Browse entries in the PDBbind-CN Database
HEADER 5F8Y_COMPLEX COMPND 5F8Y_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 149 THR THR PHE LEU ILE LYS HIS LYS ALA SER GLY LYS PHE SEQRES 2 A 149 LEU HIS PRO TYR GLY GLY SER SER ASN PRO ALA ASN ASN SEQRES 3 A 149 THR LYS LEU VAL LEU HIS SER ASP ILE HIS GLU ARG MET SEQRES 4 A 149 TYR PHE GLN PHE ASP VAL VAL ASP GLU ARG TRP GLY TYR SEQRES 5 A 149 ILE LYS HIS VAL ALA SER GLY LYS ILE VAL HIS PRO TYR SEQRES 6 A 149 GLY GLY GLN ALA ASN PRO PRO ASN GLU THR ASN MET VAL SEQRES 7 A 149 LEU HIS GLN ASP ARG HIS ASP ARG ALA LEU PHE ALA MET SEQRES 8 A 149 ASP PHE PHE ASN ASP ASN ILE MET HIS LYS GLY GLY LYS SEQRES 9 A 149 TYR ILE HIS PRO LYS GLY GLY SER PRO ASN PRO PRO ASN SEQRES 10 A 149 ASN THR GLU THR VAL ILE HIS GLY ASP LYS HIS ALA ALA SEQRES 11 A 149 MET GLU PHE ILE PHE VAL SER PRO LYS ASN LYS ASP LYS SEQRES 12 A 149 ARG VAL LEU VAL TYR ALA SEQRES 1 B 149 THR THR PHE LEU ILE LYS HIS LYS ALA SER GLY LYS PHE SEQRES 2 B 149 LEU HIS PRO TYR GLY GLY SER SER ASN PRO ALA ASN ASN SEQRES 3 B 149 THR LYS LEU VAL LEU HIS SER ASP ILE HIS GLU ARG MET SEQRES 4 B 149 TYR PHE GLN PHE ASP VAL VAL ASP GLU ARG TRP GLY TYR SEQRES 5 B 149 ILE LYS HIS VAL ALA SER GLY LYS ILE VAL HIS PRO TYR SEQRES 6 B 149 GLY GLY GLN ALA ASN PRO PRO ASN GLU THR ASN MET VAL SEQRES 7 B 149 LEU HIS GLN ASP ARG HIS ASP ARG ALA LEU PHE ALA MET SEQRES 8 B 149 ASP PHE PHE ASN ASP ASN ILE MET HIS LYS GLY GLY LYS SEQRES 9 B 149 TYR ILE HIS PRO LYS GLY GLY SER PRO ASN PRO PRO ASN SEQRES 10 B 149 ASN THR GLU THR VAL ILE HIS GLY ASP LYS HIS ALA ALA SEQRES 11 B 149 MET GLU PHE ILE PHE VAL SER PRO LYS ASN LYS ASP LYS SEQRES 12 B 149 ARG VAL LEU VAL TYR ALA HET X A 6X 26 ATOM 1 N THR A 2 21.451 -4.891 8.585 1.00 22.26 N ATOM 2 CA THR A 2 20.992 -4.108 7.393 1.00 16.35 C ATOM 3 C THR A 2 22.205 -3.825 6.522 1.00 13.04 C ATOM 4 O THR A 2 23.208 -3.318 7.006 1.00 16.49 O ATOM 5 CB THR A 2 20.334 -2.774 7.815 1.00 20.29 C ATOM 6 OG1 THR A 2 19.104 -3.046 8.509 1.00 28.32 O ATOM 7 CG2 THR A 2 20.013 -1.918 6.651 1.00 21.40 C ATOM 8 HG1 THR A 2 18.683 -2.192 8.779 1.00 0.00 H ATOM 9 HN3 THR A 2 22.152 -4.335 9.114 1.00 0.00 H ATOM 10 HN2 THR A 2 21.882 -5.783 8.268 1.00 0.00 H ATOM 11 HN1 THR A 2 20.636 -5.097 9.198 1.00 0.00 H ATOM 12 N THR A 3 22.081 -4.134 5.237 1.00 11.99 N ATOM 13 CA THR A 3 23.106 -3.803 4.262 1.00 9.35 C ATOM 14 C THR A 3 22.815 -2.415 3.687 1.00 8.31 C ATOM 15 O THR A 3 21.663 -2.037 3.432 1.00 10.91 O ATOM 16 CB THR A 3 23.123 -4.876 3.159 1.00 10.21 C ATOM 17 OG1 THR A 3 23.330 -6.161 3.762 1.00 12.09 O ATOM 18 CG2 THR A 3 24.224 -4.639 2.163 1.00 11.66 C ATOM 19 HG1 THR A 3 23.342 -6.857 3.058 1.00 0.00 H ATOM 20 H THR A 3 21.223 -4.628 4.918 1.00 0.00 H ATOM 21 N PHE A 4 23.863 -1.638 3.484 1.00 8.18 N ATOM 22 CA PHE A 4 23.706 -0.269 3.019 1.00 7.36 C ATOM 23 C PHE A 4 24.879 0.168 2.160 1.00 7.19 C ATOM 24 O PHE A 4 25.946 -0.456 2.164 1.00 7.23 O ATOM 25 CB PHE A 4 23.487 0.697 4.185 1.00 7.59 C ATOM 26 CG PHE A 4 24.576 0.680 5.212 1.00 7.06 C ATOM 27 CD1 PHE A 4 24.533 -0.220 6.274 1.00 7.18 C ATOM 28 CD2 PHE A 4 25.657 1.541 5.128 1.00 7.76 C ATOM 29 CE1 PHE A 4 25.558 -0.257 7.218 1.00 7.85 C ATOM 30 CE2 PHE A 4 26.689 1.503 6.069 1.00 8.39 C ATOM 31 CZ PHE A 4 26.638 0.599 7.113 1.00 8.20 C ATOM 32 H PHE A 4 24.818 -2.012 3.660 1.00 0.00 H ATOM 33 N LEU A 5 24.654 1.266 1.448 1.00 6.96 N ATOM 34 CA LEU A 5 25.694 1.983 0.707 1.00 7.15 C ATOM 35 C LEU A 5 26.061 3.203 1.524 1.00 6.77 C ATOM 36 O LEU A 5 25.162 3.838 2.099 1.00 7.48 O ATOM 37 CB LEU A 5 25.178 2.455 -0.660 1.00 7.80 C ATOM 38 CG LEU A 5 24.305 1.462 -1.437 1.00 8.50 C ATOM 39 CD1 LEU A 5 23.899 2.030 -2.802 1.00 8.64 C ATOM 40 CD2 LEU A 5 25.011 0.138 -1.591 1.00 9.75 C ATOM 41 H LEU A 5 23.683 1.638 1.415 1.00 0.00 H ATOM 42 N ILE A 6 27.354 3.523 1.567 1.00 6.47 N ATOM 43 CA ILE A 6 27.835 4.725 2.244 1.00 6.36 C ATOM 44 C ILE A 6 27.997 5.792 1.203 1.00 6.40 C ATOM 45 O ILE A 6 28.927 5.723 0.365 1.00 8.05 O ATOM 46 CB ILE A 6 29.166 4.470 2.983 1.00 6.55 C ATOM 47 CG1 ILE A 6 28.925 3.425 4.104 1.00 7.06 C ATOM 48 CG2 ILE A 6 29.755 5.768 3.549 1.00 7.79 C ATOM 49 CD1 ILE A 6 30.146 2.993 4.857 1.00 7.65 C ATOM 50 H ILE A 6 28.043 2.897 1.104 1.00 0.00 H ATOM 51 N LYS A 7 27.095 6.752 1.232 1.00 6.75 N ATOM 52 CA LYS A 7 26.979 7.744 0.162 1.00 7.48 C ATOM 53 C LYS A 7 27.514 9.099 0.652 1.00 7.71 C ATOM 54 O LYS A 7 27.034 9.669 1.639 1.00 8.26 O ATOM 55 CB LYS A 7 25.534 7.822 -0.339 1.00 7.85 C ATOM 56 CG LYS A 7 25.335 8.764 -1.534 1.00 9.16 C ATOM 57 CD LYS A 7 23.815 8.870 -1.735 1.00 14.61 C ATOM 58 CE LYS A 7 23.403 9.511 -3.019 1.00 18.88 C ATOM 59 NZ LYS A 7 21.914 9.666 -2.977 1.00 17.36 N ATOM 60 HZ1 LYS A 7 21.472 8.730 -2.876 1.00 0.00 H ATOM 61 HZ2 LYS A 7 21.652 10.264 -2.168 1.00 0.00 H ATOM 62 HZ3 LYS A 7 21.588 10.111 -3.859 1.00 0.00 H ATOM 63 H LYS A 7 26.444 6.807 2.041 1.00 0.00 H ATOM 64 N HIS A 8 28.535 9.596 -0.039 1.00 7.56 N ATOM 65 CA HIS A 8 29.023 10.940 0.173 1.00 7.90 C ATOM 66 C HIS A 8 27.933 11.926 -0.223 1.00 8.29 C ATOM 67 O HIS A 8 27.497 11.958 -1.388 1.00 10.57 O ATOM 68 CB HIS A 8 30.303 11.138 -0.652 1.00 8.61 C ATOM 69 CG HIS A 8 30.970 12.452 -0.438 1.00 9.41 C ATOM 70 ND1 HIS A 8 31.124 13.383 -1.453 1.00 10.92 N ATOM 71 CD2 HIS A 8 31.546 12.990 0.666 1.00 9.79 C ATOM 72 CE1 HIS A 8 31.750 14.439 -0.970 1.00 9.78 C ATOM 73 NE2 HIS A 8 32.010 14.223 0.311 1.00 9.26 N ATOM 74 H HIS A 8 28.997 8.999 -0.754 1.00 0.00 H ATOM 75 N LYS A 9 27.466 12.708 0.735 1.00 8.40 N ATOM 76 CA LYS A 9 26.219 13.447 0.560 1.00 10.20 C ATOM 77 C LYS A 9 26.353 14.510 -0.523 1.00 11.56 C ATOM 78 O LYS A 9 25.436 14.681 -1.349 1.00 13.53 O ATOM 79 CB LYS A 9 25.758 14.065 1.891 1.00 11.14 C ATOM 80 CG LYS A 9 24.340 14.611 1.901 1.00 15.26 C ATOM 81 CD LYS A 9 24.022 15.149 3.309 1.00 18.87 C ATOM 82 CE LYS A 9 22.594 15.570 3.486 1.00 21.89 C ATOM 83 NZ LYS A 9 22.510 16.155 4.868 1.00 20.26 N ATOM 84 HZ1 LYS A 9 22.781 15.433 5.566 1.00 0.00 H ATOM 85 HZ2 LYS A 9 23.156 16.967 4.939 1.00 0.00 H ATOM 86 HZ3 LYS A 9 21.535 16.468 5.052 1.00 0.00 H ATOM 87 H LYS A 9 27.994 12.798 1.626 1.00 0.00 H ATOM 88 N ALA A 10 27.467 15.228 -0.524 1.00 12.25 N ATOM 89 CA ALA A 10 27.631 16.355 -1.444 1.00 12.39 C ATOM 90 C ALA A 10 27.783 15.923 -2.915 1.00 12.98 C ATOM 91 O ALA A 10 27.333 16.642 -3.816 1.00 16.29 O ATOM 92 CB ALA A 10 28.809 17.222 -1.024 1.00 14.68 C ATOM 93 H ALA A 10 28.234 14.988 0.136 1.00 0.00 H ATOM 94 N SER A 11 28.398 14.755 -3.138 1.00 10.91 N ATOM 95 CA SER A 11 28.698 14.295 -4.508 1.00 10.52 C ATOM 96 C SER A 11 27.818 13.177 -5.031 1.00 10.24 C ATOM 97 O SER A 11 27.691 12.990 -6.260 1.00 12.30 O ATOM 98 CB SER A 11 30.157 13.853 -4.610 1.00 10.15 C ATOM 99 OG SER A 11 30.321 12.612 -3.942 1.00 9.79 O ATOM 100 HG SER A 11 30.072 12.716 -2.989 1.00 0.00 H ATOM 101 H SER A 11 28.670 14.160 -2.330 1.00 0.00 H ATOM 102 N GLY A 12 27.258 12.383 -4.133 1.00 9.57 N ATOM 103 CA GLY A 12 26.550 11.208 -4.530 1.00 11.64 C ATOM 104 C GLY A 12 27.413 10.020 -4.864 1.00 10.87 C ATOM 105 O GLY A 12 26.873 8.994 -5.292 1.00 12.66 O ATOM 106 H GLY A 12 27.335 12.618 -3.123 1.00 0.00 H ATOM 107 N LYS A 13 28.733 10.131 -4.681 1.00 7.42 N ATOM 108 CA LYS A 13 29.588 8.999 -4.842 1.00 8.14 C ATOM 109 C LYS A 13 29.554 8.168 -3.570 1.00 8.13 C ATOM 110 O LYS A 13 29.045 8.596 -2.540 1.00 11.05 O ATOM 111 CB LYS A 13 31.003 9.425 -5.192 1.00 9.59 C ATOM 112 CG LYS A 13 31.117 10.124 -6.535 1.00 10.04 C ATOM 113 CD LYS A 13 32.571 10.363 -6.927 1.00 10.46 C ATOM 114 CE LYS A 13 32.718 10.967 -8.321 1.00 12.05 C ATOM 115 NZ LYS A 13 32.333 12.401 -8.402 1.00 13.63 N ATOM 116 HZ1 LYS A 13 31.336 12.507 -8.124 1.00 0.00 H ATOM 117 HZ2 LYS A 13 32.934 12.957 -7.761 1.00 0.00 H ATOM 118 HZ3 LYS A 13 32.460 12.738 -9.378 1.00 0.00 H ATOM 119 H LYS A 13 29.141 11.051 -4.419 1.00 0.00 H ATOM 120 N PHE A 14 30.089 6.964 -3.662 1.00 7.95 N ATOM 121 CA PHE A 14 29.986 5.966 -2.587 1.00 6.90 C ATOM 122 C PHE A 14 31.367 5.529 -2.128 1.00 6.83 C ATOM 123 O PHE A 14 32.340 5.555 -2.931 1.00 6.65 O ATOM 124 CB PHE A 14 29.232 4.725 -3.070 1.00 7.58 C ATOM 125 CG PHE A 14 27.847 5.029 -3.581 1.00 8.39 C ATOM 126 CD1 PHE A 14 26.768 5.129 -2.711 1.00 7.77 C ATOM 127 CD2 PHE A 14 27.648 5.278 -4.923 1.00 9.12 C ATOM 128 CE1 PHE A 14 25.510 5.438 -3.175 1.00 8.93 C ATOM 129 CE2 PHE A 14 26.390 5.606 -5.392 1.00 9.14 C ATOM 130 CZ PHE A 14 25.319 5.694 -4.508 1.00 9.88 C ATOM 131 H PHE A 14 30.604 6.712 -4.530 1.00 0.00 H ATOM 132 N LEU A 15 31.435 5.019 -0.881 1.00 6.77 N ATOM 133 CA LEU A 15 32.668 4.414 -0.375 1.00 6.60 C ATOM 134 C LEU A 15 32.903 3.048 -1.011 1.00 6.75 C ATOM 135 O LEU A 15 32.008 2.234 -1.026 1.00 7.64 O ATOM 136 CB LEU A 15 32.601 4.253 1.151 1.00 7.07 C ATOM 137 CG LEU A 15 33.942 4.049 1.839 1.00 7.94 C ATOM 138 CD1 LEU A 15 34.778 5.313 1.783 1.00 10.56 C ATOM 139 CD2 LEU A 15 33.741 3.633 3.276 1.00 8.95 C ATOM 140 H LEU A 15 30.596 5.056 -0.268 1.00 0.00 H ATOM 141 N HIS A 16 34.105 2.835 -1.556 1.00 7.01 N ATOM 142 CA HIS A 16 34.518 1.581 -2.206 1.00 7.51 C ATOM 143 C HIS A 16 35.918 1.193 -1.733 1.00 7.81 C ATOM 144 O HIS A 16 36.759 2.080 -1.491 1.00 8.52 O ATOM 145 CB HIS A 16 34.762 1.801 -3.718 1.00 7.35 C ATOM 146 CG HIS A 16 33.526 1.922 -4.562 1.00 7.00 C ATOM 147 ND1 HIS A 16 33.275 1.076 -5.615 1.00 7.67 N ATOM 148 CD2 HIS A 16 32.508 2.811 -4.548 1.00 7.79 C ATOM 149 CE1 HIS A 16 32.142 1.426 -6.200 1.00 8.41 C ATOM 150 NE2 HIS A 16 31.672 2.493 -5.588 1.00 8.85 N ATOM 151 H HIS A 16 34.797 3.610 -1.518 1.00 0.00 H ATOM 152 N PRO A 17 36.216 -0.116 -1.681 1.00 7.42 N ATOM 153 CA PRO A 17 37.631 -0.464 -1.647 1.00 7.79 C ATOM 154 C PRO A 17 38.263 -0.115 -3.016 1.00 8.32 C ATOM 155 O PRO A 17 37.648 -0.371 -4.066 1.00 9.17 O ATOM 156 CB PRO A 17 37.615 -1.975 -1.478 1.00 8.95 C ATOM 157 CG PRO A 17 36.338 -2.420 -2.129 1.00 9.54 C ATOM 158 CD PRO A 17 35.354 -1.280 -1.931 1.00 8.96 C ATOM 159 N TYR A 18 39.449 0.458 -3.014 1.00 8.00 N ATOM 160 CA TYR A 18 40.123 0.789 -4.267 1.00 8.50 C ATOM 161 C TYR A 18 40.286 -0.471 -5.083 1.00 8.19 C ATOM 162 O TYR A 18 40.804 -1.453 -4.591 1.00 9.84 O ATOM 163 CB TYR A 18 41.463 1.447 -4.003 1.00 8.68 C ATOM 164 CG TYR A 18 42.224 1.799 -5.245 1.00 10.07 C ATOM 165 CD1 TYR A 18 41.761 2.784 -6.114 1.00 11.26 C ATOM 166 CD2 TYR A 18 43.396 1.155 -5.558 1.00 14.90 C ATOM 167 CE1 TYR A 18 42.439 3.096 -7.271 1.00 13.82 C ATOM 168 CE2 TYR A 18 44.086 1.470 -6.712 1.00 17.88 C ATOM 169 CZ TYR A 18 43.603 2.458 -7.554 1.00 16.77 C ATOM 170 OH TYR A 18 44.298 2.776 -8.703 1.00 21.48 O ATOM 171 HH TYR A 18 44.363 1.975 -9.281 1.00 0.00 H ATOM 172 H TYR A 18 39.912 0.678 -2.109 1.00 0.00 H ATOM 173 N GLY A 19 39.832 -0.440 -6.330 1.00 8.34 N ATOM 174 CA GLY A 19 39.869 -1.646 -7.160 1.00 10.36 C ATOM 175 C GLY A 19 38.629 -2.506 -7.160 1.00 9.07 C ATOM 176 O GLY A 19 38.477 -3.362 -8.053 1.00 10.70 O ATOM 177 H GLY A 19 39.448 0.445 -6.719 1.00 0.00 H ATOM 178 N GLY A 20 37.754 -2.306 -6.181 1.00 8.38 N ATOM 179 CA GLY A 20 36.481 -2.975 -6.170 1.00 8.82 C ATOM 180 C GLY A 20 36.489 -4.463 -6.055 1.00 9.00 C ATOM 181 O GLY A 20 35.560 -5.095 -6.536 1.00 10.16 O ATOM 182 H GLY A 20 37.994 -1.653 -5.408 1.00 0.00 H ATOM 183 N SER A 21 37.474 -5.024 -5.349 1.00 8.95 N ATOM 184 CA SER A 21 37.551 -6.479 -5.172 1.00 8.37 C ATOM 185 C SER A 21 36.520 -7.029 -4.189 1.00 7.05 C ATOM 186 O SER A 21 36.197 -6.348 -3.196 1.00 8.87 O ATOM 187 CB SER A 21 38.947 -6.877 -4.697 1.00 9.11 C ATOM 188 OG SER A 21 39.091 -8.305 -4.577 1.00 10.71 O ATOM 189 HG SER A 21 38.932 -8.727 -5.459 1.00 0.00 H ATOM 190 H SER A 21 38.200 -4.418 -4.916 1.00 0.00 H ATOM 191 N SER A 22 36.084 -8.268 -4.437 1.00 3.82 N ATOM 192 CA SER A 22 35.308 -9.026 -3.466 1.00 4.30 C ATOM 193 C SER A 22 36.126 -9.390 -2.230 1.00 4.97 C ATOM 194 O SER A 22 35.562 -9.646 -1.177 1.00 4.14 O ATOM 195 CB SER A 22 34.760 -10.312 -4.104 1.00 4.49 C ATOM 196 OG SER A 22 33.814 -9.992 -5.075 1.00 5.92 O ATOM 197 HG SER A 22 33.070 -9.491 -4.656 1.00 0.00 H ATOM 198 H SER A 22 36.307 -8.705 -5.354 1.00 0.00 H ATOM 199 N ASN A 23 37.453 -9.423 -2.380 1.00 7.77 N ATOM 200 CA ASN A 23 38.367 -9.747 -1.277 1.00 9.41 C ATOM 201 C ASN A 23 39.607 -8.866 -1.316 1.00 10.03 C ATOM 202 O ASN A 23 40.695 -9.293 -1.682 1.00 11.28 O ATOM 203 CB ASN A 23 38.729 -11.248 -1.257 1.00 12.03 C ATOM 204 CG ASN A 23 39.435 -11.624 0.012 1.00 14.69 C ATOM 205 OD1 ASN A 23 39.363 -10.883 0.988 1.00 16.34 O ATOM 206 ND2 ASN A 23 40.121 -12.767 0.015 1.00 18.33 N ATOM 207 HD22 ASN A 23 40.150 -13.359 -0.840 1.00 0.00 H ATOM 208 HD21 ASN A 23 40.628 -13.067 0.872 1.00 0.00 H ATOM 209 H ASN A 23 37.855 -9.211 -3.315 1.00 0.00 H ATOM 210 N PRO A 24 39.430 -7.581 -0.963 1.00 10.06 N ATOM 211 CA PRO A 24 40.573 -6.682 -0.949 1.00 9.46 C ATOM 212 C PRO A 24 41.625 -7.141 0.074 1.00 9.45 C ATOM 213 O PRO A 24 41.275 -7.645 1.132 1.00 9.62 O ATOM 214 CB PRO A 24 39.958 -5.330 -0.575 1.00 9.64 C ATOM 215 CG PRO A 24 38.492 -5.478 -0.729 1.00 9.90 C ATOM 216 CD PRO A 24 38.200 -6.930 -0.493 1.00 9.83 C ATOM 217 N ALA A 25 42.907 -7.015 -0.270 1.00 9.25 N ATOM 218 CA ALA A 25 43.960 -7.337 0.687 1.00 9.49 C ATOM 219 C ALA A 25 43.872 -6.409 1.904 1.00 8.01 C ATOM 220 O ALA A 25 43.424 -5.255 1.797 1.00 8.73 O ATOM 221 CB ALA A 25 45.331 -7.222 0.050 1.00 12.01 C ATOM 222 H ALA A 25 43.157 -6.686 -1.224 1.00 0.00 H ATOM 223 N ASN A 26 44.374 -6.872 3.031 1.00 8.51 N ATOM 224 CA ASN A 26 44.614 -5.959 4.166 1.00 9.12 C ATOM 225 C ASN A 26 45.324 -4.680 3.748 1.00 8.92 C ATOM 226 O ASN A 26 46.286 -4.705 2.936 1.00 9.89 O ATOM 227 CB ASN A 26 45.369 -6.644 5.293 1.00 10.01 C ATOM 228 CG ASN A 26 44.513 -7.631 6.051 1.00 10.96 C ATOM 229 OD1 ASN A 26 43.322 -7.403 6.298 1.00 8.84 O ATOM 230 ND2 ASN A 26 45.116 -8.744 6.444 1.00 15.50 N ATOM 231 HD22 ASN A 26 46.119 -8.900 6.217 1.00 0.00 H ATOM 232 HD21 ASN A 26 44.586 -9.461 6.979 1.00 0.00 H ATOM 233 H ASN A 26 44.602 -7.883 3.121 1.00 0.00 H ATOM 234 N ASN A 27 44.840 -3.568 4.284 1.00 8.43 N ATOM 235 CA ASN A 27 45.373 -2.247 4.032 1.00 7.97 C ATOM 236 C ASN A 27 45.047 -1.686 2.644 1.00 8.89 C ATOM 237 O ASN A 27 45.594 -0.648 2.252 1.00 10.80 O ATOM 238 CB ASN A 27 46.864 -2.165 4.364 1.00 8.55 C ATOM 239 CG ASN A 27 47.105 -2.412 5.844 1.00 10.07 C ATOM 240 OD1 ASN A 27 46.362 -1.892 6.692 1.00 10.98 O ATOM 241 ND2 ASN A 27 48.070 -3.248 6.161 1.00 13.95 N ATOM 242 HD22 ASN A 27 48.668 -3.659 5.416 1.00 0.00 H ATOM 243 HD21 ASN A 27 48.235 -3.498 7.157 1.00 0.00 H ATOM 244 H ASN A 27 44.026 -3.651 4.926 1.00 0.00 H ATOM 245 N THR A 28 44.086 -2.285 1.943 1.00 8.93 N ATOM 246 CA THR A 28 43.569 -1.642 0.719 1.00 9.54 C ATOM 247 C THR A 28 42.879 -0.321 1.087 1.00 8.25 C ATOM 248 O THR A 28 42.075 -0.294 2.035 1.00 8.06 O ATOM 249 CB THR A 28 42.560 -2.533 0.014 1.00 9.91 C ATOM 250 OG1 THR A 28 43.221 -3.754 -0.392 1.00 10.26 O ATOM 251 CG2 THR A 28 41.966 -1.811 -1.250 1.00 8.91 C ATOM 252 HG1 THR A 28 43.577 -4.217 0.407 1.00 0.00 H ATOM 253 H THR A 28 43.702 -3.200 2.256 1.00 0.00 H ATOM 254 N LYS A 29 43.163 0.741 0.341 1.00 7.72 N ATOM 255 CA LYS A 29 42.583 2.036 0.609 1.00 8.49 C ATOM 256 C LYS A 29 41.094 2.050 0.293 1.00 8.13 C ATOM 257 O LYS A 29 40.616 1.381 -0.642 1.00 9.24 O ATOM 258 CB LYS A 29 43.251 3.146 -0.213 1.00 9.32 C ATOM 259 CG LYS A 29 44.663 3.464 0.226 1.00 11.83 C ATOM 260 CD LYS A 29 45.346 4.456 -0.682 1.00 16.12 C ATOM 261 CE LYS A 29 46.788 4.675 -0.204 1.00 23.57 C ATOM 262 NZ LYS A 29 47.362 5.753 -1.007 1.00 31.81 N ATOM 263 HZ1 LYS A 29 47.350 5.480 -2.011 1.00 0.00 H ATOM 264 HZ2 LYS A 29 46.801 6.619 -0.875 1.00 0.00 H ATOM 265 HZ3 LYS A 29 48.342 5.925 -0.705 1.00 0.00 H ATOM 266 H LYS A 29 43.821 0.637 -0.458 1.00 0.00 H ATOM 267 N LEU A 30 40.368 2.850 1.077 1.00 7.66 N ATOM 268 CA LEU A 30 38.965 3.158 0.775 1.00 6.98 C ATOM 269 C LEU A 30 38.884 4.490 0.051 1.00 7.23 C ATOM 270 O LEU A 30 39.445 5.493 0.488 1.00 9.06 O ATOM 271 CB LEU A 30 38.132 3.183 2.060 1.00 6.80 C ATOM 272 CG LEU A 30 37.982 1.811 2.657 1.00 7.60 C ATOM 273 CD1 LEU A 30 37.839 1.871 4.165 1.00 7.81 C ATOM 274 CD2 LEU A 30 36.832 1.035 1.971 1.00 8.21 C ATOM 275 H LEU A 30 40.807 3.266 1.923 1.00 0.00 H ATOM 276 N VAL A 31 38.151 4.494 -1.054 1.00 7.26 N ATOM 277 CA VAL A 31 38.040 5.640 -1.939 1.00 6.81 C ATOM 278 C VAL A 31 36.564 5.936 -2.200 1.00 6.56 C ATOM 279 O VAL A 31 35.689 5.169 -1.802 1.00 7.71 O ATOM 280 CB VAL A 31 38.743 5.362 -3.299 1.00 7.51 C ATOM 281 CG1 VAL A 31 40.216 5.097 -3.128 1.00 8.09 C ATOM 282 CG2 VAL A 31 38.058 4.189 -4.073 1.00 8.54 C ATOM 283 H VAL A 31 37.627 3.630 -1.300 1.00 0.00 H ATOM 284 N LEU A 32 36.295 7.059 -2.849 1.00 6.48 N ATOM 285 CA LEU A 32 34.961 7.374 -3.333 1.00 7.41 C ATOM 286 C LEU A 32 34.877 7.028 -4.800 1.00 7.78 C ATOM 287 O LEU A 32 35.825 7.292 -5.564 1.00 8.09 O ATOM 288 CB LEU A 32 34.646 8.847 -3.122 1.00 9.24 C ATOM 289 CG LEU A 32 34.572 9.258 -1.658 1.00 9.91 C ATOM 290 CD1 LEU A 32 34.163 10.724 -1.588 1.00 12.74 C ATOM 291 CD2 LEU A 32 33.581 8.407 -0.862 1.00 10.39 C ATOM 292 H LEU A 32 37.064 7.738 -3.018 1.00 0.00 H ATOM 293 N HIS A 33 33.726 6.491 -5.210 1.00 7.82 N ATOM 294 CA HIS A 33 33.518 6.100 -6.631 1.00 7.69 C ATOM 295 C HIS A 33 32.017 6.068 -6.920 1.00 7.81 C ATOM 296 O HIS A 33 31.222 5.701 -6.071 1.00 8.16 O ATOM 297 CB HIS A 33 34.177 4.750 -6.926 1.00 8.37 C ATOM 298 CG HIS A 33 34.376 4.452 -8.381 1.00 8.56 C ATOM 299 ND1 HIS A 33 33.344 4.122 -9.238 1.00 8.57 N ATOM 300 CD2 HIS A 33 35.510 4.400 -9.122 1.00 8.38 C ATOM 301 CE1 HIS A 33 33.834 3.896 -10.446 1.00 8.33 C ATOM 302 NE2 HIS A 33 35.144 4.039 -10.392 1.00 9.70 N ATOM 303 H HIS A 33 32.959 6.343 -4.523 1.00 0.00 H ATOM 304 N SER A 34 31.641 6.497 -8.120 1.00 8.63 N ATOM 305 CA SER A 34 30.243 6.641 -8.505 1.00 8.92 C ATOM 306 C SER A 34 29.500 5.290 -8.716 1.00 8.72 C ATOM 307 O SER A 34 28.259 5.245 -8.640 1.00 10.18 O ATOM 308 CB SER A 34 30.181 7.573 -9.754 1.00 12.03 C ATOM 309 OG SER A 34 30.928 7.022 -10.785 1.00 19.53 O ATOM 310 HG SER A 34 31.869 6.925 -10.494 1.00 0.00 H ATOM 311 H SER A 34 32.376 6.740 -8.814 1.00 0.00 H ATOM 312 N ASP A 35 30.229 4.192 -8.921 1.00 8.73 N ATOM 313 CA ASP A 35 29.606 2.881 -9.258 1.00 8.96 C ATOM 314 C ASP A 35 28.901 2.275 -8.046 1.00 9.31 C ATOM 315 O ASP A 35 29.290 2.520 -6.900 1.00 8.80 O ATOM 316 CB ASP A 35 30.605 1.842 -9.738 1.00 8.83 C ATOM 317 CG ASP A 35 31.142 2.079 -11.152 1.00 9.94 C ATOM 318 OD1 ASP A 35 30.748 3.028 -11.862 1.00 10.87 O ATOM 319 OD2 ASP A 35 32.010 1.280 -11.561 1.00 11.85 O ATOM 320 H ASP A 35 31.264 4.253 -8.843 1.00 0.00 H ATOM 321 N ILE A 36 27.867 1.489 -8.327 1.00 8.47 N ATOM 322 CA ILE A 36 27.176 0.707 -7.310 1.00 8.51 C ATOM 323 C ILE A 36 27.308 -0.742 -7.732 1.00 8.01 C ATOM 324 O ILE A 36 27.041 -1.077 -8.885 1.00 10.27 O ATOM 325 CB ILE A 36 25.682 1.074 -7.178 1.00 9.74 C ATOM 326 CG1 ILE A 36 25.519 2.536 -6.770 1.00 9.51 C ATOM 327 CG2 ILE A 36 24.986 0.081 -6.227 1.00 9.70 C ATOM 328 CD1 ILE A 36 24.064 3.000 -6.821 1.00 13.47 C ATOM 329 H ILE A 36 27.538 1.430 -9.312 1.00 0.00 H ATOM 330 N HIS A 37 27.716 -1.596 -6.792 1.00 7.35 N ATOM 331 CA HIS A 37 27.789 -3.043 -7.011 1.00 8.16 C ATOM 332 C HIS A 37 28.024 -3.729 -5.685 1.00 8.41 C ATOM 333 O HIS A 37 28.249 -3.038 -4.672 1.00 7.96 O ATOM 334 CB HIS A 37 28.915 -3.413 -7.984 1.00 8.77 C ATOM 335 CG HIS A 37 30.254 -2.823 -7.660 1.00 8.22 C ATOM 336 ND1 HIS A 37 30.990 -3.171 -6.543 1.00 9.09 N ATOM 337 CD2 HIS A 37 31.020 -1.955 -8.354 1.00 8.75 C ATOM 338 CE1 HIS A 37 32.126 -2.501 -6.540 1.00 8.51 C ATOM 339 NE2 HIS A 37 32.188 -1.788 -7.650 1.00 7.25 N ATOM 340 H HIS A 37 27.994 -1.219 -5.864 1.00 0.00 H ATOM 341 N GLU A 38 28.017 -5.070 -5.644 1.00 9.26 N ATOM 342 CA GLU A 38 28.014 -5.735 -4.352 1.00 9.81 C ATOM 343 C GLU A 38 29.307 -5.556 -3.573 1.00 8.76 C ATOM 344 O GLU A 38 29.343 -5.851 -2.388 1.00 9.72 O ATOM 345 CB GLU A 38 27.812 -7.254 -4.498 1.00 13.26 C ATOM 346 CG GLU A 38 26.461 -7.663 -4.939 1.00 16.30 C ATOM 347 CD GLU A 38 26.315 -9.176 -4.915 1.00 18.02 C ATOM 348 OE1 GLU A 38 25.254 -9.618 -4.470 1.00 18.99 O ATOM 349 OE2 GLU A 38 27.267 -9.904 -5.288 1.00 19.79 O ATOM 350 H GLU A 38 28.014 -5.625 -6.523 1.00 0.00 H ATOM 351 N ARG A 39 30.402 -5.190 -4.243 1.00 7.78 N ATOM 352 CA ARG A 39 31.685 -5.025 -3.564 1.00 8.46 C ATOM 353 C ARG A 39 31.854 -3.642 -2.939 1.00 7.69 C ATOM 354 O ARG A 39 32.934 -3.296 -2.437 1.00 9.01 O ATOM 355 CB ARG A 39 32.837 -5.398 -4.497 1.00 9.81 C ATOM 356 CG ARG A 39 32.715 -6.834 -5.076 1.00 10.74 C ATOM 357 CD ARG A 39 32.165 -6.856 -6.512 1.00 11.36 C ATOM 358 NE ARG A 39 33.051 -6.087 -7.373 1.00 12.38 N ATOM 359 CZ ARG A 39 32.741 -5.507 -8.517 1.00 10.54 C ATOM 360 NH1 ARG A 39 31.538 -5.668 -9.104 1.00 11.28 N ATOM 361 NH2 ARG A 39 33.693 -4.802 -9.099 1.00 13.06 N ATOM 362 HE ARG A 39 34.035 -5.983 -7.052 1.00 0.00 H ATOM 363 HH12 ARG A 39 31.332 -5.194 -10.006 1.00 0.00 H ATOM 364 HH11 ARG A 39 30.816 -6.267 -8.655 1.00 0.00 H ATOM 365 HH22 ARG A 39 33.506 -4.322 -10.003 