.00 -0.27 N HETATM 2845 C6 A A 3 18.013 0.433 -0.498 1.00 0.13 C HETATM 2846 C5 A A 3 17.945 -0.590 -1.406 1.00 0.10 C HETATM 2847 N7 A A 3 18.678 -0.892 -2.491 1.00 -0.30 N HETATM 2848 C8 A A 3 18.183 -2.007 -3.053 1.00 0.11 C HETATM 2849 H7 A A 3 18.570 -2.490 -3.949 1.00 0.13 H HETATM 2850 N6 A A 3 18.942 1.381 -0.555 1.00 -0.32 N HETATM 2851 H5 A A 3 19.625 1.387 -1.326 1.00 0.18 H HETATM 2852 H6 A A 3 18.979 2.110 0.172 1.00 0.18 H HETATM 2853 H4 A A 3 15.471 -0.461 1.479 1.00 0.10 H HETATM 2854 O4' A A 3 16.644 -4.197 -3.925 1.00 -0.34 O HETATM 2855 C4' A A 3 15.457 -3.949 -4.756 1.00 0.11 C HETATM 2856 C5' A A 3 15.734 -2.823 -5.759 1.00 0.07 C HETATM 2857 O5' A A 3 17.078 -2.977 -6.204 1.00 -0.39 O HETATM 2858 H19 A A 3 17.666 -2.915 -5.460 1.00 0.21 H HETATM 2859 H17 A A 3 15.608 -1.845 -5.272 1.00 0.06 H HETATM 2860 H18 A A 3 15.043 -2.900 -6.612 1.00 0.06 H HETATM 2861 H16 A A 3 15.118 -4.866 -5.261 1.00 0.06 H HETATM 2862 H12 A A 3 16.771 -4.456 -1.895 1.00 0.10 H HETATM 2863 O2' A A 3 14.426 -5.198 -2.043 1.00 -0.38 O HETATM 2864 H14 A A 3 13.482 -5.217 -1.942 1.00 0.21 H HETATM 2865 H13 A A 3 14.506 -3.092 -1.674 1.00 0.07 H HETATM 2866 H15 A A 3 14.368 -2.291 -3.901 1.00 0.06 H HETATM 2867 H8 A A 3 13.011 -4.921 -4.287 1.00 0.19 H HETATM 2868 CA A A 3 10.635 -3.860 -4.092 1.00 0.09 C HETATM 2869 N A A 3 9.825 -3.625 -2.840 1.00 0.24 N HETATM 2870 H1 A A 3 10.341 -3.954 -2.039 1.00 0.20 H HETATM 2871 H2 A A 3 8.952 -4.125 -2.906 1.00 0.20 H HETATM 2872 H3 A A 3 9.641 -2.639 -2.739 1.00 0.20 H HETATM 2873 CB A A 3 9.921 -3.381 -5.406 1.00 0.11 C HETATM 2874 OG A A 3 9.104 -4.468 -5.976 1.00 -0.38 O HETATM 2875 H11 A A 3 8.680 -4.162 -6.769 1.00 0.21 H HETATM 2876 CG2 A A 3 10.912 -2.844 -6.475 1.00 -0.03 C HETATM 2877 H20 A A 3 10.352 -2.526 -7.367 1.00 0.03 H HETATM 2878 H21 A A 3 11.620 -3.639 -6.751 1.00 0.03 H HETATM 2879 H22 A A 3 11.465 -1.987 -6.064 1.00 0.03 H HETATM 2880 H10 A A 3 9.247 -2.555 -5.133 1.00 0.07 H HETATM 2881 H9 A A 3 10.801 -4.943 -4.192 1.00 0.11 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1294 1295 1302 1303 1304 CONECT 1302 1294 CONECT 1303 1294 CONECT 1304 1294 CONECT 2834 2835 2836 2868 CONECT 2835 2834 CONECT 2836 2834 2837 2867 CONECT 2837 2836 2838 2855 2866 CONECT 2838 2837 2839 2863 2865 CONECT 2839 2838 2840 2854 2862 CONECT 2840 2839 2841 2848 CONECT 2841 2840 2842 2846 CONECT 2842 2841 2843 CONECT 2843 2842 2844 2853 CONECT 2844 2843 2845 CONECT 2845 2844 2846 2850 CONECT 2846 2841 2845 2847 CONECT 2847 2846 2848 CONECT 2848 2840 2847 2849 CONECT 2849 2848 CONECT 2850 2845 2851 2852 CONECT 2851 2850 CONECT 2852 2850 CONECT 2853 2843 CONECT 2854 2839 2855 CONECT 2855 2837 2854 2856 2861 CONECT 2856 2855 2857 2859 2860 CONECT 2857 2856 2858 CONECT 2858 2857 CONECT 2859 2856 CONECT 2860 2856 CONECT 2861 2855 CONECT 2862 2839 CONECT 2863 2838 2864 CONECT 2864 2863 CONECT 2865 2838 CONECT 2866 2837 CONECT 2867 2836 CONECT 2868 2834 2869 2873 2881 CONECT 2869 2868 2870 2871 2872 CONECT 2870 2869 CONECT 2871 2869 CONECT 2872 2869 CONECT 2873 2868 2874 2876 2880 CONECT 2874 2873 2875 CONECT 2875 2874 CONECT 2876 2873 2877 2878 2879 CONECT 2877 2876 CONECT 2878 2876 CONECT 2879 2876 CONECT 2880 2873 CONECT 2881 2868 MASTER 0 0 0 0 0 0 0 0 2879 2 56 22 END
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Related entries of code: 4rra
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4rr6
RCSB PDB
PDBbind
136aa, >4RR6_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3pd3
RCSB PDB
PDBbind
A3T
4rrg
RCSB PDB
PDBbind
A3T
4rrr
RCSB PDB
PDBbind
A3T
Entry Information
PDB ID
4rra
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
N-terminal editing domain of threonyl-tRNA synthetase from Aeropyrum pernix
Ligand Name
A3T
EC.Number
E.C.6.1.1.3
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=13.4uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Nat Commun Vol. 6: pp. 7552-7552
Ligand Properties
Formula
C
1
4
H
2
2
N
7
O
5
Molecular Weight
368.368
Exact Mass
368.168
No. of atoms
48
No. of bonds
50
Polar Surface Area
196.28
LOGP Value
-3.03 (
Computed with XLOGP3
)
-2.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1NC(=O)[C@H]([C@H](O)C)[NH3+])O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C14H21N7O5/c1-5(23)7(15)13(25)20-8-6(2-22)26-14(10(8)24)21-4-19-9-11(16)17-3-18-12(9)21/h3-8,10,14,22-24H,2,15H2,1H3,(H,20,25)(H2,16,17,18)/p+1/t5-,6-,7+,8-,10-,14-/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):
Q9YFY3
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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