1.00 0.00 H ATOM 366 HH21 ARG A 39 34.630 -4.726 -8.654 1.00 0.00 H ATOM 367 H ARG A 39 30.341 -5.019 -5.267 1.00 0.00 H ATOM 368 N MET A 40 30.784 -2.857 -2.922 1.00 7.32 N ATOM 369 CA MET A 40 30.767 -1.599 -2.161 1.00 6.19 C ATOM 370 C MET A 40 29.619 -1.534 -1.129 1.00 6.83 C ATOM 371 O MET A 40 29.328 -0.474 -0.534 1.00 7.06 O ATOM 372 CB MET A 40 30.839 -0.388 -3.077 1.00 6.69 C ATOM 373 CG MET A 40 29.858 -0.356 -4.230 1.00 7.09 C ATOM 374 SD MET A 40 28.135 -0.165 -3.760 1.00 8.21 S ATOM 375 CE MET A 40 28.093 1.631 -3.568 1.00 8.21 C ATOM 376 H MET A 40 29.939 -3.138 -3.459 1.00 0.00 H ATOM 377 N TYR A 41 29.055 -2.704 -0.841 1.00 6.20 N ATOM 378 CA TYR A 41 28.043 -2.850 0.216 1.00 6.12 C ATOM 379 C TYR A 41 28.720 -2.946 1.583 1.00 6.70 C ATOM 380 O TYR A 41 29.724 -3.622 1.726 1.00 7.41 O ATOM 381 CB TYR A 41 27.266 -4.135 0.037 1.00 6.60 C ATOM 382 CG TYR A 41 26.279 -4.181 -1.129 1.00 7.45 C ATOM 383 CD1 TYR A 41 26.192 -3.152 -2.058 1.00 7.89 C ATOM 384 CD2 TYR A 41 25.473 -5.285 -1.304 1.00 8.97 C ATOM 385 CE1 TYR A 41 25.286 -3.196 -3.115 1.00 8.63 C ATOM 386 CE2 TYR A 41 24.555 -5.358 -2.355 1.00 8.77 C ATOM 387 CZ TYR A 41 24.475 -4.311 -3.276 1.00 9.26 C ATOM 388 OH TYR A 41 23.567 -4.356 -4.322 1.00 11.92 O ATOM 389 HH TYR A 41 23.653 -3.534 -4.868 1.00 0.00 H ATOM 390 H TYR A 41 29.340 -3.545 -1.382 1.00 0.00 H ATOM 391 N PHE A 42 28.116 -2.300 2.588 1.00 6.80 N ATOM 392 CA PHE A 42 28.583 -2.361 3.966 1.00 6.90 C ATOM 393 C PHE A 42 27.472 -2.800 4.897 1.00 7.62 C ATOM 394 O PHE A 42 26.274 -2.711 4.562 1.00 7.68 O ATOM 395 CB PHE A 42 29.167 -1.003 4.366 1.00 6.73 C ATOM 396 CG PHE A 42 30.477 -0.698 3.658 1.00 6.37 C ATOM 397 CD1 PHE A 42 30.474 -0.051 2.418 1.00 6.38 C ATOM 398 CD2 PHE A 42 31.697 -1.061 4.212 1.00 5.97 C ATOM 399 CE1 PHE A 42 31.651 0.221 1.770 1.00 7.09 C ATOM 400 CE2 PHE A 42 32.894 -0.789 3.547 1.00 6.64 C ATOM 401 CZ PHE A 42 32.872 -0.158 2.325 1.00 7.58 C ATOM 402 H PHE A 42 27.274 -1.728 2.375 1.00 0.00 H ATOM 403 N GLN A 43 27.885 -3.264 6.065 1.00 6.72 N ATOM 404 CA GLN A 43 27.010 -3.518 7.203 1.00 7.68 C ATOM 405 C GLN A 43 27.697 -2.871 8.429 1.00 7.69 C ATOM 406 O GLN A 43 28.894 -2.604 8.416 1.00 9.59 O ATOM 407 CB GLN A 43 26.828 -5.026 7.360 1.00 9.66 C ATOM 408 CG GLN A 43 25.818 -5.591 6.376 1.00 11.50 C ATOM 409 CD GLN A 43 25.801 -7.103 6.221 1.00 14.42 C ATOM 410 OE1 GLN A 43 24.988 -7.655 5.426 1.00 22.02 O ATOM 411 NE2 GLN A 43 26.658 -7.771 6.918 1.00 13.20 N ATOM 412 HE22 GLN A 43 27.308 -7.273 7.560 1.00 0.00 H ATOM 413 HE21 GLN A 43 26.699 -8.807 6.838 1.00 0.00 H ATOM 414 H GLN A 43 28.900 -3.460 6.179 1.00 0.00 H ATOM 415 N PHE A 44 26.945 -2.674 9.498 1.00 7.36 N ATOM 416 CA PHE A 44 27.485 -2.119 10.720 1.00 7.39 C ATOM 417 C PHE A 44 27.252 -3.108 11.841 1.00 7.68 C ATOM 418 O PHE A 44 26.102 -3.485 12.124 1.00 9.86 O ATOM 419 CB PHE A 44 26.843 -0.777 11.038 1.00 8.32 C ATOM 420 CG PHE A 44 27.497 -0.050 12.174 1.00 8.45 C ATOM 421 CD1 PHE A 44 28.766 0.531 12.006 1.00 7.65 C ATOM 422 CD2 PHE A 44 26.837 0.139 13.371 1.00 9.38 C ATOM 423 CE1 PHE A 44 29.353 1.239 13.036 1.00 8.11 C ATOM 424 CE2 PHE A 44 27.436 0.863 14.397 1.00 9.47 C ATOM 425 CZ PHE A 44 28.677 1.413 14.231 1.00 7.86 C ATOM 426 H PHE A 44 25.937 -2.925 9.460 1.00 0.00 H ATOM 427 N ASP A 45 28.350 -3.507 12.470 1.00 8.00 N ATOM 428 CA ASP A 45 28.322 -4.478 13.546 1.00 8.86 C ATOM 429 C ASP A 45 28.489 -3.726 14.871 1.00 8.24 C ATOM 430 O ASP A 45 29.576 -3.275 15.191 1.00 7.49 O ATOM 431 CB ASP A 45 29.416 -5.527 13.381 1.00 11.08 C ATOM 432 CG ASP A 45 29.145 -6.490 12.216 1.00 14.32 C ATOM 433 OD1 ASP A 45 28.010 -6.559 11.754 1.00 18.36 O ATOM 434 OD2 ASP A 45 30.059 -7.207 11.769 1.00 17.12 O ATOM 435 H ASP A 45 29.266 -3.108 12.180 1.00 0.00 H ATOM 436 N VAL A 46 27.418 -3.657 15.649 1.00 8.47 N ATOM 437 CA VAL A 46 27.422 -2.869 16.883 1.00 8.96 C ATOM 438 C VAL A 46 28.259 -3.585 17.933 1.00 9.06 C ATOM 439 O VAL A 46 28.123 -4.827 18.112 1.00 9.79 O ATOM 440 CB VAL A 46 26.007 -2.675 17.412 1.00 9.91 C ATOM 441 CG1 VAL A 46 26.022 -2.055 18.812 1.00 12.36 C ATOM 442 CG2 VAL A 46 25.179 -1.808 16.481 1.00 10.14 C ATOM 443 H VAL A 46 26.557 -4.173 15.377 1.00 0.00 H ATOM 444 N VAL A 47 29.141 -2.831 18.576 1.00 7.76 N ATOM 445 CA VAL A 47 29.973 -3.345 19.661 1.00 9.27 C ATOM 446 C VAL A 47 29.526 -2.775 21.003 1.00 11.14 C ATOM 447 O VAL A 47 29.400 -3.529 21.997 1.00 14.04 O ATOM 448 CB VAL A 47 31.446 -3.052 19.385 1.00 10.37 C ATOM 449 CG1 VAL A 47 32.341 -3.347 20.608 1.00 12.99 C ATOM 450 CG2 VAL A 47 31.884 -3.866 18.173 1.00 11.07 C ATOM 451 H VAL A 47 29.244 -1.835 18.297 1.00 0.00 H ATOM 452 N ASP A 48 29.319 -1.461 21.055 1.00 10.25 N ATOM 453 CA ASP A 48 28.939 -0.812 22.302 1.00 11.83 C ATOM 454 C ASP A 48 28.133 0.436 22.014 1.00 9.69 C ATOM 455 O ASP A 48 28.701 1.513 21.745 1.00 9.77 O ATOM 456 CB ASP A 48 30.168 -0.475 23.121 1.00 15.67 C ATOM 457 CG ASP A 48 29.833 0.269 24.423 1.00 20.66 C ATOM 458 OD1 ASP A 48 28.699 0.158 24.919 1.00 25.58 O ATOM 459 OD2 ASP A 48 30.718 0.962 24.947 1.00 31.13 O ATOM 460 H ASP A 48 29.430 -0.890 20.193 1.00 0.00 H ATOM 461 N GLU A 49 26.811 0.253 22.039 1.00 10.04 N ATOM 462 CA GLU A 49 25.843 1.323 21.830 1.00 10.52 C ATOM 463 C GLU A 49 26.050 1.946 20.443 1.00 9.45 C ATOM 464 O GLU A 49 25.791 1.255 19.429 1.00 10.66 O ATOM 465 CB GLU A 49 25.871 2.312 23.016 1.00 11.14 C ATOM 466 CG GLU A 49 24.735 3.354 23.013 1.00 10.99 C ATOM 467 CD GLU A 49 25.231 4.791 22.866 1.00 9.45 C ATOM 468 OE1 GLU A 49 26.457 5.017 22.683 1.00 10.05 O ATOM 469 OE2 GLU A 49 24.414 5.717 22.974 1.00 10.62 O ATOM 470 H GLU A 49 26.451 -0.706 22.218 1.00 0.00 H ATOM 471 N ARG A 50 26.527 3.197 20.369 1.00 7.53 N ATOM 472 CA ARG A 50 26.752 3.825 19.074 1.00 7.93 C ATOM 473 C ARG A 50 27.977 3.267 18.340 1.00 7.30 C ATOM 474 O ARG A 50 28.095 3.472 17.136 1.00 8.58 O ATOM 475 CB ARG A 50 26.927 5.345 19.221 1.00 8.37 C ATOM 476 CG ARG A 50 28.243 5.775 19.878 1.00 9.46 C ATOM 477 CD ARG A 50 28.209 7.235 20.321 1.00 8.94 C ATOM 478 NE ARG A 50 27.141 7.351 21.312 1.00 9.53 N ATOM 479 CZ ARG A 50 26.445 8.437 21.587 1.00 9.77 C ATOM 480 NH1 ARG A 50 26.758 9.608 21.059 1.00 11.45 N ATOM 481 NH2 ARG A 50 25.431 8.342 22.457 1.00 10.31 N ATOM 482 HE ARG A 50 26.907 6.494 21.853 1.00 0.00 H ATOM 483 HH12 ARG A 50 26.194 10.450 21.291 1.00 0.00 H ATOM 484 HH11 ARG A 50 27.568 9.687 20.412 1.00 0.00 H ATOM 485 HH22 ARG A 50 24.866 9.183 22.691 1.00 0.00 H ATOM 486 HH21 ARG A 50 25.208 7.427 22.898 1.00 0.00 H ATOM 487 H ARG A 50 26.738 3.722 21.242 1.00 0.00 H ATOM 488 N TRP A 51 28.920 2.669 19.075 1.00 6.97 N ATOM 489 CA TRP A 51 30.206 2.283 18.516 1.00 6.98 C ATOM 490 C TRP A 51 30.151 0.885 17.901 1.00 6.81 C ATOM 491 O TRP A 51 29.611 -0.035 18.509 1.00 7.36 O ATOM 492 CB TRP A 51 31.321 2.331 19.592 1.00 8.35 C ATOM 493 CG TRP A 51 31.448 3.689 20.188 1.00 8.34 C ATOM 494 CD1 TRP A 51 31.081 4.072 21.438 1.00 10.03 C ATOM 495 CD2 TRP A 51 31.915 4.865 19.531 1.00 7.50 C ATOM 496 NE1 TRP A 51 31.303 5.424 21.617 1.00 10.19 N ATOM 497 CE2 TRP A 51 31.799 5.941 20.454 1.00 8.85 C ATOM 498 CE3 TRP A 51 32.434 5.114 18.268 1.00 7.00 C ATOM 499 CZ2 TRP A 51 32.153 7.248 20.124 1.00 9.84 C ATOM 500 CZ3 TRP A 51 32.774 6.407 17.925 1.00 8.59 C ATOM 501 CH2 TRP A 51 32.652 7.461 18.850 1.00 9.16 C ATOM 502 HE1 TRP A 51 31.123 5.958 22.491 1.00 0.00 H ATOM 503 H TRP A 51 28.728 2.474 20.078 1.00 0.00 H ATOM 504 N GLY A 52 30.768 0.737 16.733 1.00 5.83 N ATOM 505 CA GLY A 52 30.804 -0.542 16.054 1.00 5.95 C ATOM 506 C GLY A 52 31.781 -0.576 14.912 1.00 5.96 C ATOM 507 O GLY A 52 32.534 0.368 14.692 1.00 6.54 O ATOM 508 H GLY A 52 31.235 1.558 16.297 1.00 0.00 H ATOM 509 N TYR A 53 31.726 -1.683 14.187 1.00 6.36 N ATOM 510 CA TYR A 53 32.625 -1.899 13.056 1.00 6.42 C ATOM 511 C TYR A 53 31.902 -1.696 11.734 1.00 6.78 C ATOM 512 O TYR A 53 30.809 -2.211 11.552 1.00 7.34 O ATOM 513 CB TYR A 53 33.159 -3.311 13.095 1.00 6.95 C ATOM 514 CG TYR A 53 33.884 -3.712 14.358 1.00 7.46 C ATOM 515 CD1 TYR A 53 34.855 -2.910 14.912 1.00 8.64 C ATOM 516 CD2 TYR A 53 33.610 -4.926 14.973 1.00 7.85 C ATOM 517 CE1 TYR A 53 35.549 -3.280 16.053 1.00 7.60 C ATOM 518 CE2 TYR A 53 34.296 -5.308 16.123 1.00 10.16 C ATOM 519 CZ TYR A 53 35.281 -4.483 16.642 1.00 8.33 C ATOM 520 OH TYR A 53 35.974 -4.856 17.792 1.00 12.10 O ATOM 521 HH TYR A 53 36.635 -4.155 18.019 1.00 0.00 H ATOM 522 H TYR A 53 31.027 -2.415 14.428 1.00 0.00 H ATOM 523 N ILE A 54 32.540 -0.976 10.813 1.00 6.80 N ATOM 524 CA ILE A 54 31.982 -0.779 9.475 1.00 5.81 C ATOM 525 C ILE A 54 32.548 -1.883 8.600 1.00 6.24 C ATOM 526 O ILE A 54 33.735 -1.877 8.269 1.00 6.34 O ATOM 527 CB ILE A 54 32.375 0.610 8.903 1.00 6.42 C ATOM 528 CG1 ILE A 54 32.004 1.731 9.878 1.00 6.69 C ATOM 529 CG2 ILE A 54 31.683 0.788 7.556 1.00 8.09 C ATOM 530 CD1 ILE A 54 32.515 3.083 9.471 1.00 6.99 C ATOM 531 H ILE A 54 33.456 -0.544 11.050 1.00 0.00 H ATOM 532 N LYS A 55 31.686 -2.841 8.257 1.00 6.64 N ATOM 533 CA LYS A 55 32.116 -4.071 7.617 1.00 6.61 C ATOM 534 C LYS A 55 31.833 -4.115 6.145 1.00 6.35 C ATOM 535 O LYS A 55 30.677 -3.985 5.721 1.00 6.96 O ATOM 536 CB LYS A 55 31.420 -5.244 8.306 1.00 7.27 C ATOM 537 CG LYS A 55 31.858 -6.599 7.750 1.00 8.45 C ATOM 538 CD LYS A 55 31.423 -7.772 8.632 1.00 10.68 C ATOM 539 CE LYS A 55 29.946 -7.961 8.617 1.00 14.28 C ATOM 540 NZ LYS A 55 29.517 -8.955 9.643 1.00 19.05 N ATOM 541 HZ1 LYS A 55 29.970 -9.870 9.448 1.00 0.00 H ATOM 542 HZ2 LYS A 55 29.799 -8.621 10.587 1.00 0.00 H ATOM 543 HZ3 LYS A 55 28.483 -9.064 9.607 1.00 0.00 H ATOM 544 H LYS A 55 30.674 -2.703 8.454 1.00 0.00 H ATOM 545 N HIS A 56 32.873 -4.349 5.349 1.00 7.25 N ATOM 546 CA HIS A 56 32.754 -4.598 3.919 1.00 6.84 C ATOM 547 C HIS A 56 32.119 -5.971 3.727 1.00 7.86 C ATOM 548 O HIS A 56 32.684 -6.975 4.120 1.00 8.21 O ATOM 549 CB HIS A 56 34.163 -4.559 3.337 1.00 7.25 C ATOM 550 CG HIS A 56 34.205 -4.744 1.869 1.00 7.51 C ATOM 551 ND1 HIS A 56 34.818 -5.829 1.288 1.00 8.31 N ATOM 552 CD2 HIS A 56 33.664 -4.020 0.859 1.00 7.85 C ATOM 553 CE1 HIS A 56 34.708 -5.736 -0.024 1.00 8.07 C ATOM 554 NE2 HIS A 56 34.031 -4.636 -0.308 1.00 8.36 N ATOM 555 H HIS A 56 33.823 -4.354 5.771 1.00 0.00 H ATOM 556 N VAL A 57 30.907 -6.022 3.176 1.00 7.10 N ATOM 557 CA VAL A 57 30.149 -7.274 3.197 1.00 8.07 C ATOM 558 C VAL A 57 30.854 -8.375 2.408 1.00 7.19 C ATOM 559 O VAL A 57 30.903 -9.514 2.846 1.00 8.43 O ATOM 560 CB VAL A 57 28.704 -7.077 2.659 1.00 8.55 C ATOM 561 CG1 VAL A 57 27.967 -8.426 2.510 1.00 9.47 C ATOM 562 CG2 VAL A 57 27.952 -6.116 3.570 1.00 9.87 C ATOM 563 H VAL A 57 30.500 -5.174 2.732 1.00 0.00 H ATOM 564 N ALA A 58 31.369 -8.047 1.232 1.00 7.65 N ATOM 565 CA ALA A 58 31.943 -9.078 0.355 1.00 8.48 C ATOM 566 C ALA A 58 33.130 -9.818 0.987 1.00 9.36 C ATOM 567 O ALA A 58 33.260 -11.055 0.810 1.00 10.24 O ATOM 568 CB ALA A 58 32.332 -8.485 -0.999 1.00 8.98 C ATOM 569 H ALA A 58 31.367 -7.053 0.927 1.00 0.00 H ATOM 570 N SER A 59 33.951 -9.090 1.751 1.00 8.51 N ATOM 571 CA SER A 59 35.183 -9.681 2.330 1.00 9.82 C ATOM 572 C SER A 59 35.116 -9.949 3.827 1.00 9.46 C ATOM 573 O SER A 59 35.885 -10.773 4.334 1.00 10.99 O ATOM 574 CB SER A 59 36.390 -8.777 2.063 1.00 10.22 C ATOM 575 OG SER A 59 36.335 -7.579 2.874 1.00 8.04 O ATOM 576 HG SER A 59 35.509 -7.076 2.662 1.00 0.00 H ATOM 577 H SER A 59 33.723 -8.094 1.943 1.00 0.00 H ATOM 578 N GLY A 60 34.214 -9.251 4.537 1.00 9.52 N ATOM 579 CA GLY A 60 34.163 -9.314 5.984 1.00 8.37 C ATOM 580 C GLY A 60 35.260 -8.477 6.675 1.00 8.57 C ATOM 581 O GLY A 60 35.307 -8.441 7.895 1.00 9.85 O ATOM 582 H GLY A 60 33.533 -8.648 4.034 1.00 0.00 H ATOM 583 N LYS A 61 36.144 -7.837 5.919 1.00 7.97 N ATOM 584 CA LYS A 61 37.112 -6.917 6.501 1.00 7.23 C ATOM 585 C LYS A 61 36.361 -5.645 6.914 1.00 6.91 C ATOM 586 O LYS A 61 35.249 -5.366 6.417 1.00 8.36 O ATOM 587 CB LYS A 61 38.259 -6.601 5.556 1.00 7.31 C ATOM 588 CG LYS A 61 39.095 -7.824 5.210 1.00 8.41 C ATOM 589 CD LYS A 61 40.326 -7.418 4.410 1.00 9.30 C ATOM 590 CE LYS A 61 41.248 -8.595 4.120 1.00 11.09 C ATOM 591 NZ LYS A 61 40.645 -9.525 3.138 1.00 10.16 N ATOM 592 HZ1 LYS A 61 39.749 -9.893 3.516 1.00 0.00 H ATOM 593 HZ2 LYS A 61 40.466 -9.019 2.248 1.00 0.00 H ATOM 594 HZ3 LYS A 61 41.299 -10.315 2.963 1.00 0.00 H ATOM 595 H LYS A 61 36.145 -7.996 4.891 1.00 0.00 H ATOM 596 N ILE A 62 36.962 -4.891 7.824 1.00 6.72 N ATOM 597 CA ILE A 62 36.340 -3.679 8.335 1.00 6.50 C ATOM 598 C ILE A 62 37.199 -2.439 8.095 1.00 5.62 C ATOM 599 O ILE A 62 38.394 -2.540 7.790 1.00 6.19 O ATOM 600 CB ILE A 62 35.924 -3.813 9.826 1.00 7.13 C ATOM 601 CG1 ILE A 62 37.152 -3.962 10.741 1.00 6.78 C ATOM 602 CG2 ILE A 62 35.021 -5.018 10.038 1.00 7.43 C ATOM 603 CD1 ILE A 62 36.798 -3.805 12.209 1.00 7.33 C ATOM 604 H ILE A 62 37.898 -5.172 8.180 1.00 0.00 H ATOM 605 N VAL A 63 36.585 -1.280 8.272 1.00 5.77 N ATOM 606 CA VAL A 63 37.262 0.020 8.090 1.00 6.11 C ATOM 607 C VAL A 63 38.188 0.299 9.296 1.00 5.67 C ATOM 608 O VAL A 63 37.776 0.146 10.445 1.00 6.22 O ATOM 609 CB VAL A 63 36.254 1.146 7.948 1.00 5.93 C ATOM 610 CG1 VAL A 63 36.946 2.483 7.762 1.00 6.56 C ATOM 611 CG2 VAL A 63 35.291 0.867 6.771 1.00 6.18 C ATOM 612 H VAL A 63 35.583 -1.285 8.551 1.00 0.00 H ATOM 613 N HIS A 64 39.437 0.659 9.001 1.00 6.02 N ATOM 614 CA HIS A 64 40.457 1.085 9.961 1.00 6.51 C ATOM 615 C HIS A 64 41.123 2.393 9.499 1.00 6.63 C ATOM 616 O HIS A 64 41.307 2.585 8.299 1.00 7.30 O ATOM 617 CB HIS A 64 41.617 0.088 10.031 1.00 6.86 C ATOM 618 CG HIS A 64 41.266 -1.211 10.703 1.00 6.63 C ATOM 619 ND1 HIS A 64 41.923 -1.674 11.819 1.00 7.61 N ATOM 620 CD2 HIS A 64 40.342 -2.150 10.395 1.00 7.55 C ATOM 621 CE1 HIS A 64 41.432 -2.852 12.159 1.00 7.01 C ATOM 622 NE2 HIS A 64 40.476 -3.172 11.300 1.00 6.59 N ATOM 623 H HIS A 64 39.712 0.635 7.998 1.00 0.00 H ATOM 624 N PRO A 65 41.587 3.213 10.453 1.00 7.20 N ATOM 625 CA PRO A 65 42.665 4.135 10.109 1.00 7.97 C ATOM 626 C PRO A 65 43.956 3.346 9.848 1.00 7.61 C ATOM 627 O PRO A 65 44.228 2.377 10.554 1.00 7.40 O ATOM 628 CB PRO A 65 42.845 4.976 11.372 1.00 8.50 C ATOM 629 CG PRO A 65 42.352 4.116 12.468 1.00 8.72 C ATOM 630 CD PRO A 65 41.368 3.135 11.916 1.00 7.42 C ATOM 631 N TYR A 66 44.701 3.707 8.813 1.00 7.47 N ATOM 632 CA TYR A 66 45.915 2.985 8.455 1.00 8.19 C ATOM 633 C TYR A 66 46.938 3.059 9.587 1.00 7.61 C ATOM 634 O TYR A 66 47.397 4.141 9.938 1.00 8.67 O ATOM 635 CB TYR A 66 46.516 3.582 7.180 1.00 8.76 C ATOM 636 CG TYR A 66 47.768 2.891 6.662 1.00 9.77 C ATOM 637 CD1 TYR A 66 47.762 1.534 6.345 1.00 9.97 C ATOM 638 CD2 TYR A 66 48.969 3.590 6.526 1.00 13.24 C ATOM 639 CE1 TYR A 66 48.908 0.886 5.870 1.00 12.15 C ATOM 640 CE2 TYR A 66 50.113 2.965 6.033 1.00 14.96 C ATOM 641 CZ TYR A 66 50.080 1.613 5.731 1.00 14.02 C ATOM 642 OH TYR A 66 51.211 0.989 5.262 1.00 19.22 O ATOM 643 HH TYR A 66 51.933 1.068 5.934 1.00 0.00 H ATOM 644 H TYR A 66 44.412 4.527 8.242 1.00 0.00 H ATOM 645 N GLY A 67 47.304 1.905 10.129 1.00 7.44 N ATOM 646 CA GLY A 67 48.148 1.853 11.301 1.00 8.28 C ATOM 647 C GLY A 67 47.414 1.635 12.633 1.00 8.90 C ATOM 648 O GLY A 67 48.070 1.363 13.658 1.00 9.44 O ATOM 649 H GLY A 67 46.976 1.016 9.700 1.00 0.00 H ATOM 650 N GLY A 68 46.073 1.697 12.641 1.00 6.86 N ATOM 651 CA GLY A 68 45.295 1.332 13.817 1.00 6.68 C ATOM 652 C GLY A 68 45.447 2.216 15.047 1.00 6.46 C ATOM 653 O GLY A 68 45.494 1.710 16.182 1.00 8.76 O ATOM 654 H GLY A 68 45.576 2.014 11.784 1.00 0.00 H ATOM 655 N GLN A 69 45.489 3.519 14.825 1.00 5.98 N ATOM 656 CA GLN A 69 45.630 4.475 15.912 1.00 7.30 C ATOM 657 C GLN A 69 44.308 4.678 16.646 1.00 7.35 C ATOM 658 O GLN A 69 43.215 4.684 16.039 1.00 8.48 O ATOM 659 CB GLN A 69 46.091 5.839 15.401 1.00 8.37 C ATOM 660 CG GLN A 69 47.408 5.859 14.625 1.00 8.49 C ATOM 661 CD GLN A 69 47.234 5.470 13.175 1.00 8.81 C ATOM 662 OE1 GLN A 69 46.111 5.392 12.678 1.00 9.93 O ATOM 663 NE2 GLN A 69 48.346 5.225 12.490 1.00 11.32 N ATOM 664 HE22 GLN A 69 49.272 5.305 12.956 1.00 0.00 H ATOM 665 HE21 GLN A 69 48.290 4.953 11.488 1.00 0.00 H ATOM 666 H GLN A 69 45.419 3.869 13.848 1.00 0.00 H ATOM 667 N ALA A 70 44.398 4.904 17.945 1.00 7.37 N ATOM 668 CA ALA A 70 43.222 5.319 18.722 1.00 7.84 C ATOM 669 C ALA A 70 42.879 6.781 18.411 1.00 7.61 C ATOM 670 O ALA A 70 41.711 7.185 18.440 1.00 9.77 O ATOM 671 CB ALA A 70 43.493 5.134 20.198 1.00 9.63 C ATOM 672 H ALA A 70 45.314 4.787 18.424 1.00 0.00 H ATOM 673 N ASN A 71 43.902 7.571 18.109 1.00 7.59 N ATOM 674 CA ASN A 71 43.738 9.008 17.806 1.00 8.65 C ATOM 675 C ASN A 71 44.493 9.332 16.511 1.00 9.48 C ATOM 676 O ASN A 71 45.528 10.041 16.510 1.00 10.40 O ATOM 677 CB ASN A 71 44.229 9.863 18.985 1.00 10.51 C ATOM 678 CG ASN A 71 43.488 9.545 20.255 1.00 12.33 C ATOM 679 OD1 ASN A 71 43.898 8.673 21.042 1.00 13.56 O ATOM 680 ND2 ASN A 71 42.355 10.219 20.449 1.00 13.69 N ATOM 681 HD22 ASN A 71 42.054 10.939 19.762 1.00 0.00 H ATOM 682 HD21 ASN A 71 41.771 10.025 21.288 1.00 0.00 H ATOM 683 H ASN A 71 44.858 7.162 18.085 1.00 0.00 H ATOM 684 N PRO A 72 43.994 8.788 15.384 1.00 9.05 N ATOM 685 CA PRO A 72 44.727 8.973 14.125 1.00 8.81 C ATOM 686 C PRO A 72 44.871 10.463 13.819 1.00 9.19 C ATOM 687 O PRO A 72 43.920 11.221 13.974 1.00 10.77 O ATOM 688 CB PRO A 72 43.846 8.274 13.090 1.00 8.70 C ATOM 689 CG PRO A 72 42.485 8.193 13.743 1.00 8.04 C ATOM 690 CD PRO A 72 42.736 8.062 15.198 1.00 8.05 C ATOM 691 N PRO A 73 46.064 10.889 13.374 1.00 9.01 N ATOM 692 CA PRO A 73 46.194 12.287 12.908 1.00 9.50 C ATOM 693 C PRO A 73 45.367 12.607 11.690 1.00 9.07 C ATOM 694 O PRO A 73 45.036 11.731 10.901 1.00 8.96 O ATOM 695 CB PRO A 73 47.659 12.380 12.511 1.00 11.59 C ATOM 696 CG PRO A 73 48.355 11.400 13.413 1.00 11.56 C ATOM 697 CD PRO A 73 47.378 10.242 13.514 1.00 11.36 C ATOM 698 N ASN A 74 45.040 13.886 11.531 1.00 9.30 N ATOM 699 CA ASN A 74 44.524 14.359 10.276 1.00 9.52 C ATOM 700 C ASN A 74 45.346 13.824 9.092 1.00 10.17 C ATOM 701 O ASN A 74 46.576 13.776 9.123 1.00 10.29 O ATOM 702 CB ASN A 74 44.500 15.873 10.230 1.00 10.68 C ATOM 703 CG ASN A 74 43.483 16.512 11.170 1.00 10.50 C ATOM 704 OD1 ASN A 74 42.521 15.889 11.649 1.00 10.92 O ATOM 705 ND2 ASN A 74 43.688 17.818 11.428 1.00 14.64 N ATOM 706 HD22 ASN A 74 44.504 18.309 11.010 1.00 0.00 H ATOM 707 HD21 ASN A 74 43.030 18.336 12.045 1.00 0.00 H ATOM 708 H ASN A 74 45.159 14.550 12.322 1.00 0.00 H ATOM 709 N GLU A 75 44.607 13.424 8.053 1.00 9.95 N ATOM 710 CA GLU A 75 45.097 12.881 6.792 1.00 10.82 C ATOM 711 C GLU A 75 45.506 11.402 6.849 1.00 10.91 C ATOM 712 O GLU A 75 46.002 10.860 5.864 1.00 13.91 O ATOM 713 CB GLU A 75 46.197 13.729 6.158 1.00 11.33 C ATOM 714 CG GLU A 75 45.820 15.175 5.960 1.00 12.98 C ATOM 715 CD GLU A 75 44.713 15.347 4.933 1.00 13.56 C ATOM 716 OE1 GLU A 75 44.747 14.652 3.897 1.00 17.90 O ATOM 717 OE2 GLU A 75 43.804 16.160 5.165 1.00 16.52 O ATOM 718 H GLU A 75 43.575 13.509 8.155 1.00 0.00 H ATOM 719 N THR A 76 45.286 10.745 7.989 1.00 9.14 N ATOM 720 CA THR A 76 45.491 9.324 8.038 1.00 8.04 C ATOM 721 C THR A 76 44.569 8.641 7.044 1.00 8.28 C ATOM 722 O THR A 76 43.361 8.876 7.075 1.00 8.42 O ATOM 723 CB THR A 76 45.233 8.774 9.462 1.00 8.73 C ATOM 724 OG1 THR A 76 46.153 9.398 10.392 1.00 9.97 O ATOM 725 CG2 THR A 76 45.441 7.279 9.502 1.00 8.65 C ATOM 726 HG1 THR A 76 46.014 10.378 10.385 1.00 0.00 H ATOM 727 H THR A 76 44.968 11.258 8.836 1.00 0.00 H ATOM 728 N ASN A 77 45.108 7.758 6.200 1.00 8.06 N ATOM 729 CA ASN A 77 44.258 7.051 5.224 1.00 8.12 C ATOM 730 C ASN A 77 43.288 6.068 5.865 1.00 7.11 C ATOM 731 O ASN A 77 43.642 5.387 6.832 1.00 8.19 O ATOM 732 CB ASN A 77 45.109 6.260 4.227 1.00 8.71 C ATOM 733 CG ASN A 77 45.701 7.142 3.163 1.00 10.61 C ATOM 734 OD1 ASN A 77 46.742 7.765 3.363 1.00 14.44 O ATOM 735 ND2 ASN A 77 45.006 7.252 2.053 1.00 10.89 N ATOM 736 HD22 ASN A 77 44.131 6.703 1.931 1.00 0.00 H ATOM 737 HD21 ASN A 77 45.331 7.888 1.297 1.00 0.00 H ATOM 738 H ASN A 77 46.130 7.568 6.231 1.00 0.00 H ATOM 739 N MET A 78 42.086 5.963 5.310 1.00 7.32 N ATOM 740 CA MET A 78 41.184 4.892 5.652 1.00 7.30 C ATOM 741 C MET A 78 41.472 3.679 4.774 1.00 6.96 C ATOM 742 O MET A 78 41.664 3.787 3.553 1.00 8.02 O ATOM 743 CB MET A 78 39.702 5.290 5.426 1.00 7.43 C ATOM 744 CG MET A 78 39.265 6.552 6.083 1.00 8.66 C ATOM 745 SD MET A 78 39.804 6.808 7.782 1.00 12.16 S ATOM 746 CE MET A 78 38.989 5.449 8.542 1.00 10.31 C ATOM 747 H MET A 78 41.788 6.672 4.610 1.00 0.00 H ATOM 748 N VAL A 79 41.467 2.517 5.397 1.00 7.15 N ATOM 749 CA VAL A 79 41.734 1.271 4.712 1.00 6.96 C ATOM 750 C VAL A 79 40.817 0.199 5.249 1.00 6.26 C ATOM 751 O VAL A 79 40.130 0.404 6.252 1.00 6.01 O ATOM 752 CB VAL A 79 43.184 0.806 4.945 1.00 7.51 C ATOM 753 CG1 VAL A 79 44.158 1.786 4.407 1.00 7.51 C ATOM 754 CG2 VAL A 79 43.464 0.476 6.419 1.00 7.19 C ATOM 755 H VAL A 79 41.264 2.495 6.417 1.00 0.00 H ATOM 756 N LEU A 80 40.762 -0.917 4.546 1.00 6.11 N ATOM 757 CA LEU A 80 40.152 -2.152 5.080 1.00 6.76 C ATOM 758 C LEU A 80 41.193 -3.064 5.722 1.00 7.34 C ATOM 759 O LEU A 80 42.323 -3.169 5.246 1.00 8.32 O ATOM 760 CB LEU A 80 39.431 -2.936 3.945 1.00 7.24 C ATOM 761 CG LEU A 80 38.142 -2.322 3.420 1.00 7.14 C ATOM 762 CD1 LEU A 80 37.627 -3.135 2.250 1.00 8.87 C ATOM 763 CD2 LEU A 80 37.064 -2.167 4.460 1.00 7.35 C ATOM 764 H LEU A 80 41.161 -0.927 3.586 1.00 0.00 H ATOM 765 N HIS A 81 40.793 -3.763 6.782 1.00 7.40 N ATOM 766 CA HIS A 81 41.670 -4.706 7.461 1.00 7.14 C ATOM 767 C HIS A 81 40.798 -5.716 8.222 1.00 7.04 C ATOM 768 O HIS A 81 39.730 -5.382 8.732 1.00 6.43 O ATOM 769 CB HIS A 81 42.601 -3.956 8.426 1.00 7.81 C ATOM 770 CG HIS A 81 43.828 -4.731 8.814 1.00 8.50 C ATOM 771 ND1 HIS A 81 43.787 -5.771 9.703 1.00 9.62 N ATOM 772 CD2 HIS A 81 45.122 -4.635 8.416 1.00 9.02 C ATOM 773 CE1 HIS A 81 44.991 -6.294 9.842 1.00 10.12 C ATOM 774 NE2 HIS A 81 45.828 -5.598 9.101 1.00 10.50 N ATOM 775 H HIS A 81 39.824 -3.631 7.136 1.00 0.00 H ATOM 776 N GLN A 82 41.274 -6.949 8.272 1.00 7.35 N ATOM 777 CA GLN A 82 40.590 -8.053 8.958 1.00 8.05 C ATOM 778 C GLN A 82 40.457 -7.889 10.484 1.00 7.98 C ATOM 779 O GLN A 82 39.504 -8.404 11.091 1.00 8.77 O ATOM 780 CB GLN A 82 41.305 -9.335 8.653 1.00 9.32 C ATOM 781 CG GLN A 82 42.668 -9.458 9.285 1.00 10.31 C ATOM 782 CD GLN A 82 43.334 -10.787 8.956 1.00 11.60 C ATOM 783 OE1 GLN A 82 43.782 -10.998 7.847 1.00 13.89 O ATOM 784 NE2 GLN A 82 43.459 -11.643 9.942 1.00 13.15 N ATOM 785 HE22 GLN A 82 43.060 -11.422 10.876 1.00 0.00 H ATOM 786 HE21 GLN A 82 43.957 -12.543 9.789 1.00 0.00 H ATOM 787 H GLN A 82 42.180 -7.147 7.801 1.00 0.00 H ATOM 788 N ASP A 83 41.401 -7.168 11.114 1.00 7.19 N ATOM 789 CA ASP A 83 41.441 -7.130 12.560 1.00 7.02 C ATOM 790 C ASP A 83 40.216 -6.392 13.142 1.00 7.56 C ATOM 791 O ASP A 83 39.658 -5.463 12.520 1.00 8.36 O ATOM 792 CB ASP A 83 42.729 -6.465 13.089 1.00 7.27 C ATOM 793 CG ASP A 83 43.976 -7.321 12.928 1.00 7.89 C ATOM 794 OD1 ASP A 83 43.907 -8.499 12.455 1.00 8.66 O ATOM 795 OD2 ASP A 83 45.059 -6.814 13.294 1.00 8.87 O ATOM 796 H ASP A 83 42.104 -6.637 10.561 1.00 0.00 H ATOM 797 N ARG A 84 39.848 -6.790 14.342 1.00 7.73 N ATOM 798 CA ARG A 84 38.766 -6.169 15.125 1.00 9.10 C ATOM 799 C ARG A 84 39.326 -5.677 16.429 1.00 8.44 C ATOM 800 O ARG A 84 39.784 -6.490 17.229 1.00 10.72 O ATOM 801 CB ARG A 84 37.708 -7.179 15.467 1.00 12.31 C ATOM 802 CG ARG A 84 36.529 -7.133 14.563 1.00 17.59 C ATOM 803 CD ARG A 84 36.832 -7.483 13.171 1.00 12.52 C ATOM 804 NE ARG A 84 35.602 -7.795 12.440 1.00 11.49 N ATOM 805 CZ ARG A 84 35.581 -8.205 11.176 1.00 11.06 C ATOM 806 NH1 ARG A 84 36.717 -8.292 10.478 1.00 12.34 N ATOM 807 NH2 ARG A 84 34.418 -8.513 10.597 1.00 13.67 N ATOM 808 HE ARG A 84 34.695 -7.690 12.938 1.00 0.00 H ATOM 809 HH12 ARG A 84 36.696 -8.613 9.489 1.00 0.00 H ATOM 810 HH11 ARG A 84 37.622 -8.038 10.924 1.00 0.00 H ATOM 811 HH22 ARG A 84 34.398 -8.834 9.608 1.00 0.00 H ATOM 812 HH21 ARG A 84 33.532 -8.432 11.135 1.00 0.00 H ATOM 813 H ARG A 84 40.354 -7.595 14.764 1.00 0.00 H ATOM 814 N HIS A 85 39.304 -4.355 16.640 1.00 6.53 N ATOM 815 CA HIS A 85 39.773 -3.803 17.884 1.00 7.28 C ATOM 816 C HIS A 85 39.212 -2.413 18.065 1.00 7.36 C ATOM 817 O HIS A 85 38.522 -1.904 17.180 1.00 8.34 O ATOM 818 CB HIS A 85 41.304 -3.843 17.999 1.00 7.24 C ATOM 819 CG HIS A 85 42.024 -3.224 16.828 1.00 7.25 C ATOM 820 ND1 HIS A 85 41.787 -1.941 16.410 1.00 8.61 N ATOM 821 CD2 HIS A 85 42.978 -3.709 16.002 1.00 9.03 C ATOM 822 CE1 HIS A 85 42.554 -1.661 15.370 1.00 8.61 C ATOM 823 NE2 HIS A 85 43.257 -2.734 15.082 1.00 9.04 N ATOM 824 H HIS A 85 38.945 -3.721 15.898 1.00 0.00 H ATOM 825 N ASP A 86 39.492 -1.823 19.230 1.00 7.09 N ATOM 826 CA ASP A 86 38.859 -0.583 19.585 1.00 7.60 C ATOM 827 C ASP A 86 39.308 0.603 18.720 1.00 8.37 C ATOM 828 O ASP A 86 38.671 1.659 18.772 1.00 9.50 O ATOM 829 CB ASP A 86 39.096 -0.234 21.054 1.00 10.49 C ATOM 830 CG ASP A 86 38.346 -1.112 22.032 1.00 14.39 C ATOM 831 OD1 ASP A 86 37.498 -1.950 21.646 1.00 18.64 O ATOM 832 OD2 ASP A 86 38.612 -0.914 23.252 1.00 25.02 O ATOM 833 H ASP A 86 40.171 -2.263 19.883 1.00 0.00 H ATOM 834 N ARG A 87 40.416 0.465 17.984 1.00 6.95 N ATOM 835 CA ARG A 87 40.866 1.519 17.095 1.00 7.26 C ATOM 836 C ARG A 87 40.184 1.488 15.711 1.00 6.98 C ATOM 837 O ARG A 87 40.391 2.378 14.889 1.00 9.03 O ATOM 838 CB ARG A 87 42.376 1.554 16.984 1.00 7.91 C ATOM 839 CG ARG A 87 43.100 1.678 18.348 1.00 9.15 C ATOM 840 CD ARG A 87 43.573 0.333 18.884 1.00 10.83 C ATOM 841 NE ARG A 87 44.600 -0.262 18.013 1.00 10.31 N ATOM 842 CZ ARG A 87 45.034 -1.531 18.059 1.00 11.49 C ATOM 843 NH1 ARG A 87 44.566 -2.380 18.953 1.00 11.34 N ATOM 844 NH2 ARG A 87 45.979 -1.952 17.209 1.00 13.11 N ATOM 845 HE ARG A 87 45.028 0.358 17.296 1.00 0.00 H ATOM 846 HH12 ARG A 87 44.915 -3.359 18.973 1.00 0.00 H ATOM 847 HH11 ARG A 87 43.848 -2.070 19.638 1.00 0.00 H ATOM 848 HH22 ARG A 87 46.312 -2.936 17.248 1.00 0.00 H ATOM 849 HH21 ARG A 87 46.380 -1.295 16.510 1.00 0.00 H ATOM 850 H ARG A 87 40.966 -0.415 18.050 1.00 0.00 H ATOM 851 N ALA A 88 39.328 0.499 15.503 1.00 6.87 N ATOM 852 CA ALA A 88 38.485 0.388 14.308 1.00 6.29 C ATOM 853 C ALA A 88 37.023 0.583 14.677 1.00 6.15 C ATOM 854 O ALA A 88 36.138 0.196 13.927 1.00 7.36 O ATOM 855 CB ALA A 88 38.685 -0.982 13.635 1.00 6.97 C ATOM 856 H ALA A 88 39.249 -0.242 16.229 1.00 0.00 H ATOM 857 N LEU A 89 36.753 1.214 15.831 1.00 6.51 N ATOM 858 CA LEU A 89 35.386 1.590 16.187 1.00 6.36 C ATOM 859 C LEU A 89 34.993 2.935 15.581 1.00 6.35 C ATOM 860 O LEU A 89 35.755 3.894 15.644 1.00 7.27 O ATOM 861 CB LEU A 89 35.213 1.642 17.705 1.00 7.22 C ATOM 862 CG LEU A 89 35.279 0.274 18.397 1.00 8.21 C ATOM 863 CD1 LEU A 89 35.337 0.546 19.894 1.00 9.31 C ATOM 864 CD2 LEU A 89 34.097 -0.609 18.066 1.00 8.10 C ATOM 865 H LEU A 89 37.531 1.439 16.484 1.00 0.00 H ATOM 866 N PHE A 90 33.790 2.972 15.014 1.00 5.79 N ATOM 867 CA PHE A 90 33.184 4.195 14.473 1.00 5.78 C ATOM 868 C PHE A 90 31.725 4.291 14.960 1.00 6.76 C ATOM 869 O PHE A 90 31.128 3.299 15.406 1.00 7.40 O ATOM 870 CB PHE A 90 33.173 4.191 12.941 1.00 6.04 C ATOM 871 CG PHE A 90 34.550 4.183 12.321 1.00 6.25 C ATOM 872 CD1 PHE A 90 35.238 2.995 12.182 1.00 6.44 C ATOM 873 CD2 PHE A 90 35.116 5.332 11.854 1.00 6.65 C ATOM 874 CE1 PHE A 90 36.516 2.960 11.640 1.00 6.99 C ATOM 875 CE2 PHE A 90 36.403 5.303 11.326 1.00 7.00 C ATOM 876 CZ PHE A 90 37.074 4.105 11.190 1.00 6.85 C ATOM 877 H PHE A 90 33.249 2.086 14.951 1.00 0.00 H ATOM 878 N ALA A 91 31.186 5.491 14.843 1.00 5.70 N ATOM 879 CA ALA A 91 29.791 5.738 15.065 1.00 6.98 C ATOM 880 C ALA A 91 29.199 6.287 13.784 1.00 7.43 C ATOM 881 O ALA A 91 29.798 7.159 13.128 1.00 8.11 O ATOM 882 CB ALA A 91 29.592 6.692 16.220 1.00 8.38 C ATOM 883 H ALA A 91 31.798 6.289 14.579 1.00 0.00 H ATOM 884 N MET A 92 28.020 5.771 13.416 1.00 8.13 N ATOM 885 CA MET A 92 27.379 6.173 12.154 1.00 8.73 C ATOM 886 C MET A 92 26.313 7.211 12.511 1.00 7.19 C ATOM 887 O MET A 92 25.171 6.871 12.860 1.00 8.26 O ATOM 888 CB MET A 92 26.784 4.953 11.480 1.00 9.79 C ATOM 889 CG MET A 92 27.727 3.787 11.344 1.00 11.54 C ATOM 890 SD MET A 92 29.032 4.176 10.184 1.00 13.79 S ATOM 891 CE MET A 92 28.186 3.788 8.648 1.00 18.78 C ATOM 892 H MET A 92 27.550 5.076 14.031 1.00 0.00 H ATOM 893 N ASP A 93 26.709 8.492 12.488 1.00 7.20 N ATOM 894 CA ASP A 93 25.842 9.538 12.957 1.00 6.95 C ATOM 895 C ASP A 93 24.860 9.930 11.868 1.00 6.32 C ATOM 896 O ASP A 93 25.131 10.763 10.986 1.00 7.85 O ATOM 897 CB ASP A 93 26.661 10.728 13.453 1.00 7.30 C ATOM 898 CG ASP A 93 25.821 11.817 14.065 1.00 7.98 C ATOM 899 OD1 ASP A 93 24.582 11.824 13.858 1.00 9.05 O ATOM 900 OD2 ASP A 93 26.401 12.687 14.775 1.00 8.86 O ATOM 901 H ASP A 93 27.654 8.731 12.127 1.00 0.00 H ATOM 902 N PHE A 94 23.696 9.302 11.919 1.00 6.58 N ATOM 903 CA PHE A 94 22.667 9.513 10.900 1.00 7.37 C ATOM 904 C PHE A 94 21.766 10.712 11.149 1.00 7.66 C ATOM 905 O PHE A 94 20.867 10.991 10.342 1.00 8.72 O ATOM 906 CB PHE A 94 21.864 8.235 10.611 1.00 7.69 C ATOM 907 CG PHE A 94 21.112 7.637 11.793 1.00 7.67 C ATOM 908 CD1 PHE A 94 21.758 6.843 12.732 1.00 7.05 C ATOM 909 CD2 PHE A 94 19.711 7.753 11.874 1.00 7.66 C ATOM 910 CE1 PHE A 94 21.051 6.234 13.774 1.00 7.39 C ATOM 911 CE2 PHE A 94 19.010 7.161 12.912 1.00 8.79 C ATOM 912 CZ PHE A 94 19.664 6.377 13.852 1.00 7.92 C ATOM 913 H PHE A 94 23.508 8.643 12.702 1.00 0.00 H ATOM 914 N PHE A 95 22.033 11.429 12.243 1.00 8.22 N ATOM 915 CA PHE A 95 21.376 12.692 12.550 1.00 8.60 C ATOM 916 C PHE A 95 22.172 13.902 12.053 1.00 9.25 C ATOM 917 O PHE A 95 21.617 14.779 11.400 1.00 11.43 O ATOM 918 CB PHE A 95 21.089 12.772 14.056 1.00 8.97 C ATOM 919 CG PHE A 95 20.065 11.779 14.500 1.00 8.83 C ATOM 920 CD1 PHE A 95 18.719 12.114 14.443 1.00 9.75 C ATOM 921 CD2 PHE A 95 20.398 10.497 14.902 1.00 9.03 C ATOM 922 CE1 PHE A 95 17.748 11.214 14.810 1.00 8.85 C ATOM 923 CE2 PHE A 95 19.414 9.588 15.264 1.00 9.76 C ATOM 924 CZ PHE A 95 18.086 9.933 15.195 1.00 9.34 C ATOM 925 H PHE A 95 22.745 11.068 12.909 1.00 0.00 H ATOM 926 N ASN A 96 23.468 13.934 12.341 1.00 8.92 N ATOM 927 CA ASN A 96 24.352 14.956 11.789 1.00 8.69 C ATOM 928 C ASN A 96 24.966 14.617 10.438 1.00 7.80 C ATOM 929 O ASN A 96 25.645 15.457 9.838 1.00 9.54 O ATOM 930 CB ASN A 96 25.445 15.293 12.787 1.00 9.18 C ATOM 931 CG ASN A 96 24.855 15.808 14.108 1.00 10.67 C ATOM 932 OD1 ASN A 96 24.045 16.750 14.103 1.00 12.06 O ATOM 933 ND2 ASN A 96 25.216 15.189 15.217 1.00 11.34 N ATOM 934 HD22 ASN A 96 25.898 14.404 15.176 1.00 0.00 H ATOM 935 HD21 ASN A 96 24.819 15.486 16.131 1.00 0.00 H ATOM 936 H ASN A 96 23.863 13.212 12.977 1.00 0.00 H ATOM 937 N ASP A 97 24.734 13.382 9.995 1.00 6.69 N ATOM 938 CA ASP A 97 25.200 12.832 8.701 1.00 6.90 C ATOM 939 C ASP A 97 26.729 12.828 8.617 1.00 6.72 C ATOM 940 O ASP A 97 27.329 13.430 7.714 1.00 7.26 O ATOM 941 CB ASP A 97 24.590 13.547 7.495 1.00 7.86 C ATOM 942 CG ASP A 97 23.085 13.368 7.377 1.00 8.36 C ATOM 943 OD1 ASP A 97 22.529 12.443 8.015 1.00 9.81 O ATOM 944 OD2 ASP A 97 22.454 14.184 6.634 1.00 9.55 O ATOM 945 H ASP A 97 24.180 12.752 10.609 1.00 0.00 H ATOM 946 N ASN A 98 27.374 12.108 9.528 1.00 7.54 N ATOM 947 CA ASN A 98 28.800 11.893 9.409 1.00 6.80 C ATOM 948 C ASN A 98 29.194 10.558 9.999 1.00 6.76 C ATOM 949 O ASN A 98 28.355 9.891 10.578 1.00 7.24 O ATOM 950 CB ASN A 98 29.575 13.060 10.017 1.00 7.69 C ATOM 951 CG ASN A 98 29.362 13.219 11.530 1.00 7.92 C ATOM 952 OD1 ASN A 98 29.570 12.275 12.291 1.00 8.67 O ATOM 953 ND2 ASN A 98 29.081 14.461 11.973 1.00 8.32 N ATOM 954 HD22 ASN A 98 28.912 15.230 11.293 1.00 0.00 H ATOM 955 HD21 ASN A 98 29.033 14.650 12.995 1.00 0.00 H ATOM 956 H ASN A 98 26.853 11.698 10.329 1.00 0.00 H ATOM 957 N ILE A 99 30.448 10.161 9.776 1.00 6.30 N ATOM 958 CA ILE A 99 30.997 8.943 10.327 1.00 6.41 C ATOM 959 C ILE A 99 32.173 9.337 11.208 1.00 7.31 C ATOM 960 O ILE A 99 33.206 9.895 10.697 1.00 7.67 O ATOM 961 CB ILE A 99 31.482 8.007 9.205 1.00 6.73 C ATOM 962 CG1 ILE A 99 30.331 7.635 8.259 1.00 6.90 C ATOM 963 CG2 ILE A 99 32.083 6.762 9.829 1.00 7.28 C ATOM 964 CD1 ILE A 99 30.765 6.932 7.001 1.00 8.15 C ATOM 965 H ILE A 99 31.058 10.755 9.179 1.00 0.00 H ATOM 966 N MET A 100 32.029 9.109 12.519 1.00 6.30 N ATOM 967 CA MET A 100 33.034 9.517 13.513 1.00 6.95 C ATOM 968 C MET A 100 33.825 8.315 13.992 1.00 6.03 C ATOM 969 O MET A 100 33.243 7.319 14.400 1.00 7.04 O ATOM 970 CB MET A 100 32.384 10.192 14.732 1.00 7.83 C ATOM 971 CG MET A 100 33.410 10.802 15.648 1.00 8.87 C ATOM 972 SD MET A 100 32.740 11.361 17.223 1.00 13.13 S ATOM 973 CE MET A 100 32.164 12.953 16.754 1.00 15.16 C ATOM 974 H MET A 100 31.171 8.623 12.849 1.00 0.00 H ATOM 975 N HIS A 101 35.138 8.443 13.940 1.00 6.41 N ATOM 976 CA HIS A 101 36.047 7.462 14.526 1.00 6.52 C ATOM 977 C HIS A 101 36.063 7.623 16.053 1.00 6.63 C ATOM 978 O HIS A 101 35.751 8.704 16.574 1.00 8.31 O ATOM 979 CB HIS A 101 37.454 7.658 13.922 1.00 6.63 C ATOM 980 CG HIS A 101 38.479 6.731 14.484 1.00 7.42 C ATOM 981 ND1 HIS A 101 39.377 7.110 15.475 1.00 7.38 N ATOM 982 CD2 HIS A 101 38.697 5.409 14.256 1.00 6.55 C ATOM 983 CE1 HIS A 101 40.120 6.065 15.792 1.00 7.53 C ATOM 984 NE2 HIS A 101 39.714 5.020 15.088 1.00 7.24 N ATOM 985 H HIS A 101 35.541 9.275 13.463 1.00 0.00 H ATOM 986 N LYS A 102 36.390 6.551 16.770 1.00 6.69 N ATOM 987 CA LYS A 102 36.391 6.556 18.241 1.00 8.19 C ATOM 988 C LYS A 102 37.202 7.723 18.856 1.00 8.02 C ATOM 989 O LYS A 102 36.860 8.217 19.959 1.00 9.33 O ATOM 990 CB LYS A 102 36.894 5.187 18.741 1.00 9.33 C ATOM 991 CG LYS A 102 36.689 4.904 20.221 1.00 13.04 C ATOM 992 CD LYS A 102 35.221 4.759 20.563 1.00 15.40 C ATOM 993 CE LYS A 102 35.019 4.030 21.885 1.00 19.44 C ATOM 994 NZ LYS A 102 35.490 4.872 22.991 1.00 20.06 N ATOM 995 HZ1 LYS A 102 36.501 5.079 22.862 1.00 0.00 H ATOM 996 HZ2 LYS A 102 34.952 5.762 23.001 1.00 0.00 H ATOM 997 HZ3 LYS A 102 35.350 4.370 23.891 1.00 0.00 H ATOM 998 H LYS A 102 36.655 5.677 16.272 1.00 0.00 H ATOM 999 N GLY A 103 38.275 8.152 18.172 1.00 7.28 N ATOM 1000 CA GLY A 103 39.110 9.258 18.630 1.00 8.86 C ATOM 1001 C GLY A 103 38.500 10.631 18.421 1.00 8.86 C ATOM 1002 O GLY A 103 39.059 11.647 18.856 1.00 11.86 O ATOM 1003 H GLY A 103 38.521 7.677 17.280 1.00 0.00 H ATOM 1004 N GLY A 104 37.316 10.689 17.795 1.00 8.87 N ATOM 1005 CA GLY A 104 36.615 11.965 17.644 1.00 9.55 C ATOM 1006 C GLY A 104 36.700 12.675 16.313 1.00 9.56 C ATOM 1007 O GLY A 104 36.012 13.699 16.116 1.00 12.89 O ATOM 1008 H GLY A 104 36.892 9.820 17.413 1.00 0.00 H ATOM 1009 N LYS A 105 37.535 12.170 15.399 1.00 8.06 N ATOM 1010 CA LYS A 105 37.621 12.756 14.074 1.00 8.11 C ATOM 1011 C LYS A 105 36.672 12.012 13.125 1.00 8.38 C ATOM 1012 O LYS A 105 36.049 11.013 13.506 1.00 9.15 O ATOM 1013 CB LYS A 105 39.057 12.780 13.559 1.00 8.26 C ATOM 1014 CG LYS A 105 40.041 13.559 14.406 1.00 9.65 C ATOM 1015 CD LYS A 105 41.440 13.590 13.814 1.00 11.38 C ATOM 1016 CE LYS A 105 42.433 14.326 14.676 1.00 11.34 C ATOM 1017 NZ LYS A 105 42.281 15.805 14.585 1.00 10.87 N ATOM 1018 HZ1 LYS A 105 42.425 16.107 13.600 1.00 0.00 H ATOM 1019 HZ2 LYS A 105 41.325 16.074 14.895 1.00 0.00 H ATOM 1020 HZ3 LYS A 105 42.987 16.263 15.196 1.00 0.00 H ATOM 1021 H LYS A 105 38.128 11.350 15.640 1.00 0.00 H ATOM 1022 N TYR A 106 36.576 12.503 11.896 1.00 7.82 N ATOM 1023 CA TYR A 106 35.604 12.025 10.923 1.00 7.11 C ATOM 1024 C TYR A 106 36.240 11.475 9.646 1.00 7.34 C ATOM 1025 O TYR A 106 37.376 11.823 9.318 1.00 7.97 O ATOM 1026 CB TYR A 106 34.713 13.204 10.559 1.00 7.62 C ATOM 1027 CG TYR A 106 34.052 13.851 11.739 1.00 7.47 C ATOM 1028 CD1 TYR A 106 32.892 13.330 12.283 1.00 8.54 C ATOM 1029 CD2 TYR A 106 34.565 14.984 12.299 1.00 8.48 C ATOM 1030 CE1 TYR A 106 32.264 13.950 13.368 1.00 9.89 C ATOM 1031 CE2 TYR A 106 33.945 15.624 13.322 1.00 9.62 C ATOM 1032 CZ TYR A 106 32.792 15.095 13.874 1.00 10.61 C ATOM 1033 OH TYR A 106 32.216 15.752 14.945 1.00 13.64 O ATOM 1034 HH TYR A 106 31.405 15.263 15.233 1.00 0.00 H ATOM 1035 H TYR A 106 37.225 13.265 11.615 1.00 0.00 H ATOM 1036 N ILE A 107 35.480 10.671 8.885 1.00 6.28 N ATOM 1037 CA ILE A 107 35.881 10.285 7.561 1.00 6.58 C ATOM 1038 C ILE A 107 35.604 11.444 6.596 1.00 7.08 C ATOM 1039 O ILE A 107 34.505 11.974 6.568 1.00 8.03 O ATOM 1040 CB ILE A 107 35.227 8.971 7.106 1.00 7.25 C ATOM 1041 CG1 ILE A 107 35.586 7.823 8.052 1.00 7.75 C ATOM 1042 CG2 ILE A 107 35.598 8.622 5.645 1.00 8.28 C ATOM 1043 CD1 ILE A 107 35.029 6.464 7.635 1.00 8.00 C ATOM 1044 H ILE A 107 34.578 10.319 9.264 1.00 0.00 H ATOM 1045 N HIS A 108 36.629 11.804 5.815 1.00 6.67 N ATOM 1046 CA HIS A 108 36.558 12.842 4.782 1.00 7.02 C ATOM 1047 C HIS A 108 37.055 12.289 3.419 1.00 7.73 C ATOM 1048 O HIS A 108 37.938 11.427 3.389 1.00 7.86 O ATOM 1049 CB HIS A 108 37.536 13.962 5.095 1.00 7.49 C ATOM 1050 CG HIS A 108 37.113 14.883 6.183 1.00 8.01 C ATOM 1051 ND1 HIS A 108 37.029 16.245 6.010 1.00 7.50 N ATOM 1052 CD2 HIS A 108 36.771 14.643 7.471 1.00 7.96 C ATOM 1053 CE1 HIS A 108 36.646 16.802 7.144 1.00 8.94 C ATOM 1054 NE2 HIS A 108 36.484 15.843 8.044 1.00 8.99 N ATOM 1055 H HIS A 108 37.537 11.315 5.950 1.00 0.00 H ATOM 1056 N PRO A 109 36.594 12.859 2.309 1.00 7.89 N ATOM 1057 CA PRO A 109 37.425 12.741 1.089 1.00 8.32 C ATOM 1058 C PRO A 109 38.706 13.546 1.293 1.00 8.61 C ATOM 1059 O PRO A 109 38.647 14.703 1.825 1.00 8.70 O ATOM 1060 CB PRO A 109 36.576 13.406 0.006 1.00 8.78 C ATOM 1061 CG PRO A 109 35.750 14.402 0.729 1.00 9.66 C ATOM 1062 CD PRO A 109 35.570 13.896 2.165 1.00 8.46 C ATOM 1063 N LYS A 110 39.825 12.981 0.838 1.00 8.65 N ATOM 1064 CA LYS A 110 41.096 13.662 0.961 1.00 9.62 C ATOM 1065 C LYS A 110 41.014 14.965 0.155 1.00 10.99 C ATOM 1066 O LYS A 110 40.719 14.960 -1.040 1.00 11.90 O ATOM 1067 CB LYS A 110 42.227 12.791 0.494 1.00 10.50 C ATOM 1068 CG LYS A 110 43.601 13.382 0.754 1.00 13.63 C ATOM 1069 CD LYS A 110 44.769 12.438 0.413 1.00 17.45 C ATOM 1070 CE LYS A 110 46.082 13.171 0.711 1.00 23.54 C ATOM 1071 NZ LYS A 110 46.444 13.222 2.180 1.00 25.82 N ATOM 1072 HZ1 LYS A 110 45.693 13.715 2.704 1.00 0.00 H ATOM 1073 HZ2 LYS A 110 46.545 12.253 2.545 1.00 0.00 H ATOM 1074 HZ3 LYS A 110 47.342 13.733 2.297 1.00 0.00 H ATOM 1075 H LYS A 110 39.784 12.043 0.391 1.00 0.00 H ATOM 1076 N GLY A 111 41.301 16.068 0.834 1.00 11.22 N ATOM 1077 CA GLY A 111 41.181 17.366 0.302 1.00 14.07 C ATOM 1078 C GLY A 111 39.851 18.120 0.459 1.00 13.42 C ATOM 1079 O GLY A 111 39.753 19.312 0.090 1.00 12.82 O ATOM 1080 H GLY A 111 41.633 15.968 1.814 1.00 0.00 H ATOM 1081 N GLY A 112 38.815 17.436 0.917 1.00 10.58 N ATOM 1082 CA GLY A 112 37.573 18.117 1.266 1.00 10.97 C ATOM 1083 C GLY A 112 36.698 18.685 0.145 1.00 11.93 C ATOM 1084 O GLY A 112 35.928 19.577 0.394 1.00 12.71 O ATOM 1085 H GLY A 112 38.887 16.405 1.029 1.00 0.00 H ATOM 1086 N SER A 113 36.763 18.099 -1.071 1.00 11.93 N ATOM 1087 CA SER A 113 35.970 18.574 -2.169 1.00 13.40 C ATOM 1088 C SER A 113 34.526 18.153 -2.026 1.00 13.10 C ATOM 1089 O SER A 113 34.254 17.002 -1.660 1.00 13.13 O ATOM 1090 CB SER A 113 36.454 18.006 -3.494 1.00 14.11 C ATOM 1091 OG SER A 113 35.686 18.524 -4.567 1.00 12.84 O ATOM 1092 HG SER A 113 35.774 19.510 -4.588 1.00 0.00 H ATOM 1093 H SER A 113 37.399 17.289 -1.214 1.00 0.00 H ATOM 1094 N PRO A 114 33.611 19.047 -2.390 1.00 13.45 N ATOM 1095 CA PRO A 114 32.211 18.628 -2.459 1.00 13.59 C ATOM 1096 C PRO A 114 31.927 17.680 -3.625 1.00 12.51 C ATOM 1097 O PRO A 114 30.888 17.007 -3.624 1.00 14.93 O ATOM 1098 CB PRO A 114 31.426 19.931 -2.648 1.00 17.82 C ATOM 1099 CG PRO A 114 32.414 21.050 -2.687 1.00 22.45 C ATOM 1100 CD PRO A 114 33.809 20.498 -2.633 1.00 16.32 C ATOM 1101 N ASN A 115 32.830 17.642 -4.599 1.00 11.46 N ATOM 1102 CA ASN A 115 32.670 16.738 -5.731 1.00 11.82 C ATOM 1103 C ASN A 115 33.972 16.086 -6.098 1.00 12.18 C ATOM 1104 O ASN A 115 34.532 16.349 -7.177 1.00 13.52 O ATOM 1105 CB ASN A 115 32.081 17.440 -6.945 1.00 12.87 C ATOM 1106 CG ASN A 115 31.743 16.452 -8.055 1.00 13.76 C ATOM 1107 OD1 ASN A 115 31.483 15.243 -7.804 1.00 16.15 O ATOM 1108 ND2 ASN A 115 31.755 16.943 -9.289 1.00 15.04 N ATOM 1109 HD22 ASN A 115 31.975 17.947 -9.447 1.00 0.00 H ATOM 1110 HD21 ASN A 115 31.544 16.323 -10.097 1.00 0.00 H ATOM 1111 H ASN A 115 33.661 18.265 -4.553 1.00 0.00 H ATOM 1112 N PRO A 116 34.451 15.170 -5.222 1.00 12.51 N ATOM 1113 CA PRO A 116 35.740 14.525 -5.473 1.00 11.91 C ATOM 1114 C PRO A 116 35.634 13.618 -6.697 1.00 10.72 C ATOM 1115 O PRO A 116 34.597 12.989 -6.868 1.00 12.72 O ATOM 1116 CB PRO A 116 35.946 13.644 -4.215 1.00 14.36 C ATOM 1117 CG PRO A 116 34.947 14.088 -3.230 1.00 15.63 C ATOM 1118 CD PRO A 116 33.815 14.671 -3.996 1.00 13.14 C ATOM 1119 N PRO A 117 36.698 13.516 -7.525 1.00 11.01 N ATOM 1120 CA PRO A 117 36.636 12.606 -8.668 1.00 11.28 C ATOM 1121 C PRO A 117 36.711 11.148 -8.215 1.00 9.75 C ATOM 1122 O PRO A 117 37.175 10.838 -7.107 1.00 10.72 O ATOM 1123 CB PRO A 117 37.868 12.995 -9.512 1.00 15.39 C ATOM 1124 CG PRO A 117 38.805 13.636 -8.561 1.00 17.85 C ATOM 1125 CD PRO A 117 37.967 14.258 -7.469 1.00 13.47 C ATOM 1126 N ASN A 118 36.255 10.257 -9.070 1.00 10.16 N ATOM 1127 CA ASN A 118 36.367 8.847 -8.807 1.00 9.65 C ATOM 1128 C ASN A 118 37.793 8.497 -8.402 1.00 9.61 C ATOM 1129 O ASN A 118 38.796 9.022 -8.951 1.00 10.13 O ATOM 1130 CB ASN A 118 35.992 8.008 -10.016 1.00 9.76 C ATOM 1131 CG ASN A 118 34.491 7.848 -10.198 1.00 10.02 C ATOM 1132 OD1 ASN A 118 33.705 8.111 -9.297 1.00 12.42 O ATOM 1133 ND2 ASN A 118 34.090 7.391 -11.393 1.00 15.77 N ATOM 1134 HD22 ASN A 118 34.792 7.180 -12.131 1.00 0.00 H ATOM 1135 HD21 ASN A 118 33.077 7.248 -11.582 1.00 0.00 H ATOM 1136 H ASN A 118 35.806 10.578 -9.951 1.00 0.00 H ATOM 1137 N ASN A 119 37.840 7.585 -7.445 1.00 8.07 N ATOM 1138 CA ASN A 119 39.029 7.059 -6.811 1.00 8.23 C ATOM 1139 C ASN A 119 39.759 8.010 -5.871 1.00 8.92 C ATOM 1140 O ASN A 119 40.914 7.758 -5.499 1.00 10.85 O ATOM 1141 CB ASN A 119 39.949 6.417 -7.837 1.00 9.44 C ATOM 1142 CG ASN A 119 39.316 5.191 -8.456 1.00 10.14 C ATOM 1143 OD1 ASN A 119 38.700 4.412 -7.737 1.00 11.02 O ATOM 1144 ND2 ASN A 119 39.412 5.032 -9.794 1.00 13.09 N ATOM 1145 HD22 ASN A 119 39.946 5.720 -10.362 1.00 0.00 H ATOM 1146 HD21 ASN A 119 38.952 4.222 -10.256 1.00 0.00 H ATOM 1147 H ASN A 119 36.929 7.208 -7.115 1.00 0.00 H ATOM 1148 N THR A 120 39.109 9.112 -5.483 1.00 8.78 N ATOM 1149 CA THR A 120 39.660 9.944 -4.415 1.00 8.71 C ATOM 1150 C THR A 120 39.740 9.143 -3.123 1.00 8.96 C ATOM 1151 O THR A 120 38.760 8.529 -2.716 1.00 8.88 O ATOM 1152 CB THR A 120 38.808 11.181 -4.224 1.00 9.71 C ATOM 1153 OG1 THR A 120 38.860 11.954 -5.432 1.00 10.71 O ATOM 1154 CG2 THR A 120 39.299 12.037 -3.096 1.00 12.15 C ATOM 1155 HG1 THR A 120 38.511 11.413 -6.184 1.00 0.00 H ATOM 1156 H THR A 120 38.213 9.377 -5.940 1.00 0.00 H ATOM 1157 N GLU A 121 40.906 9.198 -2.482 1.00 8.20 N ATOM 1158 CA GLU A 121 41.149 8.540 -1.202 1.00 8.98 C ATOM 1159 C GLU A 121 40.324 9.186 -0.107 1.00 8.80 C ATOM 1160 O GLU A 121 40.050 10.380 -0.142 1.00 9.92 O ATOM 1161 CB GLU A 121 42.639 8.624 -0.813 1.00 11.07 C ATOM 1162 CG GLU A 121 43.531 7.847 -1.745 1.00 14.80 C ATOM 1163 CD GLU A 121 45.016 8.025 -1.481 1.00 19.39 C ATOM 1164 OE1 GLU A 121 45.408 8.600 -0.433 1.00 17.80 O ATOM 1165 OE2 GLU A 121 45.801 7.530 -2.344 1.00 25.32 O ATOM 1166 H GLU A 121 41.683 9.737 -2.915 1.00 0.00 H ATOM 1167 N THR A 122 39.906 8.372 0.854 1.00 8.90 N ATOM 1168 CA THR A 122 39.333 8.892 2.086 1.00 7.52 C ATOM 1169 C THR A 122 40.362 8.863 3.220 1.00 7.96 C ATOM 1170 O THR A 122 41.252 7.981 3.260 1.00 7.24 O ATOM 1171 CB THR A 122 38.030 8.161 2.515 1.00 7.83 C ATOM 1172 OG1 THR A 122 38.277 6.761 2.777 1.00 8.35 O ATOM 1173 CG2 THR A 122 36.962 8.321 1.435 1.00 9.15 C ATOM 1174 HG1 THR A 122 38.626 6.330 1.957 1.00 0.00 H ATOM 1175 H THR A 122 39.990 7.344 0.724 1.00 0.00 H ATOM 1176 N VAL A 123 40.222 9.849 4.114 1.00 7.51 N ATOM 1177 CA VAL A 123 41.110 10.062 5.241 1.00 7.34 C ATOM 1178 C VAL A 123 40.327 10.487 6.506 1.00 7.61 C ATOM 1179 O VAL A 123 39.174 10.888 6.432 1.00 9.33 O ATOM 1180 CB VAL A 123 42.167 11.177 4.947 1.00 8.37 C ATOM 1181 CG1 VAL A 123 43.058 10.768 3.785 1.00 9.02 C ATOM 1182 CG2 VAL A 123 41.530 12.531 4.702 1.00 8.80 C ATOM 1183 H VAL A 123 39.424 10.505 3.993 1.00 0.00 H ATOM 1184 N ILE A 124 40.982 10.372 7.648 1.00 8.67 N ATOM 1185 CA ILE A 124 40.561 10.955 8.893 1.00 9.24 C ATOM 1186 C ILE A 124 40.825 12.464 8.857 1.00 7.89 C ATOM 1187 O ILE A 124 41.902 12.892 8.465 1.00 8.29 O ATOM 1188 CB ILE A 124 41.437 10.379 10.031 1.00 11.40 C ATOM 1189 CG1 ILE A 124 41.106 8.920 10.292 1.00 13.30 C ATOM 1190 CG2 ILE A 124 41.425 11.245 11.282 1.00 10.21 C ATOM 1191 CD1 ILE A 124 39.741 8.662 10.916 1.00 16.77 C ATOM 1192 H ILE A 124 41.864 9.821 7.646 1.00 0.00 H ATOM 1193 N HIS A 125 39.877 13.249 9.333 1.00 7.75 N ATOM 1194 CA HIS A 125 40.122 14.676 9.569 1.00 8.35 C ATOM 1195 C HIS A 125 39.133 15.188 10.606 1.00 8.60 C ATOM 1196 O HIS A 125 37.962 14.794 10.621 1.00 9.09 O ATOM 1197 CB HIS A 125 40.033 15.487 8.272 1.00 8.24 C ATOM 1198 CG HIS A 125 40.795 16.775 8.321 1.00 9.68 C ATOM 1199 ND1 HIS A 125 40.326 17.887 8.985 1.00 10.64 N ATOM 1200 CD2 HIS A 125 41.983 17.133 7.786 1.00 9.93 C ATOM 1201 CE1 HIS A 125 41.202 18.875 8.875 1.00 11.79 C ATOM 1202 NE2 HIS A 125 42.217 18.447 8.152 1.00 11.90 N ATOM 1203 H HIS A 125 38.940 12.849 9.544 1.00 0.00 H ATOM 1204 N GLY A 126 39.603 16.071 11.479 1.00 9.53 N ATOM 1205 CA GLY A 126 38.733 16.589 12.537 1.00 10.46 C ATOM 1206 C GLY A 126 37.704 17.623 12.124 1.00 10.69 C ATOM 1207 O GLY A 126 36.762 17.884 12.864 1.00 11.85 O ATOM 1208 H GLY A 126 40.589 16.395 11.411 1.00 0.00 H ATOM 1209 N ASP A 127 37.859 18.216 10.945 1.00 11.54 N ATOM 1210 CA ASP A 127 36.967 19.311 10.535 1.00 12.39 C ATOM 1211 C ASP A 127 35.544 18.771 10.275 1.00 11.43 C ATOM 1212 O ASP A 127 35.340 17.612 9.912 1.00 10.66 O ATOM 1213 CB ASP A 127 37.458 19.990 9.257 1.00 13.25 C ATOM 1214 CG ASP A 127 38.637 20.920 9.474 1.00 14.14 C ATOM 1215 OD1 ASP A 127 39.070 21.108 10.633 1.00 16.05 O ATOM 1216 OD2 ASP A 127 39.164 21.436 8.465 1.00 13.26 O ATOM 1217 H ASP A 127 38.618 17.903 10.306 1.00 0.00 H ATOM 1218 N LYS A 128 34.579 19.656 10.471 1.00 12.92 N ATOM 1219 CA LYS A 128 33.189 19.401 10.151 1.00 13.69 C ATOM 1220 C LYS A 128 32.759 20.442 9.135 1.00 14.11 C ATOM 1221 O LYS A 128 32.919 21.647 9.385 1.00 15.70 O ATOM 1222 CB LYS A 128 32.308 19.576 11.384 1.00 19.89 C ATOM 1223 CG LYS A 128 32.177 18.383 12.309 1.00 25.85 C ATOM 1224 CD LYS A 128 30.936 18.522 13.221 1.00 30.17 C ATOM 1225 CE LYS A 128 29.696 18.895 12.403 1.00 38.43 C ATOM 1226 NZ LYS A 128 28.366 18.417 12.880 1.00 44.29 N ATOM 1227 HZ1 LYS A 128 28.364 17.378 12.912 1.00 0.00 H ATOM 1228 HZ2 LYS A 128 28.184 18.795 13.832 1.00 0.00 H ATOM 1229 HZ3 LYS A 128 27.626 18.746 12.227 1.00 0.00 H ATOM 1230 H LYS A 128 34.831 20.581 10.875 1.00 0.00 H ATOM 1231 N HIS A 129 32.167 19.971 8.026 1.00 11.70 N ATOM 1232 CA HIS A 129 31.662 20.819 6.964 1.00 11.61 C ATOM 1233 C HIS A 129 30.848 19.957 6.006 1.00 9.72 C ATOM 1234 O HIS A 129 30.743 18.727 6.179 1.00 10.32 O ATOM 1235 CB HIS A 129 32.802 21.567 6.218 1.00 13.55 C ATOM 1236 CG HIS A 129 33.919 20.706 5.741 1.00 11.41 C ATOM 1237 ND1 HIS A 129 33.745 19.704 4.811 1.00 12.39 N ATOM 1238 CD2 HIS A 129 35.246 20.734 6.010 1.00 13.03 C ATOM 1239 CE1 HIS A 129 34.907 19.119 4.572 1.00 12.55 C ATOM 1240 NE2 HIS A 129 35.833 19.733 5.276 1.00 13.64 N ATOM 1241 H HIS A 129 32.065 18.941 7.923 1.00 0.00 H ATOM 1242 N ALA A 130 30.293 20.591 4.982 1.00 12.17 N ATOM 1243 CA ALA A 130 29.327 19.915 4.152 1.00 13.06 C ATOM 1244 C ALA A 130 29.939 18.745 3.335 1.00 11.63 C ATOM 1245 O ALA A 130 29.256 17.789 3.009 1.00 11.33 O ATOM 1246 CB ALA A 130 28.652 20.928 3.223 1.00 15.23 C ATOM 1247 H ALA A 130 30.555 21.577 4.777 1.00 0.00 H ATOM 1248 N ALA A 131 31.233 18.851 3.027 1.00 11.21 N ATOM 1249 CA ALA A 131 31.922 17.868 2.194 1.00 12.29 C ATOM 1250 C ALA A 131 32.422 16.651 2.968 1.00 10.22 C ATOM 1251 O ALA A 131 33.035 15.756 2.379 1.00 9.90 O ATOM 1252 CB ALA A 131 33.065 18.516 1.426 1.00 13.23 C ATOM 1253 H ALA A 131 31.771 19.663 3.393 1.00 0.00 H ATOM 1254 N MET A 132 32.142 16.595 4.263 1.00 9.10 N ATOM 1255 CA MET A 132 32.414 15.359 5.011 1.00 8.61 C ATOM 1256 C MET A 132 31.168 14.651 5.469 1.00 7.76 C ATOM 1257 O MET A 132 31.258 13.694 6.236 1.00 8.15 O ATOM 1258 CB MET A 132 33.415 15.556 6.173 1.00 9.19 C ATOM 1259 CG MET A 132 33.135 16.720 7.104 1.00 9.61 C ATOM 1260 SD MET A 132 31.631 16.584 8.073 1.00 10.15 S ATOM 1261 CE MET A 132 32.227 15.449 9.335 1.00 11.59 C ATOM 1262 H MET A 132 31.733 17.420 4.746 1.00 0.00 H ATOM 1263 N GLU A 133 30.007 15.032 4.929 1.00 7.29 N ATOM 1264 CA GLU A 133 28.759 14.416 5.324 1.00 7.64 C ATOM 1265 C GLU A 133 28.530 13.163 4.500 1.00 7.63 C ATOM 1266 O GLU A 133 28.855 13.107 3.288 1.00 9.12 O ATOM 1267 CB GLU A 133 27.598 15.386 5.163 1.00 8.37 C ATOM 1268 CG GLU A 133 27.670 16.492 6.220 1.00 10.01 C ATOM 1269 CD GLU A 133 26.622 17.583 6.075 1.00 13.15 C ATOM 1270 OE1 GLU A 133 25.691 17.482 5.274 1.00 17.07 O ATOM 1271 OE2 GLU A 133 26.732 18.590 6.788 1.00 15.86 O ATOM 1272 H GLU A 133 30.000 15.785 4.212 1.00 0.00 H ATOM 1273 N PHE A 134 28.004 12.144 5.174 1.00 7.45 N ATOM 1274 CA PHE A 134 27.633 10.878 4.550 1.00 6.92 C ATOM 1275 C PHE A 134 26.222 10.473 4.976 1.00 7.96 C ATOM 1276 O PHE A 134 25.823 10.724 6.128 1.00 8.26 O ATOM 1277 CB PHE A 134 28.594 9.746 4.941 1.00 7.32 C ATOM 1278 CG PHE A 134 29.962 9.888 4.335 1.00 7.34 C ATOM 1279 CD1 PHE A 134 30.961 10.631 4.989 1.00 7.73 C ATOM 1280 CD2 PHE A 134 30.256 9.262 3.125 1.00 7.27 C ATOM 1281 CE1 PHE A 134 32.213 10.771 4.424 1.00 9.02 C ATOM 1282 CE2 PHE A 134 31.534 9.386 2.567 1.00 8.49 C ATOM 1283 CZ PHE A 134 32.499 10.144 3.210 1.00 10.12 C ATOM 1284 H PHE A 134 27.849 12.255 6.196 1.00 0.00 H ATOM 1285 N ILE A 135 25.494 9.829 4.066 1.00 6.95 N ATOM 1286 CA ILE A 135 24.202 9.229 4.374 1.00 7.09 C ATOM 1287 C ILE A 135 24.256 7.743 3.984 1.00 7.35 C ATOM 1288 O ILE A 135 25.160 7.333 3.239 1.00 8.09 O ATOM 1289 CB ILE A 135 23.014 10.001 3.752 1.00 8.03 C ATOM 1290 CG1 ILE A 135 23.031 9.955 2.218 1.00 10.48 C ATOM 1291 CG2 ILE A 135 23.050 11.445 4.198 1.00 8.90 C ATOM 1292 CD1 ILE A 135 21.715 10.470 1.651 1.00 11.96 C ATOM 1293 H ILE A 135 25.862 9.751 3.096 1.00 0.00 H ATOM 1294 N PHE A 136 23.370 6.943 4.579 1.00 6.17 N ATOM 1295 CA PHE A 136 23.445 5.481 4.506 1.00 6.81 C ATOM 1296 C PHE A 136 22.167 5.016 3.864 1.00 7.42 C ATOM 1297 O PHE A 136 21.067 5.189 4.443 1.00 6.87 O ATOM 1298 CB PHE A 136 23.665 4.901 5.930 1.00 7.31 C ATOM 1299 CG PHE A 136 24.624 5.732 6.740 1.00 7.54 C ATOM 1300 CD1 PHE A 136 25.893 6.023 6.256 1.00 7.80 C ATOM 1301 CD2 PHE A 136 24.255 6.256 7.984 1.00 8.13 C ATOM 1302 CE1 PHE A 136 26.779 6.813 6.976 1.00 7.54 C ATOM 1303 CE2 PHE A 136 25.156 7.024 8.710 1.00 7.84 C ATOM 1304 CZ PHE A 136 26.407 7.305 8.209 1.00 7.57 C ATOM 1305 H PHE A 136 22.593 7.375 5.118 1.00 0.00 H ATOM 1306 N VAL A 137 22.300 4.450 2.658 1.00 6.91 N ATOM 1307 CA VAL A 137 21.155 4.251 1.785 1.00 7.11 C ATOM 1308 C VAL A 137 20.957 2.802 1.358 1.00 7.32 C ATOM 1309 O VAL A 137 21.874 1.973 1.443 1.00 7.71 O ATOM 1310 CB VAL A 137 21.178 5.207 0.586 1.00 8.15 C ATOM 1311 CG1 VAL A 137 21.115 6.651 1.054 1.00 9.66 C ATOM 1312 CG2 VAL A 137 22.366 4.952 -0.310 1.00 8.85 C ATOM 1313 H VAL A 137 23.242 4.146 2.339 1.00 0.00 H ATOM 1314 N SER A 138 19.741 2.498 0.891 1.00 8.27 N ATOM 1315 CA SER A 138 19.400 1.156 0.464 1.00 8.14 C ATOM 1316 C SER A 138 20.199 0.747 -0.784 1.00 9.34 C ATOM 1317 O SER A 138 20.285 1.530 -1.734 1.00 10.14 O ATOM 1318 CB SER A 138 17.904 1.097 0.098 1.00 8.64 C ATOM 1319 OG SER A 138 17.551 -0.175 -0.397 1.00 9.71 O ATOM 1320 HG SER A 138 16.587 -0.184 -0.623 1.00 0.00 H ATOM 1321 H SER A 138 19.020 3.246 0.833 1.00 0.00 H ATOM 1322 N PRO A 139 20.671 -0.513 -0.831 1.00 8.64 N ATOM 1323 CA PRO A 139 21.251 -1.021 -2.073 1.00 11.15 C ATOM 1324 C PRO A 139 20.251 -1.087 -3.231 1.00 11.33 C ATOM 1325 O PRO A 139 20.685 -1.165 -4.396 1.00 14.21 O ATOM 1326 CB PRO A 139 21.759 -2.413 -1.679 1.00 12.76 C ATOM 1327 CG PRO A 139 22.030 -2.299 -0.225 1.00 13.37 C ATOM 1328 CD PRO A 139 20.873 -1.466 0.275 1.00 12.06 C ATOM 1329 N LYS A 140 18.947 -1.020 -2.929 1.00 11.01 N ATOM 1330 CA LYS A 140 17.914 -0.998 -3.970 1.00 14.02 C ATOM 1331 C LYS A 140 17.369 0.378 -4.302 1.00 12.80 C ATOM 1332 O LYS A 140 16.485 0.516 -5.186 1.00 16.26 O ATOM 1333 CB LYS A 140 16.714 -1.868 -3.565 1.00 16.12 C ATOM 1334 CG LYS A 140 17.077 -3.285 -3.254 1.00 22.53 C ATOM 1335 CD LYS A 140 15.859 -4.177 -3.050 1.00 28.30 C ATOM 1336 CE LYS A 140 14.755 -3.601 -2.171 1.00 30.62 C ATOM 1337 NZ LYS A 140 13.689 -4.634 -1.974 1.00 31.42 N ATOM 1338 HZ1 LYS A 140 13.294 -4.904 -2.898 1.00 0.00 H ATOM 1339 HZ2 LYS A 140 14.100 -5.471 -1.514 1.00 0.00 H ATOM 1340 HZ3 LYS A 140 12.935 -4.242 -1.374 1.00 0.00 H ATOM 1341 H LYS A 140 18.660 -0.983 -1.930 1.00 0.00 H ATOM 1342 N ASN A 141 17.844 1.391 -3.582 1.00 11.09 N ATOM 1343 CA ASN A 141 17.377 2.744 -3.803 1.00 12.03 C ATOM 1344 C ASN A 141 18.336 3.703 -3.155 1.00 11.16 C ATOM 1345 O ASN A 141 18.250 3.974 -1.944 1.00 11.72 O ATOM 1346 CB ASN A 141 15.959 2.967 -3.250 1.00 12.87 C ATOM 1347 CG ASN A 141 15.420 4.370 -3.569 1.00 14.00 C ATOM 1348 OD1 ASN A 141 16.180 5.317 -3.877 1.00 14.29 O ATOM 1349 ND2 ASN A 141 14.114 4.533 -3.418 1.00 17.88 N ATOM 1350 HD22 ASN A 141 13.515 3.722 -3.162 1.00 0.00 H ATOM 1351 HD21 ASN A 141 13.688 5.472 -3.556 1.00 0.00 H ATOM 1352 H ASN A 141 18.560 1.209 -2.850 1.00 0.00 H ATOM 1353 N LYS A 142 19.234 4.244 -3.970 1.00 12.71 N ATOM 1354 CA LYS A 142 20.340 5.066 -3.506 1.00 11.96 C ATOM 1355 C LYS A 142 19.908 6.409 -2.917 1.00 11.45 C ATOM 1356 O LYS A 142 20.744 7.141 -2.356 1.00 12.50 O ATOM 1357 CB LYS A 142 21.334 5.311 -4.671 1.00 14.20 C ATOM 1358 CG LYS A 142 20.833 6.319 -5.679 1.00 16.11 C ATOM 1359 CD LYS A 142 21.635 6.287 -6.962 1.00 20.33 C ATOM 1360 CE LYS A 142 21.191 7.399 -7.905 1.00 24.08 C ATOM 1361 NZ LYS A 142 21.640 6.976 -9.243 1.00 30.63 N ATOM 1362 HZ1 LYS A 142 22.674 6.866 -9.242 1.00 0.00 H ATOM 1363 HZ2 LYS A 142 21.194 6.068 -9.486 1.00 0.00 H ATOM 1364 HZ3 LYS A 142 21.367 7.696 -9.942 1.00 0.00 H ATOM 1365 H LYS A 142 19.142 4.071 -4.991 1.00 0.00 H ATOM 1366 N ASP A 143 18.623 6.735 -3.023 1.00 11.95 N ATOM 1367 CA ASP A 143 18.053 7.937 -2.376 1.00 15.14 C ATOM 1368 C ASP A 143 17.246 7.656 -1.110 1.00 13.58 C ATOM 1369 O ASP A 143 16.717 8.570 -0.491 1.00 16.60 O ATOM 1370 CB ASP A 143 17.188 8.666 -3.397 1.00 19.47 C ATOM 1371 CG ASP A 143 18.009 9.169 -4.564 1.00 24.63 C ATOM 1372 OD1 ASP A 143 19.101 9.699 -4.319 1.00 24.50 O ATOM 1373 OD2 ASP A 143 17.585 9.020 -5.720 1.00 38.56 O ATOM 1374 H ASP A 143 17.995 6.122 -3.582 1.00 0.00 H ATOM 1375 N LYS A 144 17.147 6.398 -0.720 1.00 11.01 N ATOM 1376 CA LYS A 144 16.368 5.998 0.472 1.00 11.77 C ATOM 1377 C LYS A 144 17.289 5.664 1.635 1.00 9.94 C ATOM 1378 O LYS A 144 17.998 4.661 1.607 1.00 9.37 O ATOM 1379 CB LYS A 144 15.477 4.794 0.164 1.00 13.29 C ATOM 1380 CG LYS A 144 14.582 4.315 1.310 1.00 16.36 C ATOM 1381 CD LYS A 144 13.653 3.212 0.814 1.00 24.89 C ATOM 1382 CE LYS A 144 12.240 3.378 1.353 1.00 35.86 C ATOM 1383 NZ LYS A 144 11.233 3.042 0.300 1.00 44.03 N ATOM 1384 HZ1 LYS A 144 11.360 3.676 -0.515 1.00 0.00 H ATOM 1385 HZ2 LYS A 144 11.365 2.056 -0.003 1.00 0.00 H ATOM 1386 HZ3 LYS A 144 10.275 3.161 0.687 1.00 0.00 H ATOM 1387 H LYS A 144 17.634 5.662 -1.271 1.00 0.00 H ATOM 1388 N ARG A 145 17.253 6.508 2.676 1.00 9.91 N ATOM 1389 CA ARG A 145 18.035 6.210 3.867 1.00 8.82 C ATOM 1390 C ARG A 145 17.501 4.953 4.542 1.00 9.10 C ATOM 1391 O ARG A 145 16.259 4.729 4.573 1.00 9.82 O ATOM 1392 CB ARG A 145 17.975 7.362 4.840 1.00 8.52 C ATOM 1393 CG ARG A 145 18.656 8.609 4.366 1.00 8.48 C ATOM 1394 CD ARG A 145 18.322 9.691 5.344 1.00 10.08 C ATOM 1395 NE ARG A 145 18.797 11.039 5.069 1.00 10.73 N ATOM 1396 CZ ARG A 145 19.801 11.656 5.701 1.00 10.37 C ATOM 1397 NH1 ARG A 145 20.549 10.995 6.592 1.00 10.22 N ATOM 1398 NH2 ARG A 145 20.056 12.965 5.446 1.00 9.68 N ATOM 1399 HE ARG A 145 18.314 11.568 4.316 1.00 0.00 H ATOM 1400 HH12 ARG A 145 21.328 11.481 7.080 1.00 0.00 H ATOM 1401 HH11 ARG A 145 20.351 9.995 6.797 1.00 0.00 H ATOM 1402 HH22 ARG A 145 20.836 13.448 5.936 1.00 0.00 H ATOM 1403 HH21 ARG A 145 19.471 13.485 4.761 1.00 0.00 H ATOM 1404 H ARG A 145 16.671 7.369 2.633 1.00 0.00 H ATOM 1405 N VAL A 146 18.430 4.148 5.055 1.00 8.12 N ATOM 1406 CA VAL A 146 18.133 2.993 5.839 1.00 8.47 C ATOM 1407 C VAL A 146 18.802 3.035 7.216 1.00 8.81 C ATOM 1408 O VAL A 146 19.854 3.678 7.427 1.00 8.92 O ATOM 1409 CB VAL A 146 18.501 1.691 5.108 1.00 9.26 C ATOM 1410 CG1 VAL A 146 17.719 1.555 3.811 1.00 10.78 C ATOM 1411 CG2 VAL A 146 19.991 1.612 4.832 1.00 9.54 C ATOM 1412 H VAL A 146 19.429 4.374 4.874 1.00 0.00 H ATOM 1413 N LEU A 147 18.162 2.350 8.159 1.00 9.62 N ATOM 1414 CA LEU A 147 18.679 2.269 9.515 1.00 9.11 C ATOM 1415 C LEU A 147 19.838 1.277 9.599 1.00 9.71 C ATOM 1416 O LEU A 147 19.646 0.079 9.411 1.00 10.93 O ATOM 1417 CB LEU A 147 17.552 1.858 10.456 1.00 9.61 C ATOM 1418 CG LEU A 147 17.954 1.646 11.921 1.00 9.90 C ATOM 1419 CD1 LEU A 147 18.436 2.954 12.523 1.00 9.60 C ATOM 1420 CD2 LEU A 147 16.745 1.104 12.704 1.00 10.71 C ATOM 1421 H LEU A 147 17.274 1.863 7.922 1.00 0.00 H ATOM 1422 N VAL A 148 21.037 1.785 9.918 1.00 8.52 N ATOM 1423 CA VAL A 148 22.233 0.942 9.970 1.00 9.87 C ATOM 1424 C VAL A 148 22.401 0.230 11.296 1.00 9.14 C ATOM 1425 O VAL A 148 23.121 -0.772 11.356 1.00 9.72 O ATOM 1426 CB VAL A 148 23.526 1.679 9.573 1.00 9.38 C ATOM 1427 CG1 VAL A 148 23.363 2.354 8.223 1.00 11.28 C ATOM 1428 CG2 VAL A 148 23.997 2.701 10.637 1.00 10.22 C ATOM 1429 H VAL A 148 21.119 2.799 10.133 1.00 0.00 H ATOM 1430 N TYR A 149 21.710 0.723 12.328 1.00 9.67 N ATOM 1431 CA TYR A 149 21.702 0.127 13.658 1.00 10.09 C ATOM 1432 C TYR A 149 20.477 -0.809 13.735 1.00 16.03 C ATOM 1433 O TYR A 149 19.445 -0.497 14.228 1.00 20.13 O ATOM 1434 CB TYR A 149 21.595 1.218 14.742 1.00 10.30 C ATOM 1435 CG TYR A 149 22.823 2.078 14.927 1.00 8.35 C ATOM 1436 CD1 TYR A 149 23.043 3.258 14.187 1.00 7.82 C ATOM 1437 CD2 TYR A 149 23.783 1.723 15.860 1.00 9.01 C ATOM 1438 CE1 TYR A 149 24.188 4.025 14.393 1.00 8.15 C ATOM 1439 CE2 TYR A 149 24.907 2.491 16.053 1.00 8.62 C ATOM 1440 CZ TYR A 149 25.130 3.623 15.292 1.00 8.59 C ATOM 1441 OH TYR A 149 26.285 4.370 15.486 1.00 8.84 O ATOM 1442 HH TYR A 149 27.077 3.802 15.312 1.00 0.00 H ATOM 1443 H TYR A 149 21.145 1.582 12.173 1.00 0.00 H ATOM 1444 N ALA A 150 20.544 -1.913 13.083 1.00 27.02 N ATOM 1445 CA ALA A 150 19.363 -2.752 13.059 1.00 31.00 C ATOM 1446 C ALA A 150 19.843 -4.157 13.230 1.00 37.58 C ATOM 1447 O ALA A 150 20.098 -4.871 12.270 1.00 58.93 O ATOM 1448 CB ALA A 150 18.546 -2.532 11.776 1.00 37.11 C ATOM 1449 H ALA A 150 21.415 -2.195 12.590 1.00 0.00 H TER 1450 ALA A 150 ATOM 1451 N THR B 2 15.056 -3.314 22.644 1.00 22.99 N ATOM 1452 CA THR B 2 15.803 -2.945 23.853 1.00 16.37 C ATOM 1453 C THR B 2 14.907 -2.102 24.769 1.00 12.56 C ATOM 1454 O THR B 2 14.308 -1.139 24.329 1.00 16.11 O ATOM 1455 CB THR B 2 17.082 -2.169 23.461 1.00 21.64 C ATOM 1456 OG1 THR B 2 17.926 -3.039 22.691 1.00 30.75 O ATOM 1457 CG2 THR B 2 17.836 -1.711 24.681 1.00 20.21 C ATOM 1458 HG1 THR B 2 18.750 -2.554 22.433 1.00 0.00 H ATOM 1459 HN3 THR B 2 14.761 -2.451 22.144 1.00 0.00 H ATOM 1460 HN2 THR B 2 14.216 -3.865 22.912 1.00 0.00 H ATOM 1461 HN1 THR B 2 15.664 -3.886 22.023 1.00 0.00 H ATOM 1462 N THR B 3 14.862 -2.456 26.052 1.00 11.26 N ATOM 1463 CA THR B 3 14.148 -1.662 27.056 1.00 10.69 C ATOM 1464 C THR B 3 15.109 -0.648 27.657 1.00 9.76 C ATOM 1465 O THR B 3 16.264 -0.962 27.915 1.00 10.49 O ATOM 1466 CB THR B 3 13.554 -2.602 28.121 1.00 13.09 C ATOM 1467 OG1 THR B 3 12.711 -3.574 27.469 1.00 14.67 O ATOM 1468 CG2 THR B 3 12.770 -1.844 29.148 1.00 13.55 C ATOM 1469 HG1 THR B 3 12.325 -4.183 28.148 1.00 0.00 H ATOM 1470 H THR B 3 15.350 -3.324 26.351 1.00 0.00 H ATOM 1471 N PHE B 4 14.634 0.583 27.838 1.00 8.05 N ATOM 1472 CA PHE B 4 15.449 1.668 28.324 1.00 8.13 C ATOM 1473 C PHE B 4 14.659 2.641 29.189 1.00 7.35 C ATOM 1474 O PHE B 4 13.420 2.636 29.198 1.00 7.25 O ATOM 1475 CB PHE B 4 16.144 2.404 27.159 1.00 8.05 C ATOM 1476 CG PHE B 4 15.198 2.958 26.149 1.00 7.74 C ATOM 1477 CD1 PHE B 4 14.797 2.161 25.067 1.00 8.87 C ATOM 1478 CD2 PHE B 4 14.678 4.260 26.262 1.00 9.24 C ATOM 1479 CE1 PHE B 4 13.914 2.647 24.127 1.00 8.52 C ATOM 1480 CE2 PHE B 4 13.801 4.743 25.294 1.00 9.37 C ATOM 1481 CZ PHE B 4 13.420 3.918 24.232 1.00 9.51 C ATOM 1482 H PHE B 4 13.634 0.769 27.620 1.00 0.00 H ATOM 1483 N LEU B 5 15.407 3.453 29.915 1.00 7.91 N ATOM 1484 CA LEU B 5 14.892 4.590 30.669 1.00 7.12 C ATOM 1485 C LEU B 5 15.204 5.829 29.848 1.00 6.49 C ATOM 1486 O LEU B 5 16.294 5.938 29.240 1.00 7.13 O ATOM 1487 CB LEU B 5 15.539 4.725 32.047 1.00 7.21 C ATOM 1488 CG LEU B 5 15.717 3.397 32.810 1.00 7.82 C ATOM 1489 CD1 LEU B 5 16.328 3.689 34.164 1.00 9.27 C ATOM 1490 CD2 LEU B 5 14.391 2.655 32.935 1.00 8.40 C ATOM 1491 H LEU B 5 16.430 3.269 29.951 1.00 0.00 H ATOM 1492 N ILE B 6 14.273 6.759 29.854 1.00 5.84 N ATOM 1493 CA ILE B 6 14.453 8.063 29.199 1.00 6.39 C ATOM 1494 C ILE B 6 14.851 9.051 30.271 1.00 5.96 C ATOM 1495 O ILE B 6 14.026 9.428 31.094 1.00 8.20 O ATOM 1496 CB ILE B 6 13.188 8.504 28.436 1.00 6.71 C ATOM 1497 CG1 ILE B 6 12.925 7.526 27.303 1.00 6.65 C ATOM 1498 CG2 ILE B 6 13.351 9.940 27.928 1.00 7.44 C ATOM 1499 CD1 ILE B 6 11.587 7.735 26.621 1.00 7.16 C ATOM 1500 H ILE B 6 13.375 6.564 30.341 1.00 0.00 H ATOM 1501 N LYS B 7 16.155 9.381 30.287 1.00 6.74 N ATOM 1502 CA LYS B 7 16.751 10.182 31.325 1.00 7.59 C ATOM 1503 C LYS B 7 16.977 11.611 30.870 1.00 6.61 C ATOM 1504 O LYS B 7 17.672 11.873 29.873 1.00 8.11 O ATOM 1505 CB LYS B 7 18.036 9.537 31.783 1.00 8.94 C ATOM 1506 CG LYS B 7 18.586 10.180 33.041 1.00 12.16 C ATOM 1507 CD LYS B 7 19.692 9.377 33.658 1.00 16.18 C ATOM 1508 CE LYS B 7 21.050 9.779 33.191 1.00 18.92 C ATOM 1509 NZ LYS B 7 22.055 9.198 34.152 1.00 17.28 N ATOM 1510 HZ1 LYS B 7 21.875 9.570 35.107 1.00 0.00 H ATOM 1511 HZ2 LYS B 7 21.966 8.162 34.160 1.00 0.00 H ATOM 1512 HZ3 LYS B 7 23.014 9.463 33.851 1.00 0.00 H ATOM 1513 H LYS B 7 16.761 9.042 29.513 1.00 0.00 H ATOM 1514 N HIS B 8 16.382 12.547 31.595 1.00 6.60 N ATOM 1515 CA HIS B 8 16.607 13.972 31.381 1.00 6.86 C ATOM 1516 C HIS B 8 18.049 14.275 31.799 1.00 7.69 C ATOM 1517 O HIS B 8 18.460 14.030 32.945 1.00 9.62 O ATOM 1518 CB HIS B 8 15.607 14.754 32.219 1.00 7.36 C ATOM 1519 CG HIS B 8 15.681 16.232 32.033 1.00 8.20 C ATOM 1520 ND1 HIS B 8 15.966 17.085 33.076 1.00 10.75 N ATOM 1521 CD2 HIS B 8 15.535 17.014 30.939 1.00 8.20 C ATOM 1522 CE1 HIS B 8 15.943 18.333 32.641 1.00 11.10 C ATOM 1523 NE2 HIS B 8 15.690 18.318 31.348 1.00 8.07 N ATOM 1524 H HIS B 8 15.727 12.253 32.348 1.00 0.00 H ATOM 1525 N LYS B 9 18.841 14.726 30.857 1.00 9.09 N ATOM 1526 CA LYS B 9 20.267 14.728 31.043 1.00 10.25 C ATOM 1527 C LYS B 9 20.684 15.701 32.157 1.00 9.97 C ATOM 1528 O LYS B 9 21.525 15.366 33.027 1.00 11.60 O ATOM 1529 CB LYS B 9 20.955 15.032 29.728 1.00 11.40 C ATOM 1530 CG LYS B 9 22.452 14.858 29.722 1.00 13.71 C ATOM 1531 CD LYS B 9 22.886 14.948 28.246 1.00 17.56 C ATOM 1532 CE LYS B 9 24.356 14.801 28.094 1.00 20.95 C ATOM 1533 NZ LYS B 9 24.680 15.354 26.755 1.00 18.08 N ATOM 1534 HZ1 LYS B 9 24.169 14.816 26.026 1.00 0.00 H ATOM 1535 HZ2 LYS B 9 24.394 16.353 26.715 1.00 0.00 H ATOM 1536 HZ3 LYS B 9 25.704 15.279 26.589 1.00 0.00 H ATOM 1537 H LYS B 9 18.435 15.085 29.969 1.00 0.00 H ATOM 1538 N ALA B 10 20.073 16.882 32.168 1.00 11.09 N ATOM 1539 CA ALA B 10 20.484 17.913 33.126 1.00 11.66 C ATOM 1540 C ALA B 10 20.147 17.579 34.577 1.00 12.03 C ATOM 1541 O ALA B 10 20.913 17.936 35.471 1.00 16.66 O ATOM 1542 CB ALA B 10 19.909 19.263 32.742 1.00 13.44 C ATOM 1543 H ALA B 10 19.303 17.075 31.496 1.00 0.00 H ATOM 1544 N SER B 11 19.019 16.892 34.806 1.00 10.41 N ATOM 1545 CA SER B 11 18.544 16.628 36.178 1.00 10.94 C ATOM 1546 C SER B 11 18.778 15.220 36.665 1.00 10.00 C ATOM 1547 O SER B 11 18.747 14.971 37.888 1.00 11.92 O ATOM 1548 CB SER B 11 17.045 16.892 36.301 1.00 12.18 C ATOM 1549 OG SER B 11 16.268 15.994 35.524 1.00 9.74 O ATOM 1550 HG SER B 11 16.516 16.085 34.570 1.00 0.00 H ATOM 1551 H SER B 11 18.467 16.537 33.999 1.00 0.00 H ATOM 1552 N GLY B 12 18.929 14.297 35.714 1.00 8.49 N ATOM 1553 CA GLY B 12 18.884 12.892 36.026 1.00 10.21 C ATOM 1554 C GLY B 12 17.536 12.286 36.353 1.00 9.65 C ATOM 1555 O GLY B 12 17.459 11.088 36.727 1.00 11.37 O ATOM 1556 H GLY B 12 19.082 14.597 34.730 1.00 0.00 H ATOM 1557 N LYS B 13 16.470 13.055 36.228 1.00 7.87 N ATOM 1558 CA LYS B 13 15.122 12.501 36.378 1.00 8.12 C ATOM 1559 C LYS B 13 14.738 11.745 35.102 1.00 8.76 C ATOM 1560 O LYS B 13 15.444 11.870 34.098 1.00 8.90 O ATOM 1561 CB LYS B 13 14.140 13.598 36.697 1.00 9.23 C ATOM 1562 CG LYS B 13 14.373 14.211 38.097 1.00 10.77 C ATOM 1563 CD LYS B 13 13.279 15.187 38.511 1.00 12.45 C ATOM 1564 CE LYS B 13 13.397 15.645 39.976 1.00 14.46 C ATOM 1565 NZ LYS B 13 14.639 16.425 40.175 1.00 18.25 N ATOM 1566 HZ1 LYS B 13 15.460 15.833 39.938 1.00 0.00 H ATOM 1567 HZ2 LYS B 13 14.624 17.262 39.558 1.00 0.00 H ATOM 1568 HZ3 LYS B 13 14.703 16.726 41.168 1.00 0.00 H ATOM 1569 H LYS B 13 16.589 14.067 36.020 1.00 0.00 H ATOM 1570 N PHE B 14 13.636 10.990 35.145 1.00 6.77 N ATOM 1571 CA PHE B 14 13.217 10.123 34.039 1.00 6.64 C ATOM 1572 C PHE B 14 11.813 10.455 33.560 1.00 6.93 C ATOM 1573 O PHE B 14 11.015 11.006 34.301 1.00 7.17 O ATOM 1574 CB PHE B 14 13.255 8.654 34.482 1.00 7.58 C ATOM 1575 CG PHE B 14 14.596 8.228 35.007 1.00 7.83 C ATOM 1576 CD1 PHE B 14 15.604 7.803 34.137 1.00 9.26 C ATOM 1577 CD2 PHE B 14 14.856 8.232 36.382 1.00 8.76 C ATOM 1578 CE1 PHE B 14 16.840 7.417 34.619 1.00 8.85 C ATOM 1579 CE2 PHE B 14 16.108 7.861 36.879 1.00 9.58 C ATOM 1580 CZ PHE B 14 17.100 7.463 36.004 1.00 10.86 C ATOM 1581 H PHE B 14 13.048 11.019 36.003 1.00 0.00 H ATOM 1582 N LEU B 15 11.500 10.102 32.319 1.00 6.68 N ATOM 1583 CA LEU B 15 10.148 10.236 31.807 1.00 6.48 C ATOM 1584 C LEU B 15 9.253 9.149 32.419 1.00 6.47 C ATOM 1585 O LEU B 15 9.613 7.969 32.383 1.00 7.73 O ATOM 1586 CB LEU B 15 10.159 10.099 30.287 1.00 6.92 C ATOM 1587 CG LEU B 15 8.901 10.655 29.605 1.00 8.22 C ATOM 1588 CD1 LEU B 15 8.828 12.180 29.748 1.00 8.88 C ATOM 1589 CD2 LEU B 15 8.890 10.232 28.160 1.00 8.89 C ATOM 1590 H LEU B 15 12.242 9.720 31.698 1.00 0.00 H ATOM 1591 N HIS B 16 8.090 9.554 32.936 1.00 5.92 N ATOM 1592 CA HIS B 16 7.131 8.668 33.580 1.00 6.83 C ATOM 1593 C HIS B 16 5.729 9.051 33.074 1.00 6.71 C ATOM 1594 O HIS B 16 5.463 10.244 32.860 1.00 6.45 O ATOM 1595 CB HIS B 16 7.039 8.960 35.063 1.00 7.55 C ATOM 1596 CG HIS B 16 8.156 8.438 35.895 1.00 7.16 C ATOM 1597 ND1 HIS B 16 7.930 7.577 36.945 1.00 7.30 N ATOM 1598 CD2 HIS B 16 9.487 8.690 35.895 1.00 7.20 C ATOM 1599 CE1 HIS B 16 9.070 7.330 37.563 1.00 6.62 C ATOM 1600 NE2 HIS B 16 10.035 7.958 36.927 1.00 7.04 N ATOM 1601 H HIS B 16 7.855 10.565 32.875 1.00 0.00 H ATOM 1602 N PRO B 17 4.794 8.092 33.047 1.00 7.25 N ATOM 1603 CA PRO B 17 3.368 8.497 33.051 1.00 7.55 C ATOM 1604 C PRO B 17 3.027 9.180 34.380 1.00 7.80 C ATOM 1605 O PRO B 17 3.493 8.712 35.419 1.00 9.03 O ATOM 1606 CB PRO B 17 2.614 7.160 32.886 1.00 9.14 C ATOM 1607 CG PRO B 17 3.556 6.115 33.337 1.00 9.12 C ATOM 1608 CD PRO B 17 4.969 6.645 33.290 1.00 7.16 C ATOM 1609 N TYR B 18 2.284 10.283 34.357 1.00 7.93 N ATOM 1610 CA TYR B 18 1.858 10.928 35.618 1.00 8.88 C ATOM 1611 C TYR B 18 1.079 9.905 36.415 1.00 9.10 C ATOM 1612 O TYR B 18 0.095 9.373 35.915 1.00 10.16 O ATOM 1613 CB TYR B 18 0.962 12.109 35.334 1.00 10.69 C ATOM 1614 CG TYR B 18 0.500 12.821 36.571 1.00 12.64 C ATOM 1615 CD1 TYR B 18 1.412 13.349 37.481 1.00 15.15 C ATOM 1616 CD2 TYR B 18 -0.831 12.888 36.885 1.00 19.49 C ATOM 1617 CE1 TYR B 18 0.990 14.009 38.631 1.00 18.55 C ATOM 1618 CE2 TYR B 18 -1.263 13.551 38.031 1.00 26.10 C ATOM 1619 CZ TYR B 18 -0.343 14.092 38.908 1.00 24.85 C ATOM 1620 OH TYR B 18 -0.759 14.759 40.067 1.00 27.87 O ATOM 1621 HH TYR B 18 0.035 15.075 40.567 1.00 0.00 H ATOM 1622 H TYR B 18 2.000 10.695 33.445 1.00 0.00 H ATOM 1623 N GLY B 19 1.507 9.642 37.650 1.00 8.66 N ATOM 1624 CA GLY B 19 0.885 8.631 38.522 1.00 7.77 C ATOM 1625 C GLY B 19 1.451 7.232 38.413 1.00 8.50 C ATOM 1626 O GLY B 19 1.114 6.332 39.231 1.00 10.32 O ATOM 1627 H GLY B 19 2.320 10.177 38.016 1.00 0.00 H ATOM 1628 N GLY B 20 2.313 7.005 37.421 1.00 8.51 N ATOM 1629 CA GLY B 20 3.041 5.749 37.329 1.00 9.00 C ATOM 1630 C GLY B 20 2.240 4.534 36.957 1.00 8.42 C ATOM 1631 O GLY B 20 2.678 3.427 37.214 1.00 8.88 O ATOM 1632 H GLY B 20 2.467 7.739 36.700 1.00 0.00 H ATOM 1633 N SER B 21 1.056 4.705 36.366 1.00 8.22 N ATOM 1634 CA SER B 21 0.164 3.556 36.152 1.00 8.52 C ATOM 1635 C SER B 21 0.748 2.503 35.172 1.00 7.49 C ATOM 1636 O SER B 21 1.390 2.835 34.194 1.00 9.17 O ATOM 1637 CB SER B 21 -1.219 4.015 35.661 1.00 8.97 C ATOM 1638 OG SER B 21 -2.021 2.863 35.447 1.00 8.65 O ATOM 1639 HG SER B 21 -2.917 3.140 35.130 1.00 0.00 H ATOM 1640 H SER B 21 0.763 5.654 36.056 1.00 0.00 H ATOM 1641 N SER B 22 0.526 1.227 35.477 1.00 7.27 N ATOM 1642 CA SER B 22 0.771 0.145 34.546 1.00 7.28 C ATOM 1643 C SER B 22 -0.174 0.144 33.358 1.00 7.84 C ATOM 1644 O SER B 22 0.149 -0.457 32.350 1.00 9.38 O ATOM 1645 CB SER B 22 0.766 -1.208 35.285 1.00 7.72 C ATOM 1646 OG SER B 22 -0.525 -1.447 35.812 1.00 8.54 O ATOM 1647 HG SER B 22 -1.183 -1.470 35.073 1.00 0.00 H ATOM 1648 H SER B 22 0.161 0.997 36.423 1.00 0.00 H ATOM 1649 N ASN B 23 -1.314 0.842 33.450 1.00 8.01 N ATOM 1650 CA ASN B 23 -2.233 0.987 32.322 1.00 9.60 C ATOM 1651 C ASN B 23 -2.851 2.378 32.346 1.00 9.73 C ATOM 1652 O ASN B 23 -4.032 2.558 32.699 1.00 10.85 O ATOM 1653 CB ASN B 23 -3.307 -0.061 32.290 1.00 11.40 C ATOM 1654 CG ASN B 23 -4.062 -0.041 30.964 1.00 16.22 C ATOM 1655 OD1 ASN B 23 -3.604 0.590 29.996 1.00 21.02 O ATOM 1656 ND2 ASN B 23 -5.186 -0.707 30.901 1.00 20.62 N ATOM 1657 HD22 ASN B 23 -5.533 -1.222 31.735 1.00 0.00 H ATOM 1658 HD21 ASN B 23 -5.733 -0.722 30.016 1.00 0.00 H ATOM 1659 H ASN B 23 -1.553 1.296 34.354 1.00 0.00 H ATOM 1660 N PRO B 24 -2.028 3.383 32.043 1.00 9.22 N ATOM 1661 CA PRO B 24 -2.528 4.738 32.058 1.00 9.31 C ATOM 1662 C PRO B 24 -3.664 4.948 31.060 1.00 10.14 C ATOM 1663 O PRO B 24 -3.639 4.414 29.917 1.00 10.30 O ATOM 1664 CB PRO B 24 -1.338 5.577 31.605 1.00 10.97 C ATOM 1665 CG PRO B 24 -0.171 4.719 31.708 1.00 11.20 C ATOM 1666 CD PRO B 24 -0.657 3.309 31.533 1.00 9.68 C ATOM 1667 N ALA B 25 -4.648 5.733 31.455 1.00 9.56 N ATOM 1668 CA ALA B 25 -5.725 6.124 30.495 1.00 10.01 C ATOM 1669 C ALA B 25 -5.131 6.910 29.327 1.00 9.25 C ATOM 1670 O ALA B 25 -4.140 7.607 29.501 1.00 9.46 O ATOM 1671 CB ALA B 25 -6.751 7.004 31.197 1.00 12.37 C ATOM 1672 H ALA B 25 -4.674 6.080 32.435 1.00 0.00 H ATOM 1673 N ASN B 26 -5.769 6.839 28.168 1.00 7.85 N ATOM 1674 CA ASN B 26 -5.407 7.712 27.073 1.00 8.51 C ATOM 1675 C ASN B 26 -5.358 9.143 27.550 1.00 7.91 C ATOM 1676 O ASN B 26 -6.223 9.602 28.328 1.00 10.06 O ATOM 1677 CB ASN B 26 -6.400 7.587 25.914 1.00 9.57 C ATOM 1678 CG ASN B 26 -6.231 6.300 25.139 1.00 10.29 C ATOM 1679 OD1 ASN B 26 -5.123 5.756 25.026 1.00 11.19 O ATOM 1680 ND2 ASN B 26 -7.315 5.838 24.545 1.00 12.55 N ATOM 1681 HD22 ASN B 26 -8.224 6.328 24.668 1.00 0.00 H ATOM 1682 HD21 ASN B 26 -7.260 4.984 23.954 1.00 0.00 H ATOM 1683 H ASN B 26 -6.537 6.149 28.044 1.00 0.00 H ATOM 1684 N ASN B 27 -4.366 9.860 27.036 1.00 7.76 N ATOM 1685 CA ASN B 27 -4.115 11.261 27.344 1.00 8.54 C ATOM 1686 C ASN B 27 -3.540 11.533 28.735 1.00 8.09 C ATOM 1687 O ASN B 27 -3.458 12.685 29.150 1.00 8.49 O ATOM 1688 CB ASN B 27 -5.306 12.151 27.006 1.00 8.75 C ATOM 1689 CG ASN B 27 -5.644 12.085 25.538 1.00 9.37 C ATOM 1690 OD1 ASN B 27 -4.739 12.146 24.692 1.00 10.95 O ATOM 1691 ND2 ASN B 27 -6.937 11.899 25.215 1.00 12.42 N ATOM 1692 HD22 ASN B 27 -7.659 11.855 25.963 1.00 0.00 H ATOM 1693 HD21 ASN B 27 -7.215 11.799 24.218 1.00 0.00 H ATOM 1694 H ASN B 27 -3.724 9.389 26.367 1.00 0.00 H ATOM 1695 N THR B 28 -3.080 10.486 29.410 1.00 7.23 N ATOM 1696 CA THR B 28 -2.290 10.694 30.635 1.00 7.57 C ATOM 1697 C THR B 28 -1.009 11.453 30.274 1.00 7.20 C ATOM 1698 O THR B 28 -0.292 11.097 29.323 1.00 7.10 O ATOM 1699 CB THR B 28 -1.900 9.363 31.263 1.00 8.07 C ATOM 1700 OG1 THR B 28 -3.067 8.688 31.734 1.00 9.65 O ATOM 1701 CG2 THR B 28 -0.926 9.542 32.421 1.00 9.91 C ATOM 1702 HG1 THR B 28 -3.681 8.524 30.975 1.00 0.00 H ATOM 1703 H THR B 28 -3.277 9.522 29.074 1.00 0.00 H ATOM 1704 N LYS B 29 -0.727 12.496 31.029 1.00 7.94 N ATOM 1705 CA LYS B 29 0.474 13.287 30.804 1.00 7.27 C ATOM 1706 C LYS B 29 1.745 12.541 31.120 1.00 6.62 C ATOM 1707 O LYS B 29 1.772 11.678 31.971 1.00 8.21 O ATOM 1708 CB LYS B 29 0.410 14.565 31.642 1.00 9.44 C ATOM 1709 CG LYS B 29 -0.665 15.544 31.210 1.00 11.59 C ATOM 1710 CD LYS B 29 -0.710 16.709 32.188 1.00 14.98 C ATOM 1711 CE LYS B 29 -1.867 17.654 31.863 1.00 23.82 C ATOM 1712 NZ LYS B 29 -1.856 18.837 32.759 1.00 30.47 N ATOM 1713 HZ1 LYS B 29 -1.948 18.523 33.746 1.00 0.00 H ATOM 1714 HZ2 LYS B 29 -0.961 19.352 32.640 1.00 0.00 H ATOM 1715 HZ3 LYS B 29 -2.652 19.461 32.517 1.00 0.00 H ATOM 1716 H LYS B 29 -1.374 12.759 31.799 1.00 0.00 H ATOM 1717 N LEU B 30 2.791 12.878 30.387 1.00 6.76 N ATOM 1718 CA LEU B 30 4.138 12.384 30.642 1.00 6.65 C ATOM 1719 C LEU B 30 4.907 13.467 31.392 1.00 6.44 C ATOM 1720 O LEU B 30 4.963 14.612 30.962 1.00 7.25 O ATOM 1721 CB LEU B 30 4.814 12.015 29.319 1.00 6.66 C ATOM 1722 CG LEU B 30 4.265 10.741 28.685 1.00 7.58 C ATOM 1723 CD1 LEU B 30 4.512 10.744 27.162 1.00 8.64 C ATOM 1724 CD2 LEU B 30 4.872 9.516 29.320 1.00 7.51 C ATOM 1725 H LEU B 30 2.646 13.528 29.588 1.00 0.00 H ATOM 1726 N VAL B 31 5.483 13.061 32.516 1.00 6.48 N ATOM 1727 CA VAL B 31 6.191 13.950 33.450 1.00 6.48 C ATOM 1728 C VAL B 31 7.603 13.451 33.678 1.00 6.83 C ATOM 1729 O VAL B 31 7.953 12.339 33.298 1.00 7.60 O ATOM 1730 CB VAL B 31 5.453 14.044 34.806 1.00 7.01 C ATOM 1731 CG1 VAL B 31 4.038 14.542 34.571 1.00 8.46 C ATOM 1732 CG2 VAL B 31 5.449 12.683 35.532 1.00 7.38 C ATOM 1733 H VAL B 31 5.431 12.049 32.752 1.00 0.00 H ATOM 1734 N LEU B 32 8.388 14.263 34.358 1.00 7.02 N ATOM 1735 CA LEU B 32 9.705 13.892 34.817 1.00 7.40 C ATOM 1736 C LEU B 32 9.636 13.543 36.306 1.00 7.88 C ATOM 1737 O LEU B 32 9.006 14.275 37.093 1.00 8.47 O ATOM 1738 CB LEU B 32 10.710 15.007 34.568 1.00 9.10 C ATOM 1739 CG LEU B 32 10.968 15.383 33.102 1.00 8.80 C ATOM 1740 CD1 LEU B 32 11.950 16.551 32.965 1.00 12.12 C ATOM 1741 CD2 LEU B 32 11.438 14.136 32.320 1.00 9.07 C ATOM 1742 H LEU B 32 8.041 15.219 34.575 1.00 0.00 H ATOM 1743 N HIS B 33 10.263 12.433 36.680 1.00 7.21 N ATOM 1744 CA HIS B 33 10.285 11.997 38.089 1.00 7.50 C ATOM 1745 C HIS B 33 11.556 11.192 38.345 1.00 8.16 C ATOM 1746 O HIS B 33 12.051 10.460 37.450 1.00 7.56 O ATOM 1747 CB HIS B 33 9.012 11.189 38.359 1.00 7.72 C ATOM 1748 CG HIS B 33 8.672 10.972 39.799 1.00 8.37 C ATOM 1749 ND1 HIS B 33 9.368 10.109 40.606 1.00 9.80 N ATOM 1750 CD2 HIS B 33 7.681 11.489 40.582 1.00 10.22 C ATOM 1751 CE1 HIS B 33 8.846 10.107 41.818 1.00 10.92 C ATOM 1752 NE2 HIS B 33 7.804 10.913 41.825 1.00 11.09 N ATOM 1753 H HIS B 33 10.750 11.858 35.963 1.00 0.00 H ATOM 1754 N SER B 34 12.080 11.317 39.566 1.00 8.63 N ATOM 1755 CA SER B 34 13.323 10.678 39.948 1.00 9.20 C ATOM 1756 C SER B 34 13.281 9.148 40.102 1.00 9.74 C ATOM 1757 O SER B 34 14.300 8.495 40.042 1.00 11.91 O ATOM 1758 CB SER B 34 13.845 11.361 41.225 1.00 10.61 C ATOM 1759 OG SER B 34 12.909 11.292 42.286 1.00 13.49 O ATOM 1760 HG SER B 34 12.721 10.343 42.498 1.00 0.00 H ATOM 1761 H SER B 34 11.577 11.895 40.270 1.00 0.00 H ATOM 1762 N ASP B 35 12.117 8.572 40.348 1.00 9.31 N ATOM 1763 CA ASP B 35 12.015 7.149 40.680 1.00 9.76 C ATOM 1764 C ASP B 35 12.270 6.286 39.452 1.00 8.43 C ATOM 1765 O ASP B 35 11.998 6.679 38.295 1.00 8.38 O ATOM 1766 CB ASP B 35 10.617 6.763 41.187 1.00 11.81 C ATOM 1767 CG ASP B 35 10.292 7.191 42.609 1.00 15.27 C ATOM 1768 OD1 ASP B 35 11.149 7.692 43.358 1.00 18.87 O ATOM 1769 OD2 ASP B 35 9.077 6.977 42.982 1.00 19.69 O ATOM 1770 H ASP B 35 11.250 9.145 40.305 1.00 0.00 H ATOM 1771 N ILE B 36 12.714 5.073 39.730 1.00 9.18 N ATOM 1772 CA ILE B 36 12.862 4.028 38.762 1.00 9.10 C ATOM 1773 C ILE B 36 11.995 2.837 39.136 1.00 9.60 C ATOM 1774 O ILE B 36 12.049 2.366 40.270 1.00 11.31 O ATOM 1775 CB ILE B 36 14.326 3.587 38.650 1.00 9.68 C ATOM 1776 CG1 ILE B 36 15.206 4.761 38.244 1.00 10.92 C ATOM 1777 CG2 ILE B 36 14.430 2.413 37.701 1.00 11.16 C ATOM 1778 CD1 ILE B 36 16.682 4.466 38.259 1.00 11.65 C ATOM 1779 H ILE B 36 12.973 4.864 40.715 1.00 0.00 H ATOM 1780 N HIS B 37 11.215 2.350 38.163 1.00 9.57 N ATOM 1781 CA HIS B 37 10.368 1.167 38.316 1.00 8.69 C ATOM 1782 C HIS B 37 9.865 0.738 36.924 1.00 9.00 C ATOM 1783 O HIS B 37 10.004 1.492 35.937 1.00 7.95 O ATOM 1784 CB HIS B 37 9.178 1.384 39.284 1.00 8.65 C ATOM 1785 CG HIS B 37 8.312 2.559 38.963 1.00 8.14 C ATOM 1786 ND1 HIS B 37 7.495 2.605 37.848 1.00 8.28 N ATOM 1787 CD2 HIS B 37 8.132 3.744 39.601 1.00 8.54 C ATOM 1788 CE1 HIS B 37 6.834 3.747 37.830 1.00 9.24 C ATOM 1789 NE2 HIS B 37 7.202 4.460 38.878 1.00 8.51 N ATOM 1790 H HIS B 37 11.211 2.841 37.246 1.00 0.00 H ATOM 1791 N GLU B 38 9.255 -0.449 36.858 1.00 9.21 N ATOM 1792 CA GLU B 38 8.899 -1.042 35.620 1.00 9.47 C ATOM 1793 C GLU B 38 7.886 -0.250 34.786 1.00 9.42 C ATOM 1794 O GLU B 38 7.777 -0.501 33.566 1.00 10.89 O ATOM 1795 CB GLU B 38 8.314 -2.438 35.888 1.00 13.59 C ATOM 1796 CG GLU B 38 9.349 -3.449 36.181 1.00 19.35 C ATOM 1797 CD GLU B 38 8.759 -4.855 36.303 1.00 28.14 C ATOM 1798 OE1 GLU B 38 7.504 -5.025 36.303 1.00 29.02 O ATOM 1799 OE2 GLU B 38 9.576 -5.784 36.391 1.00 41.14 O ATOM 1800 H GLU B 38 9.035 -0.953 37.741 1.00 0.00 H ATOM 1801 N ARG B 39 7.103 0.619 35.430 1.00 8.33 N ATOM 1802 CA ARG B 39 6.086 1.432 34.743 1.00 8.69 C ATOM 1803 C ARG B 39 6.665 2.722 34.194 1.00 7.80 C ATOM 1804 O ARG B 39 5.925 3.566 33.712 1.00 8.09 O ATOM 1805 CB ARG B 39 4.840 1.725 35.618 1.00 10.43 C ATOM 1806 CG ARG B 39 4.096 0.484 36.040 1.00 13.16 C ATOM 1807 CD ARG B 39 4.226 0.091 37.484 1.00 15.35 C ATOM 1808 NE ARG B 39 3.998 1.193 38.426 1.00 12.96 N ATOM 1809 CZ ARG B 39 4.556 1.239 39.624 1.00 13.25 C ATOM 1810 NH1 ARG B 39 5.338 0.233 40.038 1.00 15.41 N ATOM 1811 NH2 ARG B 39 4.339 2.283 40.401 1.00 12.96 N ATOM 1812 HE ARG B 39 3.371 1.971 38.139 1.00 0.00 H ATOM 1813 HH12 ARG B 39 5.777 0.269 40.980 1.00 0.00 H ATOM 1814 HH11 ARG B 39 5.506 -0.584 39.417 1.00 0.00 H ATOM 1815 HH22 ARG B 39 4.774 2.328 41.345 1.00 0.00 H ATOM 1816 HH21 ARG B 39 3.733 3.061 40.070 1.00 0.00 H ATOM 1817 H ARG B 39 7.216 0.726 36.458 1.00 0.00 H ATOM 1818 N MET B 40 8.009 2.862 34.200 1.00 6.85 N ATOM 1819 CA MET B 40 8.611 3.968 33.460 1.00 6.66 C ATOM 1820 C MET B 40 9.659 3.449 32.468 1.00 6.24 C ATOM 1821 O MET B 40 10.437 4.208 31.929 1.00 7.16 O ATOM 1822 CB MET B 40 9.114 5.063 34.408 1.00 7.33 C ATOM 1823 CG MET B 40 9.953 4.585 35.574 1.00 8.32 C ATOM 1824 SD MET B 40 11.577 3.922 35.160 1.00 9.17 S ATOM 1825 CE MET B 40 12.450 5.498 34.936 1.00 9.55 C ATOM 1826 H MET B 40 8.607 2.191 34.724 1.00 0.00 H ATOM 1827 N TYR B 41 9.596 2.144 32.181 1.00 6.48 N ATOM 1828 CA TYR B 41 10.368 1.541 31.101 1.00 7.38 C ATOM 1829 C TYR B 41 9.720 1.824 29.734 1.00 7.11 C ATOM 1830 O TYR B 41 8.475 1.766 29.571 1.00 5.74 O ATOM 1831 CB TYR B 41 10.431 0.031 31.238 1.00 8.24 C ATOM 1832 CG TYR B 41 11.216 -0.544 32.417 1.00 8.50 C ATOM 1833 CD1 TYR B 41 11.845 0.254 33.373 1.00 8.72 C ATOM 1834 CD2 TYR B 41 11.257 -1.922 32.599 1.00 11.20 C ATOM 1835 CE1 TYR B 41 12.512 -0.311 34.445 1.00 10.01 C ATOM 1836 CE2 TYR B 41 11.926 -2.501 33.666 1.00 12.31 C ATOM 1837 CZ TYR B 41 12.566 -1.703 34.581 1.00 11.29 C ATOM 1838 OH TYR B 41 13.230 -2.265 35.665 1.00 14.04 O ATOM 1839 HH TYR B 41 13.630 -1.545 36.215 1.00 0.00 H ATOM 1840 H TYR B 41 8.973 1.536 32.750 1.00 0.00 H ATOM 1841 N PHE B 42 10.578 2.154 28.764 1.00 7.51 N ATOM 1842 CA PHE B 42 10.151 2.348 27.378 1.00 7.39 C ATOM 1843 C PHE B 42 10.919 1.453 26.399 1.00 7.46 C ATOM 1844 O PHE B 42 11.985 0.903 26.727 1.00 8.24 O ATOM 1845 CB PHE B 42 10.366 3.832 26.996 1.00 7.26 C ATOM 1846 CG PHE B 42 9.419 4.744 27.693 1.00 6.62 C ATOM 1847 CD1 PHE B 42 8.178 5.021 27.127 1.00 7.52 C ATOM 1848 CD2 PHE B 42 9.731 5.300 28.932 1.00 6.96 C ATOM 1849 CE1 PHE B 42 7.261 5.819 27.784 1.00 7.12 C ATOM 1850 CE2 PHE B 42 8.820 6.119 29.598 1.00 6.70 C ATOM 1851 CZ PHE B 42 7.578 6.402 29.011 1.00 6.90 C ATOM 1852 H PHE B 42 11.583 2.277 29.002 1.00 0.00 H ATOM 1853 N GLN B 43 10.332 1.299 25.199 1.00 6.72 N ATOM 1854 CA GLN B 43 10.952 0.665 24.046 1.00 7.60 C ATOM 1855 C GLN B 43 10.685 1.550 22.841 1.00 7.93 C ATOM 1856 O GLN B 43 9.812 2.420 22.877 1.00 8.39 O ATOM 1857 CB GLN B 43 10.380 -0.731 23.820 1.00 10.08 C ATOM 1858 CG GLN B 43 10.912 -1.725 24.815 1.00 13.97 C ATOM 1859 CD GLN B 43 10.172 -3.060 24.906 1.00 16.08 C ATOM 1860 OE1 GLN B 43 10.584 -3.954 25.678 1.00 23.77 O ATOM 1861 NE2 GLN B 43 9.099 -3.208 24.168 1.00 14.70 N ATOM 1862 HE22 GLN B 43 8.790 -2.439 23.539 1.00 0.00 H ATOM 1863 HE21 GLN B 43 8.556 -4.094 24.211 1.00 0.00 H ATOM 1864 H GLN B 43 9.363 1.660 25.087 1.00 0.00 H ATOM 1865 N PHE B 44 11.466 1.365 21.791 1.00 7.66 N ATOM 1866 CA PHE B 44 11.280 2.148 20.587 1.00 7.98 C ATOM 1867 C PHE B 44 10.967 1.188 19.438 1.00 8.94 C ATOM 1868 O PHE B 44 11.727 0.248 19.181 1.00 10.31 O ATOM 1869 CB PHE B 44 12.511 2.990 20.297 1.00 7.89 C ATOM 1870 CG PHE B 44 12.340 3.936 19.172 1.00 7.49 C ATOM 1871 CD1 PHE B 44 11.529 5.037 19.301 1.00 7.48 C ATOM 1872 CD2 PHE B 44 13.037 3.768 17.979 1.00 9.71 C ATOM 1873 CE1 PHE B 44 11.388 5.965 18.290 1.00 6.88 C ATOM 1874 CE2 PHE B 44 12.871 4.683 16.949 1.00 10.16 C ATOM 1875 CZ PHE B 44 12.086 5.786 17.106 1.00 8.03 C ATOM 1876 H PHE B 44 12.221 0.651 21.830 1.00 0.00 H ATOM 1877 N ASP B 45 9.825 1.405 18.795 1.00 8.69 N ATOM 1878 CA ASP B 45 9.349 0.555 17.685 1.00 9.07 C ATOM 1879 C ASP B 45 9.590 1.314 16.385 1.00 7.92 C ATOM 1880 O ASP B 45 8.899 2.289 16.072 1.00 8.36 O ATOM 1881 CB ASP B 45 7.874 0.216 17.874 1.00 10.20 C ATOM 1882 CG ASP B 45 7.634 -0.765 19.009 1.00 12.33 C ATOM 1883 OD1 ASP B 45 8.600 -1.436 19.495 1.00 15.76 O ATOM 1884 OD2 ASP B 45 6.449 -0.893 19.404 1.00 16.05 O ATOM 1885 H ASP B 45 9.238 2.212 19.087 1.00 0.00 H ATOM 1886 N VAL B 46 10.608 0.872 15.642 1.00 8.57 N ATOM 1887 CA VAL B 46 10.975 1.538 14.406 1.00 8.32 C ATOM 1888 C VAL B 46 9.888 1.368 13.344 1.00 8.46 C ATOM 1889 O VAL B 46 9.404 0.250 13.107 1.00 10.87 O ATOM 1890 CB VAL B 46 12.319 1.018 13.857 1.00 9.67 C ATOM 1891 CG1 VAL B 46 12.631 1.629 12.483 1.00 11.92 C ATOM 1892 CG2 VAL B 46 13.442 1.290 14.854 1.00 11.18 C ATOM 1893 H VAL B 46 11.146 0.038 15.954 1.00 0.00 H ATOM 1894 N VAL B 47 9.549 2.477 12.691 1.00 7.82 N ATOM 1895 CA VAL B 47 8.576 2.508 11.601 1.00 9.93 C ATOM 1896 C VAL B 47 9.253 2.785 10.268 1.00 10.48 C ATOM 1897 O VAL B 47 8.950 2.132 9.241 1.00 13.61 O ATOM 1898 CB VAL B 47 7.465 3.552 11.875 1.00 10.71 C ATOM 1899 CG1 VAL B 47 6.545 3.730 10.662 1.00 12.61 C ATOM 1900 CG2 VAL B 47 6.687 3.124 13.114 1.00 11.91 C ATOM 1901 H VAL B 47 10.001 3.370 12.972 1.00 0.00 H ATOM 1902 N ASP B 48 10.125 3.780 10.253 1.00 10.29 N ATOM 1903 CA ASP B 48 10.737 4.227 9.000 1.00 11.86 C ATOM 1904 C ASP B 48 12.082 4.842 9.311 1.00 10.05 C ATOM 1905 O ASP B 48 12.138 6.042 9.607 1.00 10.58 O ATOM 1906 CB ASP B 48 9.802 5.241 8.296 1.00 15.78 C ATOM 1907 CG ASP B 48 10.422 5.908 7.063 1.00 20.90 C ATOM 1908 OD1 ASP B 48 11.299 5.304 6.385 1.00 23.13 O ATOM 1909 OD2 ASP B 48 9.964 7.049 6.734 1.00 27.98 O ATOM 1910 H ASP B 48 10.380 4.252 11.144 1.00 0.00 H ATOM 1911 N GLU B 49 13.151 4.029 9.205 1.00 10.16 N ATOM 1912 CA GLU B 49 14.521 4.472 9.472 1.00 10.72 C ATOM 1913 C GLU B 49 14.622 5.119 10.874 1.00 9.46 C ATOM 1914 O GLU B 49 14.534 4.396 11.891 1.00 11.27 O ATOM 1915 CB GLU B 49 15.055 5.358 8.308 1.00 11.12 C ATOM 1916 CG GLU B 49 16.531 5.744 8.400 1.00 9.86 C ATOM 1917 CD GLU B 49 16.793 7.232 8.546 1.00 8.84 C ATOM 1918 OE1 GLU B 49 15.856 8.026 8.772 1.00 9.87 O ATOM 1919 OE2 GLU B 49 17.987 7.606 8.490 1.00 10.22 O ATOM 1920 H GLU B 49 12.996 3.041 8.920 1.00 0.00 H ATOM 1921 N ARG B 50 14.805 6.432 10.975 1.00 7.90 N ATOM 1922 CA ARG B 50 14.946 7.047 12.299 1.00 7.33 C ATOM 1923 C ARG B 50 13.616 7.158 13.056 1.00 7.32 C ATOM 1924 O ARG B 50 13.624 7.365 14.288 1.00 7.70 O ATOM 1925 CB ARG B 50 15.568 8.456 12.214 1.00 7.82 C ATOM 1926 CG ARG B 50 14.694 9.510 11.527 1.00 8.01 C ATOM 1927 CD ARG B 50 15.468 10.768 11.131 1.00 9.02 C ATOM 1928 NE ARG B 50 16.446 10.373 10.139 1.00 8.54 N ATOM 1929 CZ ARG B 50 17.604 10.969 9.893 1.00 9.48 C ATOM 1930 NH1 ARG B 50 17.974 12.084 10.516 1.00 9.61 N ATOM 1931 NH2 ARG B 50 18.415 10.412 8.986 1.00 10.32 N ATOM 1932 HE ARG B 50 16.217 9.539 9.562 1.00 0.00 H ATOM 1933 HH12 ARG B 50 18.891 12.523 10.296 1.00 0.00 H ATOM 1934 HH11 ARG B 50 17.346 12.517 11.223 1.00 0.00 H ATOM 1935 HH22 ARG B 50 19.331 10.852 8.768 1.00 0.00 H ATOM 1936 HH21 ARG B 50 18.129 9.539 8.499 1.00 0.00 H ATOM 1937 H ARG B 50 14.848 7.021 10.119 1.00 0.00 H ATOM 1938 N TRP B 51 12.508 7.120 12.309 1.00 6.83 N ATOM 1939 CA TRP B 51 11.184 7.442 12.858 1.00 7.69 C ATOM 1940 C TRP B 51 10.524 6.224 13.444 1.00 7.64 C ATOM 1941 O TRP B 51 10.532 5.158 12.833 1.00 7.51 O ATOM 1942 CB TRP B 51 10.290 8.083 11.779 1.00 8.06 C ATOM 1943 CG TRP B 51 10.884 9.304 11.232 1.00 8.72 C ATOM 1944 CD1 TRP B 51 11.402 9.454 9.995 1.00 9.69 C ATOM 1945 CD2 TRP B 51 11.084 10.568 11.920 1.00 8.62 C ATOM 1946 NE1 TRP B 51 11.920 10.718 9.851 1.00 11.81 N ATOM 1947 CE2 TRP B 51 11.736 11.427 11.013 1.00 9.81 C ATOM 1948 CE3 TRP B 51 10.756 11.049 13.200 1.00 8.91 C ATOM 1949 CZ2 TRP B 51 12.094 12.746 11.343 1.00 10.49 C ATOM 1950 CZ3 TRP B 51 11.101 12.355 13.523 1.00 10.53 C ATOM 1951 CH2 TRP B 51 11.746 13.190 12.588 1.00 11.11 C ATOM 1952 HE1 TRP B 51 12.381 11.083 8.993 1.00 0.00 H ATOM 1953 H TRP B 51 12.586 6.854 11.307 1.00 0.00 H ATOM 1954 N GLY B 52 9.886 6.399 14.597 1.00 7.60 N ATOM 1955 CA GLY B 52 9.213 5.293 15.238 1.00 6.82 C ATOM 1956 C GLY B 52 8.342 5.742 16.369 1.00 7.07 C ATOM 1957 O GLY B 52 8.204 6.953 16.630 1.00 7.39 O ATOM 1958 H GLY B 52 9.871 7.339 15.041 1.00 0.00 H ATOM 1959 N TYR B 53 7.801 4.751 17.067 1.00 6.40 N ATOM 1960 CA TYR B 53 6.935 4.978 18.211 1.00 7.10 C ATOM 1961 C TYR B 53 7.705 4.732 19.510 1.00 7.59 C ATOM 1962 O TYR B 53 8.386 3.733 19.638 1.00 7.14 O ATOM 1963 CB TYR B 53 5.712 4.051 18.179 1.00 7.39 C ATOM 1964 CG TYR B 53 4.886 4.071 16.916 1.00 7.21 C ATOM 1965 CD1 TYR B 53 4.434 5.265 16.363 1.00 6.95 C ATOM 1966 CD2 TYR B 53 4.553 2.888 16.279 1.00 7.92 C ATOM 1967 CE1 TYR B 53 3.684 5.272 15.205 1.00 8.59 C ATOM 1968 CE2 TYR B 53 3.769 2.895 15.143 1.00 8.84 C ATOM 1969 CZ TYR B 53 3.361 4.074 14.596 1.00 8.88 C ATOM 1970 OH TYR B 53 2.585 4.095 13.444 1.00 13.79 O ATOM 1971 HH TYR B 53 2.387 5.033 13.198 1.00 0.00 H ATOM 1972 H TYR B 53 8.006 3.772 16.783 1.00 0.00 H ATOM 1973 N ILE B 54 7.552 5.649 20.463 1.00 7.16 N ATOM 1974 CA ILE B 54 8.099 5.500 21.814 1.00 5.87 C ATOM 1975 C ILE B 54 7.029 4.826 22.672 1.00 5.84 C ATOM 1976 O ILE B 54 6.005 5.416 22.981 1.00 7.13 O ATOM 1977 CB ILE B 54 8.470 6.870 22.406 1.00 6.91 C ATOM 1978 CG1 ILE B 54 9.380 7.666 21.461 1.00 7.26 C ATOM 1979 CG2 ILE B 54 9.155 6.659 23.760 1.00 7.29 C ATOM 1980 CD1 ILE B 54 9.553 9.111 21.890 1.00 8.87 C ATOM 1981 H ILE B 54 7.018 6.513 20.238 1.00 0.00 H ATOM 1982 N LYS B 55 7.252 3.552 22.983 1.00 6.03 N ATOM 1983 CA LYS B 55 6.257 2.737 23.646 1.00 6.20 C ATOM 1984 C LYS B 55 6.500 2.543 25.132 1.00 6.50 C ATOM 1985 O LYS B 55 7.576 2.154 25.556 1.00 7.38 O ATOM 1986 CB LYS B 55 6.169 1.384 22.963 1.00 6.98 C ATOM 1987 CG LYS B 55 5.039 0.518 23.483 1.00 8.82 C ATOM 1988 CD LYS B 55 4.801 -0.690 22.591 1.00 12.67 C ATOM 1989 CE LYS B 55 5.985 -1.608 22.542 1.00 16.74 C ATOM 1990 NZ LYS B 55 5.759 -2.577 21.386 1.00 20.25 N ATOM 1991 HZ1 LYS B 55 4.885 -3.116 21.553 1.00 0.00 H ATOM 1992 HZ2 LYS B 55 5.674 -2.042 20.498 1.00 0.00 H ATOM 1993 HZ3 LYS B 55 6.564 -3.232 21.322 1.00 0.00 H ATOM 1994 H LYS B 55 8.171 3.128 22.742 1.00 0.00 H ATOM 1995 N HIS B 56 5.460 2.822 25.921 1.00 6.99 N ATOM 1996 CA HIS B 56 5.435 2.551 27.355 1.00 6.47 C ATOM 1997 C HIS B 56 5.296 1.059 27.515 1.00 6.15 C ATOM 1998 O HIS B 56 4.274 0.500 27.133 1.00 8.13 O ATOM 1999 CB HIS B 56 4.221 3.265 27.916 1.00 7.69 C ATOM 2000 CG HIS B 56 4.058 3.121 29.379 1.00 7.89 C ATOM 2001 ND1 HIS B 56 2.897 2.650 29.949 1.00 7.89 N ATOM 2002 CD2 HIS B 56 4.890 3.418 30.403 1.00 7.92 C ATOM 2003 CE1 HIS B 56 3.022 2.656 31.259 1.00 7.97 C ATOM 2004 NE2 HIS B 56 4.220 3.095 31.562 1.00 7.71 N ATOM 2005 H HIS B 56 4.620 3.257 25.489 1.00 0.00 H ATOM 2006 N VAL B 57 6.311 0.389 28.069 1.00 5.77 N ATOM 2007 CA VAL B 57 6.320 -1.076 28.041 1.00 7.39 C ATOM 2008 C VAL B 57 5.127 -1.651 28.820 1.00 7.69 C ATOM 2009 O VAL B 57 4.485 -2.629 28.372 1.00 9.44 O ATOM 2010 CB VAL B 57 7.668 -1.661 28.562 1.00 8.97 C ATOM 2011 CG1 VAL B 57 7.646 -3.184 28.659 1.00 10.73 C ATOM 2012 CG2 VAL B 57 8.810 -1.214 27.666 1.00 9.75 C ATOM 2013 H VAL B 57 7.093 0.906 28.519 1.00 0.00 H ATOM 2014 N ALA B 58 4.817 -1.075 29.980 1.00 7.76 N ATOM 2015 CA ALA B 58 3.801 -1.697 30.862 1.00 8.63 C ATOM 2016 C ALA B 58 2.410 -1.763 30.212 1.00 8.73 C ATOM 2017 O ALA B 58 1.704 -2.756 30.375 1.00 10.17 O ATOM 2018 CB ALA B 58 3.720 -0.990 32.204 1.00 9.82 C ATOM 2019 H ALA B 58 5.286 -0.192 30.266 1.00 0.00 H ATOM 2020 N SER B 59 2.067 -0.730 29.443 1.00 7.82 N ATOM 2021 CA SER B 59 0.700 -0.588 28.876 1.00 8.06 C ATOM 2022 C SER B 59 0.626 -0.847 27.391 1.00 7.66 C ATOM 2023 O SER B 59 -0.469 -1.101 26.852 1.00 9.62 O ATOM 2024 CB SER B 59 0.177 0.819 29.164 1.00 8.84 C ATOM 2025 OG SER B 59 0.821 1.782 28.374 1.00 8.95 O ATOM 2026 HG SER B 59 1.793 1.765 28.562 1.00 0.00 H ATOM 2027 H SER B 59 2.778 -0.000 29.233 1.00 0.00 H ATOM 2028 N GLY B 60 1.747 -0.672 26.690 1.00 7.68 N ATOM 2029 CA GLY B 60 1.737 -0.694 25.210 1.00 7.52 C ATOM 2030 C GLY B 60 1.260 0.599 24.543 1.00 7.86 C ATOM 2031 O GLY B 60 1.249 0.700 23.294 1.00 9.99 O ATOM 2032 H GLY B 60 2.644 -0.517 27.192 1.00 0.00 H ATOM 2033 N LYS B 61 0.838 1.581 25.341 1.00 5.75 N ATOM 2034 CA LYS B 61 0.535 2.892 24.791 1.00 6.99 C ATOM 2035 C LYS B 61 1.827 3.577 24.352 1.00 6.29 C ATOM 2036 O LYS B 61 2.905 3.242 24.825 1.00 7.46 O ATOM 2037 CB LYS B 61 -0.245 3.731 25.802 1.00 7.83 C ATOM 2038 CG LYS B 61 -1.629 3.163 26.091 1.00 9.30 C ATOM 2039 CD LYS B 61 -2.565 4.158 26.731 1.00 10.24 C ATOM 2040 CE LYS B 61 -3.958 3.632 27.004 1.00 12.96 C ATOM 2041 NZ LYS B 61 -3.982 2.476 27.929 1.00 15.48 N ATOM 2042 HZ1 LYS B 61 -3.428 1.696 27.521 1.00 0.00 H ATOM 2043 HZ2 LYS B 61 -3.570 2.755 28.842 1.00 0.00 H ATOM 2044 HZ3 LYS B 61 -4.965 2.168 28.071 1.00 0.00 H ATOM 2045 H LYS B 61 0.725 1.408 26.360 1.00 0.00 H ATOM 2046 N ILE B 62 1.704 4.585 23.505 1.00 6.51 N ATOM 2047 CA ILE B 62 2.851 5.274 22.935 1.00 5.96 C ATOM 2048 C ILE B 62 2.747 6.778 23.182 1.00 6.23 C ATOM 2049 O ILE B 62 1.674 7.310 23.520 1.00 6.12 O ATOM 2050 CB ILE B 62 3.077 4.963 21.452 1.00 6.28 C ATOM 2051 CG1 ILE B 62 1.923 5.473 20.594 1.00 6.37 C ATOM 2052 CG2 ILE B 62 3.258 3.453 21.271 1.00 7.08 C ATOM 2053 CD1 ILE B 62 2.264 5.406 19.106 1.00 7.25 C ATOM 2054 H ILE B 62 0.749 4.897 23.236 1.00 0.00 H ATOM 2055 N VAL B 63 3.863 7.447 23.028 1.00 5.86 N ATOM 2056 CA VAL B 63 3.974 8.883 23.233 1.00 5.58 C ATOM 2057 C VAL B 63 3.325 9.642 22.076 1.00 6.33 C ATOM 2058 O VAL B 63 3.560 9.321 20.894 1.00 7.35 O ATOM 2059 CB VAL B 63 5.446 9.319 23.383 1.00 6.33 C ATOM 2060 CG1 VAL B 63 5.616 10.820 23.559 1.00 6.63 C ATOM 2061 CG2 VAL B 63 6.132 8.634 24.547 1.00 7.31 C ATOM 2062 H VAL B 63 4.715 6.923 22.744 1.00 0.00 H ATOM 2063 N HIS B 64 2.557 10.676 22.424 1.00 6.23 N ATOM 2064 CA HIS B 64 1.924 11.567 21.446 1.00 6.57 C ATOM 2065 C HIS B 64 2.026 13.000 21.937 1.00 6.92 C ATOM 2066 O HIS B 64 1.968 13.253 23.136 1.00 7.03 O ATOM 2067 CB HIS B 64 0.399 11.311 21.370 1.00 6.86 C ATOM 2068 CG HIS B 64 -0.002 10.044 20.686 1.00 6.37 C ATOM 2069 ND1 HIS B 64 -0.797 10.026 19.552 1.00 8.36 N ATOM 2070 CD2 HIS B 64 0.181 8.769 21.034 1.00 6.12 C ATOM 2071 CE1 HIS B 64 -1.017 8.777 19.202 1.00 7.42 C ATOM 2072 NE2 HIS B 64 -0.434 7.993 20.081 1.00 6.94 N ATOM 2073 H HIS B 64 2.400 10.859 23.436 1.00 0.00 H ATOM 2074 N PRO B 65 2.054 13.947 20.996 1.00 7.52 N ATOM 2075 CA PRO B 65 1.647 15.281 21.368 1.00 8.52 C ATOM 2076 C PRO B 65 0.123 15.313 21.589 1.00 8.09 C ATOM 2077 O PRO B 65 -0.635 14.732 20.796 1.00 9.07 O ATOM 2078 CB PRO B 65 2.058 16.099 20.164 1.00 9.47 C ATOM 2079 CG PRO B 65 1.882 15.184 19.018 1.00 10.04 C ATOM 2080 CD PRO B 65 2.162 13.794 19.527 1.00 8.66 C ATOM 2081 N TYR B 66 -0.324 15.946 22.672 1.00 8.01 N ATOM 2082 CA TYR B 66 -1.748 15.978 22.962 1.00 8.59 C ATOM 2083 C TYR B 66 -2.506 16.558 21.775 1.00 9.81 C ATOM 2084 O TYR B 66 -2.204 17.663 21.342 1.00 11.35 O ATOM 2085 CB TYR B 66 -2.011 16.799 24.210 1.00 9.90 C ATOM 2086 CG TYR B 66 -3.477 16.877 24.606 1.00 12.75 C ATOM 2087 CD1 TYR B 66 -4.164 15.746 25.014 1.00 12.14 C ATOM 2088 CD2 TYR B 66 -4.163 18.087 24.566 1.00 17.04 C ATOM 2089 CE1 TYR B 66 -5.501 15.817 25.394 1.00 17.05 C ATOM 2090 CE2 TYR B 66 -5.498 18.169 24.952 1.00 21.05 C ATOM 2091 CZ TYR B 66 -6.162 17.022 25.352 1.00 18.70 C ATOM 2092 OH TYR B 66 -7.494 17.089 25.730 1.00 24.68 O ATOM 2093 HH TYR B 66 -7.810 16.186 25.984 1.00 0.00 H ATOM 2094 H TYR B 66 0.347 16.418 23.311 1.00 0.00 H ATOM 2095 N GLY B 67 -3.491 15.816 21.271 1.00 11.40 N ATOM 2096 CA GLY B 67 -4.287 16.287 20.107 1.00 11.69 C ATOM 2097 C GLY B 67 -3.800 15.730 18.777 1.00 10.46 C ATOM 2098 O GLY B 67 -4.491 15.844 17.784 1.00 11.21 O ATOM 2099 H GLY B 67 -3.707 14.893 21.699 1.00 0.00 H ATOM 2100 N GLY B 68 -2.601 15.156 18.751 1.00 9.95 N ATOM 2101 CA GLY B 68 -2.122 14.439 17.561 1.00 9.64 C ATOM 2102 C GLY B 68 -1.974 15.293 16.315 1.00 9.82 C ATOM 2103 O GLY B 68 -2.241 14.834 15.214 1.00 11.59 O ATOM 2104 H GLY B 68 -1.990 15.216 19.590 1.00 0.00 H ATOM 2105 N GLN B 69 -1.552 16.539 16.487 1.00 10.56 N ATOM 2106 CA GLN B 69 -1.302 17.399 15.314 1.00 9.94 C ATOM 2107 C GLN B 69 0.008 17.029 14.609 1.00 9.65 C ATOM 2108 O GLN B 69 0.964 16.598 15.242 1.00 9.96 O ATOM 2109 CB GLN B 69 -1.268 18.870 15.704 1.00 11.18 C ATOM 2110 CG GLN B 69 -2.535 19.375 16.330 1.00 12.03 C ATOM 2111 CD GLN B 69 -2.339 20.610 17.206 1.00 14.31 C ATOM 2112 OE1 GLN B 69 -1.622 20.585 18.219 1.00 16.32 O ATOM 2113 NE2 GLN B 69 -2.969 21.704 16.806 1.00 18.44 N ATOM 2114 HE22 GLN B 69 -3.560 21.680 15.951 1.00 0.00 H ATOM 2115 HE21 GLN B 69 -2.873 22.587 17.347 1.00 0.00 H ATOM 2116 H GLN B 69 -1.398 16.909 17.447 1.00 0.00 H ATOM 2117 N ALA B 70 0.071 17.255 13.292 1.00 10.47 N ATOM 2118 CA ALA B 70 1.299 17.057 12.561 1.00 11.03 C ATOM 2119 C ALA B 70 2.357 18.066 12.954 1.00 10.43 C ATOM 2120 O ALA B 70 3.559 17.728 13.012 1.00 11.95 O ATOM 2121 CB ALA B 70 1.029 17.107 11.055 1.00 14.54 C ATOM 2122 H ALA B 70 -0.779 17.579 12.787 1.00 0.00 H ATOM 2123 N ASN B 71 1.912 19.288 13.243 1.00 9.39 N ATOM 2124 CA ASN B 71 2.793 20.416 13.662 1.00 10.09 C ATOM 2125 C ASN B 71 2.310 21.009 14.994 1.00 10.38 C ATOM 2126 O ASN B 71 1.787 22.155 15.050 1.00 12.24 O ATOM 2127 CB ASN B 71 2.805 21.477 12.559 1.00 13.75 C ATOM 2128 CG ASN B 71 3.570 20.997 11.320 1.00 16.80 C ATOM 2129 OD1 ASN B 71 4.741 20.600 11.398 1.00 23.96 O ATOM 2130 ND2 ASN B 71 2.912 20.973 10.216 1.00 24.31 N ATOM 2131 HD22 ASN B 71 1.930 21.315 10.188 1.00 0.00 H ATOM 2132 HD21 ASN B 71 3.362 20.612 9.350 1.00 0.00 H ATOM 2133 H ASN B 71 0.890 19.466 13.172 1.00 0.00 H ATOM 2134 N PRO B 72 2.471 20.239 16.089 1.00 10.94 N ATOM 2135 CA PRO B 72 2.007 20.742 17.383 1.00 9.96 C ATOM 2136 C PRO B 72 2.716 22.041 17.756 1.00 10.59 C ATOM 2137 O PRO B 72 3.923 22.161 17.547 1.00 11.55 O ATOM 2138 CB PRO B 72 2.375 19.627 18.350 1.00 10.31 C ATOM 2139 CG PRO B 72 3.508 18.890 17.651 1.00 10.57 C ATOM 2140 CD PRO B 72 3.121 18.919 16.209 1.00 9.51 C ATOM 2141 N PRO B 73 1.970 23.016 18.279 1.00 10.70 N ATOM 2142 CA PRO B 73 2.667 24.255 18.656 1.00 11.27 C ATOM 2143 C PRO B 73 3.482 24.087 19.909 1.00 10.19 C ATOM 2144 O PRO B 73 3.308 23.117 20.693 1.00 10.43 O ATOM 2145 CB PRO B 73 1.553 25.273 18.893 1.00 13.46 C ATOM 2146 CG PRO B 73 0.299 24.507 18.970 1.00 15.52 C ATOM 2147 CD PRO B 73 0.507 23.136 18.365 1.00 12.50 C ATOM 2148 N ASN B 74 4.379 25.021 20.101 1.00 11.30 N ATOM 2149 CA ASN B 74 5.145 25.068 21.332 1.00 10.35 C ATOM 2150 C ASN B 74 4.157 25.000 22.534 1.00 10.97 C ATOM 2151 O ASN B 74 3.032 25.574 22.480 1.00 12.48 O ATOM 2152 CB ASN B 74 5.947 26.365 21.398 1.00 11.34 C ATOM 2153 CG ASN B 74 7.148 26.378 20.463 1.00 10.47 C ATOM 2154 OD1 ASN B 74 7.625 25.342 20.002 1.00 10.46 O ATOM 2155 ND2 ASN B 74 7.637 27.565 20.178 1.00 12.49 N ATOM 2156 HD22 ASN B 74 7.205 28.418 20.588 1.00 0.00 H ATOM 2157 HD21 ASN B 74 8.456 27.651 19.542 1.00 0.00 H ATOM 2158 H ASN B 74 4.544 25.736 19.364 1.00 0.00 H ATOM 2159 N GLU B 75 4.589 24.289 23.583 1.00 10.34 N ATOM 2160 CA GLU B 75 3.836 24.088 24.837 1.00 11.24 C ATOM 2161 C GLU B 75 2.759 23.010 24.803 1.00 11.95 C ATOM 2162 O GLU B 75 2.084 22.788 25.809 1.00 11.96 O ATOM 2163 CB GLU B 75 3.227 25.391 25.411 1.00 13.38 C ATOM 2164 CG GLU B 75 4.237 26.497 25.665 1.00 17.92 C ATOM 2165 CD GLU B 75 5.336 26.070 26.648 1.00 21.27 C ATOM 2166 OE1 GLU B 75 5.030 25.555 27.734 1.00 27.38 O ATOM 2167 OE2 GLU B 75 6.503 26.241 26.343 1.00 23.29 O ATOM 2168 H GLU B 75 5.526 23.844 23.509 1.00 0.00 H ATOM 2169 N THR B 76 2.589 22.340 23.667 1.00 10.86 N ATOM 2170 CA THR B 76 1.646 21.210 23.606 1.00 9.70 C ATOM 2171 C THR B 76 2.121 20.130 24.558 1.00 8.34 C ATOM 2172 O THR B 76 3.275 19.767 24.523 1.00 9.44 O ATOM 2173 CB THR B 76 1.565 20.663 22.189 1.00 9.64 C ATOM 2174 OG1 THR B 76 1.086 21.693 21.338 1.00 9.65 O ATOM 2175 CG2 THR B 76 0.654 19.478 22.071 1.00 10.74 C ATOM 2176 HG1 THR B 76 1.709 22.462 21.370 1.00 0.00 H ATOM 2177 H THR B 76 3.124 22.615 22.818 1.00 0.00 H ATOM 2178 N ASN B 77 1.236 19.638 25.411 1.00 8.19 N ATOM 2179 CA ASN B 77 1.588 18.592 26.348 1.00 9.19 C ATOM 2180 C ASN B 77 1.911 17.258 25.677 1.00 8.35 C ATOM 2181 O ASN B 77 1.286 16.895 24.683 1.00 9.04 O ATOM 2182 CB ASN B 77 0.443 18.351 27.352 1.00 10.04 C ATOM 2183 CG ASN B 77 0.408 19.390 28.442 1.00 12.32 C ATOM 2184 OD1 ASN B 77 -0.198 20.451 28.281 1.00 13.80 O ATOM 2185 ND2 ASN B 77 1.111 19.121 29.534 1.00 14.28 N ATOM 2186 HD22 ASN B 77 1.605 18.210 29.623 1.00 0.00 H ATOM 2187 HD21 ASN B 77 1.168 19.821 30.301 1.00 0.00 H ATOM 2188 H ASN B 77 0.265 20.012 25.408 1.00 0.00 H ATOM 2189 N MET B 78 2.904 16.557 26.235 1.00 6.36 N ATOM 2190 CA MET B 78 3.160 15.167 25.850 1.00 7.34 C ATOM 2191 C MET B 78 2.260 14.255 26.674 1.00 7.02 C ATOM 2192 O MET B 78 2.116 14.453 27.889 1.00 7.65 O ATOM 2193 CB MET B 78 4.617 14.762 26.099 1.00 7.32 C ATOM 2194 CG MET B 78 5.650 15.642 25.432 1.00 7.96 C ATOM 2195 SD MET B 78 5.329 16.090 23.699 1.00 10.32 S ATOM 2196 CE MET B 78 5.332 14.470 22.996 1.00 9.26 C ATOM 2197 H MET B 78 3.505 17.007 26.955 1.00 0.00 H ATOM 2198 N VAL B 79 1.691 13.243 26.020 1.00 7.06 N ATOM 2199 CA VAL B 79 0.835 12.275 26.680 1.00 6.52 C ATOM 2200 C VAL B 79 1.068 10.891 26.158 1.00 5.79 C ATOM 2201 O VAL B 79 1.775 10.720 25.148 1.00 7.28 O ATOM 2202 CB VAL B 79 -0.667 12.607 26.430 1.00 6.90 C ATOM 2203 CG1 VAL B 79 -0.991 13.980 26.963 1.00 7.95 C ATOM 2204 CG2 VAL B 79 -1.050 12.503 24.959 1.00 7.50 C ATOM 2205 H VAL B 79 1.867 13.143 25.000 1.00 0.00 H ATOM 2206 N LEU B 80 0.512 9.895 26.828 1.00 5.19 N ATOM 2207 CA LEU B 80 0.393 8.548 26.257 1.00 5.24 C ATOM 2208 C LEU B 80 -0.986 8.354 25.626 1.00 5.79 C ATOM 2209 O LEU B 80 -1.996 8.818 26.139 1.00 7.83 O ATOM 2210 CB LEU B 80 0.615 7.479 27.337 1.00 5.76 C ATOM 2211 CG LEU B 80 2.038 7.398 27.875 1.00 6.27 C ATOM 2212 CD1 LEU B 80 2.048 6.396 29.040 1.00 8.72 C ATOM 2213 CD2 LEU B 80 3.030 6.985 26.800 1.00 8.06 C ATOM 2214 H LEU B 80 0.149 10.071 27.786 1.00 0.00 H ATOM 2215 N HIS B 81 -1.004 7.586 24.547 1.00 6.54 N ATOM 2216 CA HIS B 81 -2.234 7.251 23.871 1.00 6.06 C ATOM 2217 C HIS B 81 -2.057 5.936 23.115 1.00 5.03 C ATOM 2218 O HIS B 81 -0.923 5.655 22.618 1.00 5.88 O ATOM 2219 CB HIS B 81 -2.690 8.401 22.950 1.00 7.58 C ATOM 2220 CG HIS B 81 -4.151 8.388 22.586 1.00 8.33 C ATOM 2221 ND1 HIS B 81 -4.710 7.462 21.735 1.00 9.20 N ATOM 2222 CD2 HIS B 81 -5.159 9.209 22.942 1.00 9.66 C ATOM 2223 CE1 HIS B 81 -5.992 7.723 21.572 1.00 8.49 C ATOM 2224 NE2 HIS B 81 -6.288 8.780 22.300 1.00 9.24 N ATOM 2225 H HIS B 81 -0.106 7.214 24.177 1.00 0.00 H ATOM 2226 N GLN B 82 -3.128 5.130 23.074 1.00 3.33 N ATOM 2227 CA GLN B 82 -3.097 3.957 22.362 1.00 6.43 C ATOM 2228 C GLN B 82 -2.929 3.965 20.846 1.00 3.90 C ATOM 2229 O GLN B 82 -2.410 3.079 20.200 1.00 3.05 O ATOM 2230 CB GLN B 82 -4.339 3.073 22.674 1.00 6.47 C ATOM 2231 CG GLN B 82 -4.155 1.591 22.319 1.00 6.70 C ATOM 2232 CD GLN B 82 -3.216 0.870 23.308 1.00 6.96 C ATOM 2233 OE1 GLN B 82 -2.056 0.777 23.079 1.00 6.99 O ATOM 2234 NE2 GLN B 82 -3.751 0.457 24.466 1.00 7.22 N ATOM 2235 HE22 GLN B 82 -4.773 0.555 24.631 1.00 0.00 H ATOM 2236 HE21 GLN B 82 -3.144 0.039 25.199 1.00 0.00 H ATOM 2237 H GLN B 82 -3.992 5.397 23.588 1.00 0.00 H ATOM 2238 N ASP B 83 -3.385 5.078 20.284 1.00 6.13 N ATOM 2239 CA ASP B 83 -3.428 5.223 18.799 1.00 7.40 C ATOM 2240 C ASP B 83 -2.041 5.179 18.131 1.00 7.15 C ATOM 2241 O ASP B 83 -1.056 5.679 18.677 1.00 8.28 O ATOM 2242 CB ASP B 83 -4.085 6.550 18.382 1.00 10.01 C ATOM 2243 CG ASP B 83 -5.586 6.569 18.571 1.00 9.47 C ATOM 2244 OD1 ASP B 83 -6.159 5.551 18.981 1.00 10.54 O ATOM 2245 OD2 ASP B 83 -6.172 7.644 18.281 1.00 9.43 O ATOM 2246 H ASP B 83 -3.716 5.859 20.886 1.00 0.00 H ATOM 2247 N ARG B 84 -1.979 4.557 16.956 1.00 8.13 N ATOM 2248 CA ARG B 84 -0.802 4.608 16.096 1.00 8.10 C ATOM 2249 C ARG B 84 -1.178 5.417 14.850 1.00 9.02 C ATOM 2250 O ARG B 84 -2.138 5.082 14.142 1.00 9.94 O ATOM 2251 CB ARG B 84 -0.321 3.227 15.678 1.00 9.24 C ATOM 2252 CG ARG B 84 0.656 2.593 16.657 1.00 10.15 C ATOM 2253 CD ARG B 84 0.047 2.237 18.014 1.00 10.19 C ATOM 2254 NE ARG B 84 0.970 1.372 18.747 1.00 10.20 N ATOM 2255 CZ ARG B 84 0.901 1.089 20.057 1.00 10.02 C ATOM 2256 NH1 ARG B 84 -0.037 1.623 20.813 1.00 9.71 N ATOM 2257 NH2 ARG B 84 1.828 0.279 20.595 1.00 10.77 N ATOM 2258 HE ARG B 84 1.746 0.939 18.207 1.00 0.00 H ATOM 2259 HH12 ARG B 84 -0.080 1.396 21.827 1.00 0.00 H ATOM 2260 HH11 ARG B 84 -0.735 2.272 20.396 1.00 0.00 H ATOM 2261 HH22 ARG B 84 1.792 0.048 21.608 1.00 0.00 H ATOM 2262 HH21 ARG B 84 2.582 -0.117 19.998 1.00 0.00 H ATOM 2263 H ARG B 84 -2.805 4.011 16.637 1.00 0.00 H ATOM 2264 N HIS B 85 -0.420 6.471 14.602 1.00 9.24 N ATOM 2265 CA HIS B 85 -0.512 7.233 13.356 1.00 10.19 C ATOM 2266 C HIS B 85 0.752 8.070 13.195 1.00 9.73 C ATOM 2267 O HIS B 85 1.641 8.082 14.095 1.00 9.11 O ATOM 2268 CB HIS B 85 -1.762 8.102 13.332 1.00 10.54 C ATOM 2269 CG HIS B 85 -1.946 8.956 14.541 1.00 10.02 C ATOM 2270 ND1 HIS B 85 -1.078 9.968 14.869 1.00 10.45 N ATOM 2271 CD2 HIS B 85 -2.925 8.984 15.474 1.00 10.18 C ATOM 2272 CE1 HIS B 85 -1.497 10.577 15.963 1.00 11.08 C ATOM 2273 NE2 HIS B 85 -2.631 10.001 16.341 1.00 11.48 N ATOM 2274 H HIS B 85 0.269 6.771 15.321 1.00 0.00 H ATOM 2275 N ASP B 86 0.861 8.788 12.086 1.00 9.69 N ATOM 2276 CA ASP B 86 2.134 9.436 11.775 1.00 10.53 C ATOM 2277 C ASP B 86 2.461 10.629 12.677 1.00 9.64 C ATOM 2278 O ASP B 86 3.606 11.143 12.659 1.00 11.53 O ATOM 2279 CB ASP B 86 2.163 9.918 10.329 1.00 14.07 C ATOM 2280 CG ASP B 86 2.357 8.806 9.352 1.00 18.63 C ATOM 2281 OD1 ASP B 86 2.575 7.650 9.770 1.00 22.99 O ATOM 2282 OD2 ASP B 86 2.281 9.089 8.134 1.00 29.69 O ATOM 2283 H ASP B 86 0.049 8.889 11.444 1.00 0.00 H ATOM 2284 N ARG B 87 1.483 11.095 13.440 1.00 8.82 N ATOM 2285 CA ARG B 87 1.744 12.199 14.366 1.00 9.07 C ATOM 2286 C ARG B 87 2.291 11.739 15.709 1.00 6.67 C ATOM 2287 O ARG B 87 2.549 12.575 16.573 1.00 7.70 O ATOM 2288 CB ARG B 87 0.511 13.084 14.539 1.00 8.94 C ATOM 2289 CG ARG B 87 0.001 13.654 13.213 1.00 10.76 C ATOM 2290 CD ARG B 87 -1.223 12.910 12.699 1.00 10.98 C ATOM 2291 NE ARG B 87 -1.734 13.486 11.443 1.00 13.66 N ATOM 2292 CZ ARG B 87 -2.532 14.540 11.348 1.00 14.35 C ATOM 2293 NH1 ARG B 87 -2.990 15.192 12.428 1.00 13.35 N ATOM 2294 NH2 ARG B 87 -2.877 14.950 10.138 1.00 18.96 N ATOM 2295 HE ARG B 87 -1.444 13.027 10.556 1.00 0.00 H ATOM 2296 HH12 ARG B 87 -3.615 16.015 12.312 1.00 0.00 H ATOM 2297 HH11 ARG B 87 -2.720 14.874 13.381 1.00 0.00 H ATOM 2298 HH22 ARG B 87 -3.502 15.774 10.027 1.00 0.00 H ATOM 2299 HH21 ARG B 87 -2.523 14.448 9.298 1.00 0.00 H ATOM 2300 H ARG B 87 0.532 10.678 13.381 1.00 0.00 H ATOM 2301 N ALA B 88 2.428 10.428 15.891 1.00 6.51 N ATOM 2302 CA ALA B 88 3.074 9.846 17.043 1.00 7.23 C ATOM 2303 C ALA B 88 4.487 9.359 16.689 1.00 7.21 C ATOM 2304 O ALA B 88 5.092 8.580 17.435 1.00 8.44 O ATOM 2305 CB ALA B 88 2.231 8.686 17.619 1.00 9.67 C ATOM 2306 H ALA B 88 2.049 9.788 15.164 1.00 0.00 H ATOM 2307 N LEU B 89 5.006 9.807 15.545 1.00 6.86 N ATOM 2308 CA LEU B 89 6.368 9.463 15.146 1.00 6.96 C ATOM 2309 C LEU B 89 7.378 10.396 15.776 1.00 6.72 C ATOM 2310 O LEU B 89 7.192 11.630 15.729 1.00 8.21 O ATOM 2311 CB LEU B 89 6.520 9.462 13.631 1.00 7.53 C ATOM 2312 CG LEU B 89 5.770 8.313 12.932 1.00 8.01 C ATOM 2313 CD1 LEU B 89 5.788 8.511 11.430 1.00 9.32 C ATOM 2314 CD2 LEU B 89 6.298 6.947 13.283 1.00 9.67 C ATOM 2315 H LEU B 89 4.430 10.412 14.926 1.00 0.00 H ATOM 2316 N PHE B 90 8.445 9.771 16.329 1.00 7.28 N ATOM 2317 CA PHE B 90 9.562 10.483 16.911 1.00 6.65 C ATOM 2318 C PHE B 90 10.868 9.852 16.438 1.00 7.03 C ATOM 2319 O PHE B 90 10.875 8.708 15.991 1.00 7.19 O ATOM 2320 CB PHE B 90 9.539 10.441 18.461 1.00 6.74 C ATOM 2321 CG PHE B 90 8.366 11.113 19.062 1.00 6.20 C ATOM 2322 CD1 PHE B 90 7.144 10.453 19.163 1.00 7.04 C ATOM 2323 CD2 PHE B 90 8.463 12.418 19.544 1.00 6.61 C ATOM 2324 CE1 PHE B 90 6.021 11.093 19.683 1.00 6.53 C ATOM 2325 CE2 PHE B 90 7.353 13.043 20.099 1.00 7.33 C ATOM 2326 CZ PHE B 90 6.125 12.384 20.145 1.00 7.15 C ATOM 2327 H PHE B 90 8.462 8.731 16.336 1.00 0.00 H ATOM 2328 N ALA B 91 11.955 10.605 16.560 1.00 7.48 N ATOM 2329 CA ALA B 91 13.315 10.113 16.348 1.00 7.80 C ATOM 2330 C ALA B 91 14.080 10.279 17.656 1.00 7.70 C ATOM 2331 O ALA B 91 13.976 11.312 18.343 1.00 8.37 O ATOM 2332 CB ALA B 91 13.991 10.871 15.211 1.00 8.55 C ATOM 2333 H ALA B 91 11.831 11.604 16.822 1.00 0.00 H ATOM 2334 N MET B 92 14.826 9.231 18.018 1.00 7.61 N ATOM 2335 CA MET B 92 15.610 9.204 19.237 1.00 8.01 C ATOM 2336 C MET B 92 17.060 9.563 18.921 1.00 7.99 C ATOM 2337 O MET B 92 17.870 8.706 18.567 1.00 8.70 O ATOM 2338 CB MET B 92 15.515 7.823 19.856 1.00 9.84 C ATOM 2339 CG MET B 92 14.087 7.356 20.025 1.00 11.27 C ATOM 2340 SD MET B 92 13.183 8.285 21.255 1.00 14.68 S ATOM 2341 CE MET B 92 13.785 7.402 22.699 1.00 17.41 C ATOM 2342 H MET B 92 14.845 8.397 17.397 1.00 0.00 H ATOM 2343 N ASP B 93 17.364 10.855 18.991 1.00 6.99 N ATOM 2344 CA ASP B 93 18.651 11.342 18.518 1.00 7.19 C ATOM 2345 C ASP B 93 19.690 11.192 19.606 1.00 7.21 C ATOM 2346 O ASP B 93 19.828 12.037 20.511 1.00 9.07 O ATOM 2347 CB ASP B 93 18.517 12.773 18.019 1.00 7.52 C ATOM 2348 CG ASP B 93 19.809 13.338 17.460 1.00 8.19 C ATOM 2349 OD1 ASP B 93 20.906 12.725 17.645 1.00 8.99 O ATOM 2350 OD2 ASP B 93 19.743 14.416 16.811 1.00 9.29 O ATOM 2351 H ASP B 93 16.675 11.525 19.388 1.00 0.00 H ATOM 2352 N PHE B 94 20.353 10.035 19.565 1.00 7.36 N ATOM 2353 CA PHE B 94 21.337 9.682 20.578 1.00 7.00 C ATOM 2354 C PHE B 94 22.705 10.277 20.300 1.00 8.00 C ATOM 2355 O PHE B 94 23.632 10.068 21.101 1.00 8.64 O ATOM 2356 CB PHE B 94 21.401 8.154 20.839 1.00 6.88 C ATOM 2357 CG PHE B 94 21.750 7.299 19.650 1.00 7.34 C ATOM 2358 CD1 PHE B 94 20.783 6.960 18.689 1.00 6.92 C ATOM 2359 CD2 PHE B 94 23.009 6.712 19.539 1.00 7.95 C ATOM 2360 CE1 PHE B 94 21.089 6.102 17.642 1.00 6.80 C ATOM 2361 CE2 PHE B 94 23.307 5.867 18.488 1.00 8.85 C ATOM 2362 CZ PHE B 94 22.364 5.588 17.531 1.00 8.02 C ATOM 2363 H PHE B 94 20.162 9.369 18.790 1.00 0.00 H ATOM 2364 N PHE B 95 22.809 11.082 19.227 1.00 7.69 N ATOM 2365 CA PHE B 95 24.036 11.807 18.931 1.00 8.07 C ATOM 2366 C PHE B 95 23.983 13.225 19.486 1.00 9.41 C ATOM 2367 O PHE B 95 24.910 13.657 20.163 1.00 11.15 O ATOM 2368 CB PHE B 95 24.317 11.763 17.436 1.00 8.95 C ATOM 2369 CG PHE B 95 24.737 10.402 16.963 1.00 8.74 C ATOM 2370 CD1 PHE B 95 26.068 10.030 17.038 1.00 10.39 C ATOM 2371 CD2 PHE B 95 23.813 9.466 16.512 1.00 8.99 C ATOM 2372 CE1 PHE B 95 26.481 8.773 16.662 1.00 11.33 C ATOM 2373 CE2 PHE B 95 24.216 8.204 16.126 1.00 10.17 C ATOM 2374 CZ PHE B 95 25.576 7.865 16.176 1.00 10.92 C ATOM 2375 H PHE B 95 21.992 11.189 18.593 1.00 0.00 H ATOM 2376 N ASN B 96 22.887 13.937 19.191 1.00 9.54 N ATOM 2377 CA ASN B 96 22.643 15.262 19.782 1.00 8.99 C ATOM 2378 C ASN B 96 21.921 15.219 21.138 1.00 8.24 C ATOM 2379 O ASN B 96 21.736 16.266 21.781 1.00 9.34 O ATOM 2380 CB ASN B 96 21.882 16.119 18.799 1.00 9.57 C ATOM 2381 CG ASN B 96 22.665 16.331 17.497 1.00 10.76 C ATOM 2382 OD1 ASN B 96 23.842 16.725 17.530 1.00 11.68 O ATOM 2383 ND2 ASN B 96 22.039 16.045 16.366 1.00 12.08 N ATOM 2384 HD22 ASN B 96 21.052 15.718 16.386 1.00 0.00 H ATOM 2385 HD21 ASN B 96 22.534 16.147 15.457 1.00 0.00 H ATOM 2386 H ASN B 96 22.191 13.543 18.527 1.00 0.00 H ATOM 2387 N ASP B 97 21.505 14.024 21.545 1.00 7.27 N ATOM 2388 CA ASP B 97 20.857 13.775 22.847 1.00 7.64 C ATOM 2389 C ASP B 97 19.521 14.521 22.957 1.00 6.96 C ATOM 2390 O ASP B 97 19.300 15.329 23.865 1.00 7.21 O ATOM 2391 CB ASP B 97 21.795 14.091 24.036 1.00 8.13 C ATOM 2392 CG ASP B 97 22.983 13.145 24.137 1.00 9.47 C ATOM 2393 OD1 ASP B 97 22.970 12.067 23.489 1.00 9.14 O ATOM 2394 OD2 ASP B 97 23.930 13.455 24.919 1.00 9.98 O ATOM 2395 H ASP B 97 21.645 13.215 20.907 1.00 0.00 H ATOM 2396 N ASN B 98 18.630 14.273 22.002 1.00 6.72 N ATOM 2397 CA ASN B 98 17.270 14.812 22.098 1.00 7.23 C ATOM 2398 C ASN B 98 16.241 13.873 21.503 1.00 6.93 C ATOM 2399 O ASN B 98 16.587 12.862 20.913 1.00 7.80 O ATOM 2400 CB ASN B 98 17.204 16.223 21.532 1.00 7.76 C ATOM 2401 CG ASN B 98 17.468 16.272 20.034 1.00 8.87 C ATOM 2402 OD1 ASN B 98 16.813 15.560 19.253 1.00 9.29 O ATOM 2403 ND2 ASN B 98 18.374 17.148 19.613 1.00 9.00 N ATOM 2404 HD22 ASN B 98 18.900 17.724 20.301 1.00 0.00 H ATOM 2405 HD21 ASN B 98 18.557 17.258 18.595 1.00 0.00 H ATOM 2406 H ASN B 98 18.899 13.693 21.182 1.00 0.00 H ATOM 2407 N ILE B 99 14.969 14.189 21.715 1.00 7.40 N ATOM 2408 CA ILE B 99 13.853 13.418 21.162 1.00 7.18 C ATOM 2409 C ILE B 99 13.042 14.391 20.301 1.00 6.83 C ATOM 2410 O ILE B 99 12.495 15.387 20.815 1.00 7.50 O ATOM 2411 CB ILE B 99 12.969 12.800 22.257 1.00 7.60 C ATOM 2412 CG1 ILE B 99 13.802 11.917 23.223 1.00 8.03 C ATOM 2413 CG2 ILE B 99 11.782 12.091 21.629 1.00 7.99 C ATOM 2414 CD1 ILE B 99 13.000 11.362 24.408 1.00 9.58 C ATOM 2415 H ILE B 99 14.755 15.022 22.300 1.00 0.00 H ATOM 2416 N MET B 100 13.017 14.135 18.991 1.00 7.12 N ATOM 2417 CA MET B 100 12.391 15.029 18.034 1.00 6.58 C ATOM 2418 C MET B 100 11.103 14.415 17.522 1.00 7.03 C ATOM 2419 O MET B 100 11.076 13.268 17.074 1.00 7.44 O ATOM 2420 CB MET B 100 13.338 15.340 16.850 1.00 7.16 C ATOM 2421 CG MET B 100 12.741 16.315 15.891 1.00 8.78 C ATOM 2422 SD MET B 100 13.554 16.528 14.322 1.00 13.95 S ATOM 2423 CE MET B 100 14.837 17.663 14.819 1.00 14.58 C ATOM 2424 H MET B 100 13.463 13.262 18.643 1.00 0.00 H ATOM 2425 N HIS B 101 10.039 15.186 17.590 1.00 6.58 N ATOM 2426 CA HIS B 101 8.787 14.803 16.936 1.00 7.04 C ATOM 2427 C HIS B 101 8.894 14.979 15.416 1.00 8.84 C ATOM 2428 O HIS B 101 9.645 15.835 14.942 1.00 9.20 O ATOM 2429 CB HIS B 101 7.675 15.667 17.519 1.00 7.49 C ATOM 2430 CG HIS B 101 6.331 15.394 16.936 1.00 7.77 C ATOM 2431 ND1 HIS B 101 5.750 16.240 16.030 1.00 8.51 N ATOM 2432 CD2 HIS B 101 5.450 14.384 17.127 1.00 7.52 C ATOM 2433 CE1 HIS B 101 4.558 15.787 15.694 1.00 8.67 C ATOM 2434 NE2 HIS B 101 4.363 14.646 16.327 1.00 9.04 N ATOM 2435 H HIS B 101 10.088 16.081 18.117 1.00 0.00 H ATOM 2436 N LYS B 102 8.103 14.206 14.663 1.00 9.27 N ATOM 2437 CA LYS B 102 8.104 14.247 13.189 1.00 9.76 C ATOM 2438 C LYS B 102 7.954 15.672 12.631 1.00 9.27 C ATOM 2439 O LYS B 102 8.489 15.988 11.588 1.00 11.39 O ATOM 2440 CB LYS B 102 6.971 13.323 12.710 1.00 12.61 C ATOM 2441 CG LYS B 102 6.948 12.980 11.244 1.00 16.70 C ATOM 2442 CD LYS B 102 8.266 12.352 10.871 1.00 18.23 C ATOM 2443 CE LYS B 102 8.167 11.426 9.679 1.00 24.28 C ATOM 2444 NZ LYS B 102 8.029 12.173 8.429 1.00 24.19 N ATOM 2445 HZ1 LYS B 102 7.167 12.754 8.467 1.00 0.00 H ATOM 2446 HZ2 LYS B 102 8.858 12.788 8.301 1.00 0.00 H ATOM 2447 HZ3 LYS B 102 7.964 11.506 7.634 1.00 0.00 H ATOM 2448 H LYS B 102 7.457 13.545 15.140 1.00 0.00 H ATOM 2449 N GLY B 103 7.238 16.554 13.328 1.00 9.31 N ATOM 2450 CA GLY B 103 7.100 17.960 12.892 1.00 10.29 C ATOM 2451 C GLY B 103 8.291 18.877 13.106 1.00 10.79 C ATOM 2452 O GLY B 103 8.255 20.063 12.701 1.00 14.99 O ATOM 2453 H GLY B 103 6.764 16.245 14.201 1.00 0.00 H ATOM 2454 N GLY B 104 9.342 18.371 13.763 1.00 10.00 N ATOM 2455 CA GLY B 104 10.582 19.127 13.904 1.00 10.74 C ATOM 2456 C GLY B 104 10.878 19.689 15.269 1.00 9.07 C ATOM 2457 O GLY B 104 11.981 20.176 15.469 1.00 12.41 O ATOM 2458 H GLY B 104 9.273 17.421 14.181 1.00 0.00 H ATOM 2459 N LYS B 105 9.906 19.650 16.192 1.00 7.15 N ATOM 2460 CA LYS B 105 10.128 20.176 17.535 1.00 6.80 C ATOM 2461 C LYS B 105 10.525 19.026 18.459 1.00 8.37 C ATOM 2462 O LYS B 105 10.541 17.870 18.030 1.00 9.46 O ATOM 2463 CB LYS B 105 8.864 20.860 18.023 1.00 8.16 C ATOM 2464 CG LYS B 105 8.475 22.090 17.189 1.00 8.40 C ATOM 2465 CD LYS B 105 7.309 22.820 17.807 1.00 10.05 C ATOM 2466 CE LYS B 105 6.803 24.014 17.003 1.00 14.71 C ATOM 2467 NZ LYS B 105 7.719 25.138 17.112 1.00 16.06 N ATOM 2468 HZ1 LYS B 105 7.805 25.418 18.110 1.00 0.00 H ATOM 2469 HZ2 LYS B 105 8.652 24.860 16.747 1.00 0.00 H ATOM 2470 HZ3 LYS B 105 7.353 25.937 16.557 1.00 0.00 H ATOM 2471 H LYS B 105 8.982 19.240 15.948 1.00 0.00 H ATOM 2472 N TYR B 106 10.893 19.360 19.702 1.00 8.44 N ATOM 2473 CA TYR B 106 11.492 18.406 20.649 1.00 7.20 C ATOM 2474 C TYR B 106 10.665 18.262 21.919 1.00 7.15 C ATOM 2475 O TYR B 106 9.834 19.113 22.255 1.00 8.60 O ATOM 2476 CB TYR B 106 12.894 18.893 21.036 1.00 8.12 C ATOM 2477 CG TYR B 106 13.810 19.155 19.849 1.00 7.84 C ATOM 2478 CD1 TYR B 106 14.514 18.117 19.265 1.00 7.32 C ATOM 2479 CD2 TYR B 106 13.961 20.433 19.326 1.00 8.04 C ATOM 2480 CE1 TYR B 106 15.359 18.343 18.217 1.00 8.60 C ATOM 2481 CE2 TYR B 106 14.797 20.681 18.271 1.00 9.44 C ATOM 2482 CZ TYR B 106 15.501 19.638 17.711 1.00 9.00 C ATOM 2483 OH TYR B 106 16.341 19.929 16.638 1.00 13.46 O ATOM 2484 HH TYR B 106 16.784 19.098 16.332 1.00 0.00 H ATOM 2485 H TYR B 106 10.749 20.342 20.014 1.00 0.00 H ATOM 2486 N ILE B 107 10.941 17.192 22.664 1.00 5.82 N ATOM 2487 CA ILE B 107 10.376 17.058 23.995 1.00 6.25 C ATOM 2488 C ILE B 107 11.209 17.883 24.973 1.00 6.23 C ATOM 2489 O ILE B 107 12.438 17.774 24.999 1.00 7.82 O ATOM 2490 CB ILE B 107 10.327 15.564 24.426 1.00 7.14 C ATOM 2491 CG1 ILE B 107 9.418 14.769 23.478 1.00 7.38 C ATOM 2492 CG2 ILE B 107 9.882 15.456 25.875 1.00 7.54 C ATOM 2493 CD1 ILE B 107 9.188 13.305 23.842 1.00 8.27 C ATOM 2494 H ILE B 107 11.565 16.449 22.290 1.00 0.00 H ATOM 2495 N HIS B 108 10.524 18.675 25.798 1.00 6.48 N ATOM 2496 CA HIS B 108 11.133 19.554 26.804 1.00 7.23 C ATOM 2497 C HIS B 108 10.446 19.370 28.166 1.00 7.67 C ATOM 2498 O HIS B 108 9.261 19.055 28.218 1.00 7.27 O ATOM 2499 CB HIS B 108 10.869 21.028 26.477 1.00 7.62 C ATOM 2500 CG HIS B 108 11.696 21.579 25.370 1.00 8.59 C ATOM 2501 ND1 HIS B 108 12.516 22.659 25.553 1.00 9.93 N ATOM 2502 CD2 HIS B 108 11.841 21.210 24.074 1.00 8.97 C ATOM 2503 CE1 HIS B 108 13.133 22.943 24.429 1.00 10.23 C ATOM 2504 NE2 HIS B 108 12.753 22.068 23.515 1.00 8.48 N ATOM 2505 H HIS B 108 9.487 18.670 25.724 1.00 0.00 H ATOM 2506 N PRO B 109 11.151 19.706 29.257 1.00 9.27 N ATOM 2507 CA PRO B 109 10.457 19.980 30.516 1.00 8.11 C ATOM 2508 C PRO B 109 9.719 21.286 30.388 1.00 8.17 C ATOM 2509 O PRO B 109 10.304 22.258 29.892 1.00 8.11 O ATOM 2510 CB PRO B 109 11.625 20.149 31.508 1.00 8.91 C ATOM 2511 CG PRO B 109 12.735 20.736 30.675 1.00 9.61 C ATOM 2512 CD PRO B 109 12.579 20.060 29.333 1.00 9.71 C ATOM 2513 N LYS B 110 8.465 21.324 30.832 1.00 7.65 N ATOM 2514 CA LYS B 110 7.684 22.530 30.748 1.00 8.40 C ATOM 2515 C LYS B 110 8.394 23.625 31.510 1.00 8.67 C ATOM 2516 O LYS B 110 8.701 23.428 32.673 1.00 8.66 O ATOM 2517 CB LYS B 110 6.284 22.310 31.364 1.00 9.87 C ATOM 2518 CG LYS B 110 5.357 23.470 31.102 1.00 13.62 C ATOM 2519 CD LYS B 110 3.901 23.124 31.317 1.00 17.69 C ATOM 2520 CE LYS B 110 3.283 23.882 32.424 1.00 27.23 C ATOM 2521 NZ LYS B 110 1.894 23.405 32.669 1.00 34.50 N ATOM 2522 HZ1 LYS B 110 1.326 23.539 31.808 1.00 0.00 H ATOM 2523 HZ2 LYS B 110 1.914 22.396 32.919 1.00 0.00 H ATOM 2524 HZ3 LYS B 110 1.475 23.949 33.450 1.00 0.00 H ATOM 2525 H LYS B 110 8.043 20.469 31.246 1.00 0.00 H ATOM 2526 N GLY B 111 8.591 24.767 30.857 1.00 8.05 N ATOM 2527 CA GLY B 111 9.199 25.941 31.474 1.00 9.11 C ATOM 2528 C GLY B 111 10.707 26.006 31.321 1.00 9.34 C ATOM 2529 O GLY B 111 11.318 27.068 31.565 1.00 10.40 O ATOM 2530 H GLY B 111 8.298 24.826 29.861 1.00 0.00 H ATOM 2531 N GLY B 112 11.338 24.896 30.907 1.00 8.85 N ATOM 2532 CA GLY B 112 12.759 24.938 30.563 1.00 9.10 C ATOM 2533 C GLY B 112 13.780 24.786 31.685 1.00 9.30 C ATOM 2534 O GLY B 112 14.966 24.859 31.432 1.00 10.71 O ATOM 2535 H GLY B 112 10.814 24.001 30.830 1.00 0.00 H ATOM 2536 N SER B 113 13.339 24.492 32.909 1.00 9.37 N ATOM 2537 CA SER B 113 14.275 24.280 34.001 1.00 10.26 C ATOM 2538 C SER B 113 15.206 23.087 33.783 1.00 10.54 C ATOM 2539 O SER B 113 14.737 21.994 33.427 1.00 9.75 O ATOM 2540 CB SER B 113 13.535 24.050 35.317 1.00 11.14 C ATOM 2541 OG SER B 113 14.475 23.888 36.389 1.00 13.09 O ATOM 2542 HG SER B 113 15.030 24.704 36.466 1.00 0.00 H ATOM 2543 H SER B 113 12.317 24.414 33.084 1.00 0.00 H ATOM 2544 N PRO B 114 16.523 23.257 34.046 1.00 9.90 N ATOM 2545 CA PRO B 114 17.425 22.079 34.036 1.00 11.43 C ATOM 2546 C PRO B 114 17.294 21.189 35.271 1.00 11.31 C ATOM 2547 O PRO B 114 17.797 20.064 35.244 1.00 14.10 O ATOM 2548 CB PRO B 114 18.827 22.704 33.951 1.00 12.09 C ATOM 2549 CG PRO B 114 18.665 24.077 34.513 1.00 12.24 C ATOM 2550 CD PRO B 114 17.256 24.515 34.228 1.00 11.31 C ATOM 2551 N ASN B 115 16.639 21.687 36.343 1.00 10.63 N ATOM 2552 CA ASN B 115 16.418 20.912 37.580 1.00 12.29 C ATOM 2553 C ASN B 115 14.983 20.998 38.036 1.00 10.90 C ATOM 2554 O ASN B 115 14.698 21.481 39.127 1.00 12.46 O ATOM 2555 CB ASN B 115 17.367 21.338 38.714 1.00 15.10 C ATOM 2556 CG ASN B 115 17.155 22.782 39.215 1.00 15.94 C ATOM 2557 OD1 ASN B 115 17.105 23.780 38.426 1.00 17.72 O ATOM 2558 ND2 ASN B 115 17.081 22.913 40.572 1.00 17.25 N ATOM 2559 HD22 ASN B 115 17.126 22.070 41.179 1.00 0.00 H ATOM 2560 HD21 ASN B 115 16.980 23.856 40.999 1.00 0.00 H ATOM 2561 H ASN B 115 16.274 22.660 36.294 1.00 0.00 H ATOM 2562 N PRO B 116 14.063 20.511 37.183 1.00 12.36 N ATOM 2563 CA PRO B 116 12.658 20.627 37.499 1.00 11.59 C ATOM 2564 C PRO B 116 12.271 19.679 38.605 1.00 10.79 C ATOM 2565 O PRO B 116 12.922 18.672 38.770 1.00 11.18 O ATOM 2566 CB PRO B 116 11.994 20.258 36.164 1.00 14.89 C ATOM 2567 CG PRO B 116 12.902 19.267 35.590 1.00 15.28 C ATOM 2568 CD PRO B 116 14.276 19.796 35.905 1.00 12.37 C ATOM 2569 N PRO B 117 11.251 20.041 39.407 1.00 11.60 N ATOM 2570 CA PRO B 117 10.797 19.148 40.481 1.00 12.45 C ATOM 2571 C PRO B 117 10.095 17.890 39.946 1.00 9.59 C ATOM 2572 O PRO B 117 9.629 17.851 38.797 1.00 9.26 O ATOM 2573 CB PRO B 117 9.809 20.002 41.257 1.00 14.68 C ATOM 2574 CG PRO B 117 9.348 21.029 40.275 1.00 15.27 C ATOM 2575 CD PRO B 117 10.518 21.304 39.390 1.00 14.06 C ATOM 2576 N ASN B 118 9.965 16.884 40.791 1.00 9.83 N ATOM 2577 CA ASN B 118 9.179 15.725 40.407 1.00 9.22 C ATOM 2578 C ASN B 118 7.776 16.142 39.937 1.00 8.80 C ATOM 2579 O ASN B 118 7.150 17.099 40.467 1.00 9.71 O ATOM 2580 CB ASN B 118 9.049 14.735 41.557 1.00 10.36 C ATOM 2581 CG ASN B 118 10.263 13.859 41.724 1.00 11.02 C ATOM 2582 OD1 ASN B 118 11.095 13.720 40.814 1.00 11.88 O ATOM 2583 ND2 ASN B 118 10.349 13.197 42.881 1.00 13.56 N ATOM 2584 HD22 ASN B 118 9.630 13.343 43.618 1.00 0.00 H ATOM 2585 HD21 ASN B 118 11.135 12.536 43.045 1.00 0.00 H ATOM 2586 H ASN B 118 10.422 16.921 41.724 1.00 0.00 H ATOM 2587 N ASN B 119 7.306 15.419 38.936 1.00 7.46 N ATOM 2588 CA ASN B 119 5.993 15.590 38.317 1.00 8.79 C ATOM 2589 C ASN B 119 5.872 16.814 37.432 1.00 8.38 C ATOM 2590 O ASN B 119 4.793 17.207 37.060 1.00 10.44 O ATOM 2591 CB ASN B 119 4.839 15.467 39.317 1.00 9.12 C ATOM 2592 CG ASN B 119 4.780 14.097 39.919 1.00 12.30 C ATOM 2593 OD1 ASN B 119 4.956 13.101 39.209 1.00 10.60 O ATOM 2594 ND2 ASN B 119 4.561 14.023 41.220 1.00 17.82 N ATOM 2595 HD22 ASN B 119 4.419 14.892 41.774 1.00 0.00 H ATOM 2596 HD21 ASN B 119 4.531 13.096 41.690 1.00 0.00 H ATOM 2597 H ASN B 119 7.919 14.669 38.558 1.00 0.00 H ATOM 2598 N THR B 120 7.008 17.386 37.066 1.00 9.04 N ATOM 2599 CA THR B 120 7.042 18.412 36.014 1.00 9.50 C ATOM 2600 C THR B 120 6.548 17.848 34.700 1.00 8.52 C ATOM 2601 O THR B 120 7.030 16.810 34.249 1.00 9.36 O ATOM 2602 CB THR B 120 8.445 18.961 35.845 1.00 9.90 C ATOM 2603 OG1 THR B 120 8.815 19.671 37.041 1.00 10.46 O ATOM 2604 CG2 THR B 120 8.522 19.935 34.662 1.00 11.97 C ATOM 2605 HG1 THR B 120 9.731 20.033 36.939 1.00 0.00 H ATOM 2606 H THR B 120 7.894 17.104 37.532 1.00 0.00 H ATOM 2607 N GLU B 121 5.586 18.519 34.093 1.00 8.46 N ATOM 2608 CA GLU B 121 5.047 18.078 32.784 1.00 8.55 C ATOM 2609 C GLU B 121 6.093 18.233 31.683 1.00 7.77 C ATOM 2610 O GLU B 121 7.001 19.034 31.789 1.00 9.27 O ATOM 2611 CB GLU B 121 3.800 18.876 32.413 1.00 10.32 C ATOM 2612 CG GLU B 121 2.648 18.711 33.393 1.00 12.92 C ATOM 2613 CD GLU B 121 1.467 19.628 33.162 1.00 17.31 C ATOM 2614 OE1 GLU B 121 1.420 20.374 32.148 1.00 16.93 O ATOM 2615 OE2 GLU B 121 0.555 19.584 34.036 1.00 22.26 O ATOM 2616 H GLU B 121 5.199 19.374 34.542 1.00 0.00 H ATOM 2617 N THR B 122 5.968 17.406 30.644 1.00 7.06 N ATOM 2618 CA THR B 122 6.790 17.580 29.455 1.00 6.87 C ATOM 2619 C THR B 122 5.892 18.106 28.330 1.00 6.85 C ATOM 2620 O THR B 122 4.688 17.829 28.279 1.00 7.35 O ATOM 2621 CB THR B 122 7.537 16.307 29.022 1.00 7.51 C ATOM 2622 OG1 THR B 122 6.605 15.247 28.747 1.00 9.08 O ATOM 2623 CG2 THR B 122 8.522 15.845 30.079 1.00 8.69 C ATOM 2624 HG1 THR B 122 6.080 15.051 29.563 1.00 0.00 H ATOM 2625 H THR B 122 5.277 16.630 30.684 1.00 0.00 H ATOM 2626 N VAL B 123 6.495 18.908 27.457 1.00 7.07 N ATOM 2627 CA VAL B 123 5.816 19.528 26.362 1.00 7.60 C ATOM 2628 C VAL B 123 6.675 19.504 25.095 1.00 7.44 C ATOM 2629 O VAL B 123 7.871 19.251 25.163 1.00 7.26 O ATOM 2630 CB VAL B 123 5.513 21.017 26.700 1.00 8.89 C ATOM 2631 CG1 VAL B 123 4.582 21.100 27.914 1.00 10.55 C ATOM 2632 CG2 VAL B 123 6.788 21.841 26.857 1.00 9.23 C ATOM 2633 H VAL B 123 7.511 19.093 27.577 1.00 0.00 H ATOM 2634 N ILE B 124 6.041 19.814 23.956 1.00 7.91 N ATOM 2635 CA ILE B 124 6.701 20.054 22.677 1.00 9.45 C ATOM 2636 C ILE B 124 7.293 21.474 22.699 1.00 8.48 C ATOM 2637 O ILE B 124 6.627 22.385 23.138 1.00 9.42 O ATOM 2638 CB ILE B 124 5.607 20.070 21.569 1.00 13.36 C ATOM 2639 CG1 ILE B 124 5.123 18.647 21.302 1.00 15.38 C ATOM 2640 CG2 ILE B 124 6.046 20.802 20.307 1.00 13.11 C ATOM 2641 CD1 ILE B 124 6.100 17.771 20.557 1.00 17.22 C ATOM 2642 H ILE B 124 5.004 19.889 23.986 1.00 0.00 H ATOM 2643 N HIS B 125 8.518 21.664 22.241 1.00 8.34 N ATOM 2644 CA HIS B 125 9.002 23.012 21.988 1.00 7.95 C ATOM 2645 C HIS B 125 10.123 22.948 20.936 1.00 8.77 C ATOM 2646 O HIS B 125 10.910 21.997 20.915 1.00 8.73 O ATOM 2647 CB HIS B 125 9.485 23.676 23.271 1.00 8.09 C ATOM 2648 CG HIS B 125 9.527 25.169 23.184 1.00 9.51 C ATOM 2649 ND1 HIS B 125 10.480 25.856 22.455 1.00 11.31 N ATOM 2650 CD2 HIS B 125 8.739 26.107 23.746 1.00 9.93 C ATOM 2651 CE1 HIS B 125 10.260 27.158 22.562 1.00 12.13 C ATOM 2652 NE2 HIS B 125 9.202 27.333 23.336 1.00 10.86 N ATOM 2653 H HIS B 125 9.137 20.848 22.061 1.00 0.00 H ATOM 2654 N GLY B 126 10.184 23.956 20.069 1.00 8.63 N ATOM 2655 CA GLY B 126 11.206 23.981 19.012 1.00 9.19 C ATOM 2656 C GLY B 126 12.627 24.287 19.428 1.00 9.50 C ATOM 2657 O GLY B 126 13.553 24.019 18.686 1.00 10.73 O ATOM 2658 H GLY B 126 9.500 24.736 20.140 1.00 0.00 H ATOM 2659 N ASP B 127 12.799 24.853 20.616 1.00 8.81 N ATOM 2660 CA ASP B 127 14.127 25.294 21.048 1.00 7.84 C ATOM 2661 C ASP B 127 15.062 24.102 21.304 1.00 8.93 C ATOM 2662 O ASP B 127 14.623 23.018 21.707 1.00 9.07 O ATOM 2663 CB ASP B 127 14.041 26.129 22.342 1.00 9.02 C ATOM 2664 CG ASP B 127 13.540 27.555 22.143 1.00 11.71 C ATOM 2665 OD1 ASP B 127 13.318 28.031 20.986 1.00 14.08 O ATOM 2666 OD2 ASP B 127 13.366 28.217 23.212 1.00 13.01 O ATOM 2667 H ASP B 127 11.982 24.985 21.247 1.00 0.00 H ATOM 2668 N LYS B 128 16.348 24.339 21.071 1.00 11.79 N ATOM 2669 CA LYS B 128 17.425 23.426 21.483 1.00 12.66 C ATOM 2670 C LYS B 128 18.321 24.106 22.517 1.00 11.32 C ATOM 2671 O LYS B 128 18.758 25.258 22.331 1.00 14.95 O ATOM 2672 CB LYS B 128 18.226 23.017 20.232 1.00 17.48 C ATOM 2673 CG LYS B 128 19.072 21.753 20.338 1.00 23.27 C ATOM 2674 CD LYS B 128 19.656 21.336 18.973 1.00 30.24 C ATOM 2675 CE LYS B 128 18.734 21.575 17.792 1.00 36.39 C ATOM 2676 NZ LYS B 128 18.944 22.901 17.136 1.00 42.41 N ATOM 2677 HZ1 LYS B 128 18.772 23.659 17.827 1.00 0.00 H ATOM 2678 HZ2 LYS B 128 19.922 22.963 16.788 1.00 0.00 H ATOM 2679 HZ3 LYS B 128 18.284 23.000 16.339 1.00 0.00 H ATOM 2680 H LYS B 128 16.606 25.214 20.572 1.00 0.00 H ATOM 2681 N HIS B 129 18.573 23.385 23.617 1.00 10.74 N ATOM 2682 CA HIS B 129 19.402 23.847 24.750 1.00 11.12 C ATOM 2683 C HIS B 129 19.660 22.669 25.671 1.00 9.59 C ATOM 2684 O HIS B 129 19.113 21.610 25.470 1.00 10.06 O ATOM 2685 CB HIS B 129 18.796 25.028 25.499 1.00 11.31 C ATOM 2686 CG HIS B 129 17.390 24.828 25.944 1.00 10.48 C ATOM 2687 ND1 HIS B 129 17.025 23.845 26.829 1.00 10.99 N ATOM 2688 CD2 HIS B 129 16.256 25.509 25.648 1.00 10.69 C ATOM 2689 CE1 HIS B 129 15.728 23.914 27.055 1.00 11.58 C ATOM 2690 NE2 HIS B 129 15.233 24.903 26.331 1.00 11.00 N ATOM 2691 H HIS B 129 18.156 22.434 23.678 1.00 0.00 H ATOM 2692 N ALA B 130 20.520 22.855 26.651 1.00 11.26 N ATOM 2693 CA ALA B 130 20.944 21.754 27.534 1.00 10.80 C ATOM 2694 C ALA B 130 19.818 21.127 28.317 1.00 9.30 C ATOM 2695 O ALA B 130 19.857 19.903 28.618 1.00 10.83 O ATOM 2696 CB ALA B 130 22.068 22.202 28.480 1.00 11.84 C ATOM 2697 H ALA B 130 20.911 23.806 26.806 1.00 0.00 H ATOM 2698 N ALA B 131 18.815 21.922 28.653 1.00 9.47 N ATOM 2699 CA ALA B 131 17.689 21.406 29.444 1.00 9.77 C ATOM 2700 C ALA B 131 16.645 20.611 28.669 1.00 8.26 C ATOM 2701 O ALA B 131 15.710 20.112 29.295 1.00 7.93 O ATOM 2702 CB ALA B 131 17.023 22.528 30.216 1.00 10.55 C ATOM 2703 H ALA B 131 18.824 22.918 28.355 1.00 0.00 H ATOM 2704 N MET B 132 16.800 20.463 27.345 1.00 6.99 N ATOM 2705 CA MET B 132 15.925 19.559 26.582 1.00 7.54 C ATOM 2706 C MET B 132 16.657 18.267 26.165 1.00 7.74 C ATOM 2707 O MET B 132 16.107 17.463 25.419 1.00 8.45 O ATOM 2708 CB MET B 132 15.212 20.256 25.429 1.00 8.94 C ATOM 2709 CG MET B 132 16.072 21.102 24.498 1.00 8.80 C ATOM 2710 SD MET B 132 17.267 20.178 23.504 1.00 9.22 S ATOM 2711 CE MET B 132 16.206 19.653 22.146 1.00 8.67 C ATOM 2712 H MET B 132 17.547 20.993 26.852 1.00 0.00 H ATOM 2713 N GLU B 133 17.889 18.070 26.660 1.00 7.25 N ATOM 2714 CA GLU B 133 18.630 16.887 26.296 1.00 6.87 C ATOM 2715 C GLU B 133 18.171 15.690 27.114 1.00 6.97 C ATOM 2716 O GLU B 133 17.869 15.816 28.312 1.00 7.57 O ATOM 2717 CB GLU B 133 20.138 17.091 26.402 1.00 8.19 C ATOM 2718 CG GLU B 133 20.617 18.114 25.421 1.00 8.83 C ATOM 2719 CD GLU B 133 22.059 18.529 25.580 1.00 12.50 C ATOM 2720 OE1 GLU B 133 22.784 17.960 26.426 1.00 16.39 O ATOM 2721 OE2 GLU B 133 22.459 19.451 24.833 1.00 13.76 O ATOM 2722 H GLU B 133 18.309 18.769 27.305 1.00 0.00 H ATOM 2723 N PHE B 134 18.081 14.551 26.419 1.00 6.64 N ATOM 2724 CA PHE B 134 17.756 13.246 27.016 1.00 7.26 C ATOM 2725 C PHE B 134 18.756 12.195 26.568 1.00 7.55 C ATOM 2726 O PHE B 134 19.217 12.246 25.433 1.00 8.88 O ATOM 2727 CB PHE B 134 16.358 12.800 26.589 1.00 7.06 C ATOM 2728 CG PHE B 134 15.251 13.587 27.222 1.00 6.73 C ATOM 2729 CD1 PHE B 134 14.770 14.730 26.606 1.00 7.62 C ATOM 2730 CD2 PHE B 134 14.715 13.200 28.430 1.00 7.22 C ATOM 2731 CE1 PHE B 134 13.758 15.469 27.163 1.00 8.41 C ATOM 2732 CE2 PHE B 134 13.692 13.916 29.005 1.00 8.47 C ATOM 2733 CZ PHE B 134 13.216 15.071 28.375 1.00 9.32 C ATOM 2734 H PHE B 134 18.251 14.590 25.394 1.00 0.00 H ATOM 2735 N ILE B 135 19.054 11.232 27.439 1.00 7.15 N ATOM 2736 CA ILE B 135 19.847 10.072 27.104 1.00 7.68 C ATOM 2737 C ILE B 135 19.069 8.824 27.486 1.00 6.76 C ATOM 2738 O ILE B 135 18.094 8.900 28.273 1.00 7.78 O ATOM 2739 CB ILE B 135 21.263 10.090 27.732 1.00 7.86 C ATOM 2740 CG1 ILE B 135 21.223 10.022 29.254 1.00 9.28 C ATOM 2741 CG2 ILE B 135 22.006 11.358 27.313 1.00 9.63 C ATOM 2742 CD1 ILE B 135 22.607 9.673 29.825 1.00 11.24 C ATOM 2743 H ILE B 135 18.697 11.320 28.412 1.00 0.00 H ATOM 2744 N PHE B 136 19.457 7.702 26.890 1.00 6.41 N ATOM 2745 CA PHE B 136 18.643 6.489 26.901 1.00 7.27 C ATOM 2746 C PHE B 136 19.460 5.397 27.513 1.00 7.53 C ATOM 2747 O PHE B 136 20.526 5.043 26.956 1.00 6.56 O ATOM 2748 CB PHE B 136 18.163 6.117 25.478 1.00 7.30 C ATOM 2749 CG PHE B 136 17.755 7.319 24.672 1.00 6.73 C ATOM 2750 CD1 PHE B 136 16.816 8.231 25.173 1.00 7.79 C ATOM 2751 CD2 PHE B 136 18.311 7.576 23.451 1.00 6.67 C ATOM 2752 CE1 PHE B 136 16.481 9.386 24.488 1.00 9.50 C ATOM 2753 CE2 PHE B 136 17.961 8.739 22.737 1.00 7.66 C ATOM 2754 CZ PHE B 136 17.050 9.647 23.266 1.00 8.28 C ATOM 2755 H PHE B 136 20.373 7.687 26.398 1.00 0.00 H ATOM 2756 N VAL B 137 19.047 4.950 28.705 1.00 7.43 N ATOM 2757 CA VAL B 137 19.953 4.191 29.582 1.00 7.17 C ATOM 2758 C VAL B 137 19.344 2.865 30.027 1.00 7.50 C ATOM 2759 O VAL B 137 18.126 2.640 29.927 1.00 8.20 O ATOM 2760 CB VAL B 137 20.430 5.011 30.796 1.00 7.84 C ATOM 2761 CG1 VAL B 137 21.236 6.243 30.360 1.00 9.68 C ATOM 2762 CG2 VAL B 137 19.254 5.387 31.662 1.00 8.42 C ATOM 2763 H VAL B 137 18.073 5.141 29.016 1.00 0.00 H ATOM 2764 N SER B 138 20.209 1.967 30.482 1.00 8.44 N ATOM 2765 CA SER B 138 19.807 0.670 30.941 1.00 8.03 C ATOM 2766 C SER B 138 18.933 0.729 32.199 1.00 9.15 C ATOM 2767 O SER B 138 19.260 1.436 33.145 1.00 10.22 O ATOM 2768 CB SER B 138 21.034 -0.171 31.259 1.00 9.19 C ATOM 2769 OG SER B 138 20.652 -1.413 31.823 1.00 12.01 O ATOM 2770 HG SER B 138 20.082 -1.905 31.180 1.00 0.00 H ATOM 2771 H SER B 138 21.219 2.214 30.506 1.00 0.00 H ATOM 2772 N PRO B 139 17.847 -0.062 32.234 1.00 10.09 N ATOM 2773 CA PRO B 139 17.073 -0.175 33.479 1.00 11.29 C ATOM 2774 C PRO B 139 17.890 -0.706 34.646 1.00 12.73 C ATOM 2775 O PRO B 139 17.529 -0.450 35.796 1.00 16.83 O ATOM 2776 CB PRO B 139 15.970 -1.166 33.107 1.00 13.16 C ATOM 2777 CG PRO B 139 15.766 -0.921 31.613 1.00 11.96 C ATOM 2778 CD PRO B 139 17.166 -0.735 31.100 1.00 11.18 C ATOM 2779 N LYS B 140 18.983 -1.421 34.349 1.00 14.89 N ATOM 2780 CA LYS B 140 19.864 -2.011 35.375 1.00 16.81 C ATOM 2781 C LYS B 140 21.047 -1.126 35.708 1.00 15.15 C ATOM 2782 O LYS B 140 21.799 -1.436 36.612 1.00 19.71 O ATOM 2783 CB LYS B 140 20.399 -3.359 34.886 1.00 18.79 C ATOM 2784 CG LYS B 140 19.317 -4.390 34.596 1.00 27.11 C ATOM 2785 CD LYS B 140 19.935 -5.762 34.264 1.00 36.02 C ATOM 2786 CE LYS B 140 19.732 -6.144 32.806 1.00 46.71 C ATOM 2787 NZ LYS B 140 18.336 -6.595 32.541 1.00 51.93 N ATOM 2788 HZ1 LYS B 140 18.124 -7.426 33.129 1.00 0.00 H ATOM 2789 HZ2 LYS B 140 17.675 -5.826 32.773 1.00 0.00 H ATOM 2790 HZ3 LYS B 140 18.239 -6.846 31.536 1.00 0.00 H ATOM 2791 H LYS B 140 19.222 -1.567 33.347 1.00 0.00 H ATOM 2792 N ASN B 141 21.197 -0.010 34.981 1.00 12.74 N ATOM 2793 CA ASN B 141 22.318 0.908 35.227 1.00 14.08 C ATOM 2794 C ASN B 141 22.013 2.223 34.559 1.00 12.34 C ATOM 2795 O ASN B 141 22.225 2.413 33.345 1.00 12.53 O ATOM 2796 CB ASN B 141 23.645 0.359 34.700 1.00 14.79 C ATOM 2797 CG ASN B 141 24.823 1.283 35.007 1.00 16.90 C ATOM 2798 OD1 ASN B 141 24.665 2.468 35.352 1.00 16.79 O ATOM 2799 ND2 ASN B 141 26.004 0.749 34.879 1.00 21.92 N ATOM 2800 HD22 ASN B 141 26.096 -0.245 34.589 1.00 0.00 H ATOM 2801 HD21 ASN B 141 26.855 1.317 35.067 1.00 0.00 H ATOM 2802 H ASN B 141 20.510 0.210 34.232 1.00 0.00 H ATOM 2803 N LYS B 142 21.539 3.151 35.364 1.00 13.10 N ATOM 2804 CA LYS B 142 21.028 4.419 34.843 1.00 12.69 C ATOM 2805 C LYS B 142 22.116 5.344 34.325 1.00 12.95 C ATOM 2806 O LYS B 142 21.800 6.411 33.817 1.00 14.20 O ATOM 2807 CB LYS B 142 20.184 5.155 35.894 1.00 14.24 C ATOM 2808 CG LYS B 142 20.875 5.497 37.211 1.00 19.51 C ATOM 2809 CD LYS B 142 21.896 6.593 37.151 1.00 24.96 C ATOM 2810 CE LYS B 142 22.201 7.125 38.565 1.00 30.03 C ATOM 2811 NZ LYS B 142 23.298 8.129 38.488 1.00 33.56 N ATOM 2812 HZ1 LYS B 142 24.149 7.681 38.093 1.00 0.00 H ATOM 2813 HZ2 LYS B 142 23.003 8.916 37.876 1.00 0.00 H ATOM 2814 HZ3 LYS B 142 23.505 8.489 39.442 1.00 0.00 H ATOM 2815 H LYS B 142 21.528 2.979 36.390 1.00 0.00 H ATOM 2816 N ASP B 143 23.392 4.950 34.455 1.00 13.16 N ATOM 2817 CA ASP B 143 24.478 5.703 33.812 1.00 15.30 C ATOM 2818 C ASP B 143 25.028 5.086 32.530 1.00 12.11 C ATOM 2819 O ASP B 143 25.931 5.665 31.889 1.00 16.13 O ATOM 2820 CB ASP B 143 25.615 5.928 34.814 1.00 20.00 C ATOM 2821 CG ASP B 143 25.208 6.853 35.948 1.00 20.73 C ATOM 2822 OD1 ASP B 143 24.505 7.853 35.686 1.00 27.21 O ATOM 2823 OD2 ASP B 143 25.602 6.594 37.100 1.00 31.34 O ATOM 2824 H ASP B 143 23.615 4.103 35.016 1.00 0.00 H ATOM 2825 N LYS B 144 24.485 3.936 32.130 1.00 11.41 N ATOM 2826 CA LYS B 144 24.957 3.248 30.931 1.00 10.65 C ATOM 2827 C LYS B 144 23.986 3.443 29.765 1.00 8.87 C ATOM 2828 O LYS B 144 22.835 2.984 29.813 1.00 9.97 O ATOM 2829 CB LYS B 144 25.074 1.752 31.176 1.00 12.13 C ATOM 2830 CG LYS B 144 25.585 1.041 29.919 1.00 18.93 C ATOM 2831 CD LYS B 144 26.015 -0.400 30.158 1.00 26.72 C ATOM 2832 CE LYS B 144 26.802 -0.951 28.959 1.00 37.63 C ATOM 2833 NZ LYS B 144 27.836 -0.019 28.394 1.00 45.36 N ATOM 2834 HZ1 LYS B 144 27.374 0.855 28.071 1.00 0.00 H ATOM 2835 HZ2 LYS B 144 28.535 0.209 29.130 1.00 0.00 H ATOM 2836 HZ3 LYS B 144 28.313 -0.478 27.592 1.00 0.00 H ATOM 2837 H LYS B 144 23.709 3.520 32.683 1.00 0.00 H ATOM 2838 N ARG B 145 24.451 4.138 28.732 1.00 8.81 N ATOM 2839 CA ARG B 145 23.656 4.325 27.540 1.00 8.00 C ATOM 2840 C ARG B 145 23.469 2.999 26.846 1.00 8.50 C ATOM 2841 O ARG B 145 24.398 2.194 26.777 1.00 10.13 O ATOM 2842 CB ARG B 145 24.306 5.310 26.585 1.00 7.68 C ATOM 2843 CG ARG B 145 24.304 6.745 27.090 1.00 8.60 C ATOM 2844 CD ARG B 145 25.224 7.554 26.194 1.00 9.69 C ATOM 2845 NE ARG B 145 25.430 8.984 26.464 1.00 10.80 N ATOM 2846 CZ ARG B 145 24.886 9.996 25.792 1.00 9.40 C ATOM 2847 NH1 ARG B 145 23.906 9.796 24.913 1.00 9.54 N ATOM 2848 NH2 ARG B 145 25.286 11.225 26.061 1.00 9.57 N ATOM 2849 HE ARG B 145 26.060 9.228 27.255 1.00 0.00 H ATOM 2850 HH12 ARG B 145 23.496 10.602 24.399 1.00 0.00 H ATOM 2851 HH11 ARG B 145 23.551 8.834 24.740 1.00 0.00 H ATOM 2852 HH22 ARG B 145 24.874 12.030 25.548 1.00 0.00 H ATOM 2853 HH21 ARG B 145 26.013 11.388 26.786 1.00 0.00 H ATOM 2854 H ARG B 145 25.403 4.554 28.782 1.00 0.00 H ATOM 2855 N VAL B 146 22.274 2.812 26.309 1.00 8.07 N ATOM 2856 CA VAL B 146 21.955 1.634 25.527 1.00 8.78 C ATOM 2857 C VAL B 146 21.390 2.074 24.173 1.00 8.99 C ATOM 2858 O VAL B 146 20.861 3.177 24.011 1.00 8.63 O ATOM 2859 CB VAL B 146 20.975 0.682 26.242 1.00 9.95 C ATOM 2860 CG1 VAL B 146 21.580 0.122 27.537 1.00 10.99 C ATOM 2861 CG2 VAL B 146 19.620 1.343 26.500 1.00 10.53 C ATOM 2862 H VAL B 146 21.540 3.534 26.453 1.00 0.00 H ATOM 2863 N LEU B 147 21.558 1.203 23.188 1.00 10.50 N ATOM 2864 CA LEU B 147 21.116 1.464 21.823 1.00 8.89 C ATOM 2865 C LEU B 147 19.613 1.175 21.721 1.00 9.63 C ATOM 2866 O LEU B 147 19.170 0.033 21.897 1.00 10.59 O ATOM 2867 CB LEU B 147 21.846 0.539 20.849 1.00 9.94 C ATOM 2868 CG LEU B 147 21.467 0.666 19.370 1.00 8.85 C ATOM 2869 CD1 LEU B 147 21.765 2.027 18.809 1.00 9.17 C ATOM 2870 CD2 LEU B 147 22.240 -0.374 18.566 1.00 10.20 C ATOM 2871 H LEU B 147 22.024 0.297 23.397 1.00 0.00 H ATOM 2872 N VAL B 148 18.845 2.192 21.397 1.00 8.39 N ATOM 2873 CA VAL B 148 17.365 2.059 21.359 1.00 8.31 C ATOM 2874 C VAL B 148 16.843 1.539 20.031 1.00 9.67 C ATOM 2875 O VAL B 148 15.705 1.066 19.955 1.00 11.45 O ATOM 2876 CB VAL B 148 16.642 3.378 21.739 1.00 9.41 C ATOM 2877 CG1 VAL B 148 17.152 3.874 23.073 1.00 11.34 C ATOM 2878 CG2 VAL B 148 16.760 4.455 20.690 1.00 9.39 C ATOM 2879 H VAL B 148 19.281 3.107 21.163 1.00 0.00 H ATOM 2880 N TYR B 149 17.686 1.613 18.996 1.00 8.43 N ATOM 2881 CA TYR B 149 17.318 1.232 17.631 1.00 8.56 C ATOM 2882 C TYR B 149 17.582 -0.242 17.357 1.00 13.50 C ATOM 2883 O TYR B 149 18.686 -0.689 17.501 1.00 19.38 O ATOM 2884 CB TYR B 149 18.075 2.084 16.612 1.00 9.07 C ATOM 2885 CG TYR B 149 17.451 3.434 16.396 1.00 7.99 C ATOM 2886 CD1 TYR B 149 16.419 3.617 15.472 1.00 8.39 C ATOM 2887 CD2 TYR B 149 17.848 4.514 17.123 1.00 7.28 C ATOM 2888 CE1 TYR B 149 15.846 4.856 15.279 1.00 8.70 C ATOM 2889 CE2 TYR B 149 17.254 5.750 16.957 1.00 7.72 C ATOM 2890 CZ TYR B 149 16.247 5.922 16.043 1.00 7.80 C ATOM 2891 OH TYR B 149 15.662 7.179 15.912 1.00 8.97 O ATOM 2892 HH TYR B 149 14.957 7.143 15.218 1.00 0.00 H ATOM 2893 H TYR B 149 18.652 1.958 19.169 1.00 0.00 H ATOM 2894 N ALA B 150 16.579 -0.931 16.835 1.00 19.93 N ATOM 2895 CA ALA B 150 16.694 -2.339 16.374 1.00 23.98 C ATOM 2896 C ALA B 150 15.581 -2.691 15.379 1.00 36.56 C ATOM 2897 O ALA B 150 14.550 -2.009 15.365 1.00 34.10 O ATOM 2898 CB ALA B 150 16.657 -3.286 17.559 1.00 31.31 C ATOM 2899 H ALA B 150 15.657 -0.459 16.742 1.00 0.00 H TER 2900 ALA B 150 HETATM 2901 O HOH 1 27.252 -1.361 25.644 1.00 30.76 O HETATM 2902 O HOH 2 22.805 18.457 12.809 1.00 49.81 O HETATM 2903 O HOH 3 25.947 20.954 6.152 1.00 41.18 O HETATM 2904 O HOH 4 37.050 -3.897 20.025 1.00 20.32 O HETATM 2905 O HOH 5 40.034 -9.289 -6.784 1.00 43.75 O HETATM 2906 O HOH 6 46.888 10.893 3.233 1.00 23.89 O HETATM 2907 O HOH 7 19.128 -2.650 3.225 1.00 36.02 O HETATM 2908 O HOH 8 33.146 18.102 15.654 1.00 38.93 O HETATM 2909 O HOH 9 48.600 -4.870 8.911 1.00 43.90 O HETATM 2910 O HOH 10 17.301 -2.020 1.466 1.00 22.90 O HETATM 2911 O HOH 11 33.311 13.334 -10.664 1.00 33.95 O HETATM 2912 O HOH 12 29.020 12.422 14.974 1.00 9.73 O HETATM 2913 O HOH 13 29.302 2.144 -0.187 1.00 6.36 O HETATM 2914 O HOH 14 23.851 12.812 -2.338 1.00 33.26 O HETATM 2915 O HOH 15 28.370 4.892 24.507 1.00 32.90 O HETATM 2916 O HOH 16 32.065 3.799 -14.025 1.00 32.46 O HETATM 2917 O HOH 17 24.529 -3.979 -6.765 1.00 13.00 O HETATM 2918 O HOH 18 35.495 0.164 -13.464 1.00 39.99 O HETATM 2919 O HOH 19 35.260 19.598 14.264 1.00 29.15 O HETATM 2920 O HOH 20 24.034 -2.729 9.486 1.00 12.55 O HETATM 2921 O HOH 21 29.470 12.872 -8.265 1.00 20.87 O HETATM 2922 O HOH 22 23.808 -8.223 2.112 1.00 35.59 O HETATM 2923 O HOH 23 20.286 6.249 8.086 1.00 9.25 O HETATM 2924 O HOH 24 34.824 8.907 21.587 1.00 55.49 O HETATM 2925 O HOH 25 35.163 21.806 1.714 1.00 49.12 O HETATM 2926 O HOH 26 22.313 -4.063 15.733 1.00 37.95 O HETATM 2927 O HOH 27 26.779 -8.009 9.609 1.00 32.15 O HETATM 2928 O HOH 28 34.733 15.066 18.070 1.00 27.94 O HETATM 2929 O HOH 29 39.820 -3.885 -3.927 1.00 10.87 O HETATM 2930 O HOH 30 36.242 18.375 -7.730 1.00 29.49 O HETATM 2931 O HOH 31 32.189 11.959 8.096 1.00 8.30 O HETATM 2932 O HOH 32 18.185 10.653 0.452 1.00 36.22 O HETATM 2933 O HOH 33 38.558 -11.239 4.137 1.00 12.04 O HETATM 2934 O HOH 34 48.140 -6.660 2.552 1.00 24.78 O HETATM 2935 O HOH 35 46.489 1.418 -9.585 1.00 52.51 O HETATM 2936 O HOH 36 43.224 -2.629 -5.029 1.00 19.84 O HETATM 2937 O HOH 37 35.736 -7.400 18.746 1.00 16.43 O HETATM 2938 O HOH 38 28.819 18.687 8.551 1.00 13.18 O HETATM 2939 O HOH 39 36.436 21.064 -5.253 1.00 36.07 O HETATM 2940 O HOH 40 32.556 -7.879 12.669 1.00 18.51 O HETATM 2941 O HOH 41 22.225 10.259 -5.634 1.00 30.62 O HETATM 2942 O HOH 42 39.963 6.076 20.238 1.00 12.69 O HETATM 2943 O HOH 43 35.264 -0.462 11.404 1.00 7.31 O HETATM 2944 O HOH 44 29.305 15.386 1.662 1.00 10.29 O HETATM 2945 O HOH 45 29.837 -6.249 21.916 1.00 28.01 O HETATM 2946 O HOH 46 14.829 0.139 -0.696 1.00 31.51 O HETATM 2947 O HOH 47 38.324 15.796 -2.121 1.00 14.61 O HETATM 2948 O HOH 48 45.644 -3.563 -1.695 1.00 31.71 O HETATM 2949 O HOH 49 14.431 2.778 5.260 1.00 19.65 O HETATM 2950 O HOH 50 42.474 5.938 1.861 1.00 9.14 O HETATM 2951 O HOH 51 14.178 6.545 4.536 1.00 25.69 O HETATM 2952 O HOH 52 35.115 15.316 -9.674 1.00 23.55 O HETATM 2953 O HOH 53 48.702 8.359 10.653 1.00 24.91 O HETATM 2954 O HOH 54 44.716 18.532 6.258 1.00 25.72 O HETATM 2955 O HOH 55 31.991 -12.429 -1.233 1.00 36.10 O HETATM 2956 O HOH 56 38.959 9.791 -11.611 1.00 23.22 O HETATM 2957 O HOH 57 39.383 20.052 13.185 1.00 32.19 O HETATM 2958 O HOH 58 26.591 17.685 2.224 1.00 21.58 O HETATM 2959 O HOH 59 24.322 8.683 -6.353 1.00 19.31 O HETATM 2960 O HOH 60 47.924 -0.572 15.650 1.00 13.72 O HETATM 2961 O HOH 61 30.900 -5.527 -0.106 1.00 9.40 O HETATM 2962 O HOH 62 23.624 9.893 7.775 1.00 8.10 O HETATM 2963 O HOH 63 28.139 16.627 10.264 1.00 12.53 O HETATM 2964 O HOH 64 31.118 -10.018 -4.359 1.00 26.32 O HETATM 2965 O HOH 65 25.659 -6.937 13.219 1.00 46.34 O HETATM 2966 O HOH 66 48.669 -6.087 12.682 1.00 33.94 O HETATM 2967 O HOH 67 34.498 3.621 25.288 1.00 47.72 O HETATM 2968 O HOH 68 36.443 -4.475 -9.623 1.00 15.93 O HETATM 2969 O HOH 69 42.034 11.124 16.042 1.00 10.37 O HETATM 2970 O HOH 70 28.234 -7.970 -0.921 1.00 18.71 O HETATM 2971 O HOH 71 27.246 7.770 -7.928 1.00 23.06 O HETATM 2972 O HOH 72 23.644 -2.823 13.332 1.00 24.02 O HETATM 2973 O HOH 73 28.392 -7.218 16.645 1.00 43.41 O HETATM 2974 O HOH 74 42.125 20.729 -0.488 1.00 39.63 O HETATM 2975 O HOH 75 53.688 2.318 5.571 1.00 39.59 O HETATM 2976 O HOH 76 28.882 10.625 19.486 1.00 14.44 O HETATM 2977 O HOH 77 30.590 -10.022 5.617 1.00 20.01 O HETATM 2978 O HOH 78 49.020 6.303 9.080 1.00 17.09 O HETATM 2979 O HOH 79 42.267 13.793 -3.113 1.00 15.14 O HETATM 2980 O HOH 80 37.187 -3.614 -12.163 1.00 28.24 O HETATM 2981 O HOH 81 27.915 -10.241 6.282 1.00 24.47 O HETATM 2982 O HOH 82 25.462 -2.188 22.607 1.00 22.29 O HETATM 2983 O HOH 83 45.909 19.230 10.338 1.00 42.61 O HETATM 2984 O HOH 84 30.154 23.438 5.006 1.00 23.05 O HETATM 2985 O HOH 85 40.194 22.963 1.399 1.00 46.17 O HETATM 2986 O HOH 86 35.039 11.164 -11.496 1.00 20.30 O HETATM 2987 O HOH 87 29.403 15.226 14.940 1.00 17.92 O HETATM 2988 O HOH 88 43.514 6.580 -5.743 1.00 40.29 O HETATM 2989 O HOH 89 38.067 23.851 5.190 1.00 34.96 O HETATM 2990 O HOH 90 42.964 10.968 -3.404 1.00 15.39 O HETATM 2991 O HOH 91 50.553 -2.193 14.624 1.00 34.62 O HETATM 2992 O HOH 92 42.992 -10.835 2.136 1.00 19.26 O HETATM 2993 O HOH 93 32.941 -3.159 -11.555 1.00 19.25 O HETATM 2994 O HOH 94 39.539 9.976 15.482 1.00 8.59 O HETATM 2995 O HOH 95 40.151 3.524 20.380 1.00 17.04 O HETATM 2996 O HOH 96 44.161 19.477 1.986 1.00 28.31 O HETATM 2997 O HOH 97 45.388 -9.560 2.947 1.00 17.33 O HETATM 2998 O HOH 98 43.656 -6.622 -3.021 1.00 21.98 O HETATM 2999 O HOH 99 29.666 -12.015 2.133 1.00 38.34 O HETATM 3000 O HOH 100 17.610 12.078 2.659 1.00 26.15 O HETATM 3001 O HOH 101 44.736 17.252 15.029 1.00 32.62 O HETATM 3002 O HOH 102 47.944 7.233 6.314 1.00 17.42 O HETATM 3003 O HOH 103 42.984 -10.707 -0.635 1.00 20.83 O HETATM 3004 O HOH 104 25.025 -5.129 14.976 1.00 17.98 O HETATM 3005 O HOH 105 40.822 14.080 -5.438 1.00 18.36 O HETATM 3006 O HOH 106 47.206 -4.571 16.502 1.00 18.25 O HETATM 3007 O HOH 107 44.984 0.511 -1.900 1.00 14.95 O HETATM 3008 O HOH 108 41.956 -11.621 5.686 1.00 16.82 O HETATM 3009 O HOH 109 30.344 3.834 25.147 1.00 40.68 O HETATM 3010 O HOH 110 36.614 -9.495 -7.017 1.00 26.82 O HETATM 3011 O HOH 111 15.569 1.231 7.475 1.00 20.88 O HETATM 3012 O HOH 112 25.738 4.551 -9.910 1.00 34.98 O HETATM 3013 O HOH 113 20.144 13.709 9.132 1.00 11.88 O HETATM 3014 O HOH 114 40.914 6.887 -11.459 1.00 42.92 O HETATM 3015 O HOH 115 20.053 11.326 -1.476 1.00 27.89 O HETATM 3016 O HOH 116 15.432 8.781 2.690 1.00 24.97 O HETATM 3017 O HOH 117 36.976 16.373 15.467 1.00 26.03 O HETATM 3018 O HOH 118 50.890 0.623 13.548 1.00 43.39 O HETATM 3019 O HOH 119 12.476 -4.835 -4.620 1.00 17.58 O HETATM 3020 O HOH 120 48.851 12.059 8.490 1.00 28.07 O HETATM 3021 O HOH 121 18.865 15.281 4.114 1.00 57.12 O HETATM 3022 O HOH 122 40.348 10.068 22.575 1.00 38.19 O HETATM 3023 O HOH 123 25.836 12.305 -8.422 1.00 76.79 O HETATM 3024 O HOH 124 35.607 -12.484 -0.443 1.00 25.38 O HETATM 3025 O HOH 125 19.611 -5.363 4.239 1.00 24.31 O HETATM 3026 O HOH 126 18.666 3.831 -6.820 1.00 24.78 O HETATM 3027 O HOH 127 39.894 16.672 16.058 1.00 23.30 O HETATM 3028 O HOH 128 46.071 15.783 13.529 1.00 14.24 O HETATM 3029 O HOH 129 39.935 -14.350 -2.466 1.00 54.35 O HETATM 3030 O HOH 130 44.715 16.774 1.834 1.00 23.96 O HETATM 3031 O HOH 131 21.603 8.228 6.589 1.00 6.87 O HETATM 3032 O HOH 132 41.310 10.466 -8.311 1.00 27.80 O HETATM 3033 O HOH 133 47.411 -3.440 0.483 1.00 33.89 O HETATM 3034 O HOH 134 47.187 -8.612 14.357 1.00 35.88 O HETATM 3035 O HOH 135 18.900 15.696 12.224 1.00 27.16 O HETATM 3036 O HOH 136 37.690 3.408 -11.814 1.00 41.37 O HETATM 3037 O HOH 137 21.042 4.741 10.329 1.00 9.57 O HETATM 3038 O HOH 138 41.621 18.677 13.404 1.00 31.24 O HETATM 3039 O HOH 139 49.832 -4.697 4.223 1.00 34.18 O HETATM 3040 O HOH 140 16.390 6.244 -6.721 1.00 63.20 O HETATM 3041 O HOH 141 35.331 22.238 11.822 1.00 25.63 O HETATM 3042 O HOH 142 48.028 -8.840 5.641 1.00 34.91 O HETATM 3043 O HOH 143 36.175 6.813 -13.514 1.00 36.11 O HETATM 3044 O HOH 144 41.649 22.851 7.407 1.00 57.77 O HETATM 3045 O HOH 145 35.450 23.271 8.867 1.00 32.31 O HETATM 3046 O HOH 146 47.826 1.392 1.774 1.00 40.42 O HETATM 3047 O HOH 147 41.525 -14.351 2.299 1.00 45.74 O HETATM 3048 O HOH 148 28.851 -6.909 -8.111 1.00 17.62 O HETATM 3049 O HOH 149 45.025 5.051 -4.284 1.00 35.74 O HETATM 3050 O HOH 150 33.185 -13.054 3.400 1.00 49.57 O HETATM 3051 O HOH 151 38.315 3.211 23.008 1.00 27.59 O HETATM 3052 O HOH 152 37.446 22.588 2.188 1.00 44.07 O HETATM 3053 O HOH 153 32.567 21.874 2.583 1.00 34.68 O HETATM 3054 O HOH 154 34.855 3.271 -13.676 1.00 48.25 O HETATM 3055 O HOH 155 45.006 -5.669 18.238 1.00 36.03 O HETATM 3056 O HOH 156 31.569 10.284 -11.787 1.00 46.49 O HETATM 3057 O HOH 157 33.423 -8.769 14.984 1.00 33.72 O HETATM 3058 O HOH 158 42.713 12.861 18.150 1.00 34.62 O HETATM 3059 O HOH 159 33.163 -11.398 8.971 1.00 25.89 O HETATM 3060 O HOH 160 43.009 23.230 2.068 1.00 64.54 O HETATM 3061 O HOH 161 18.512 15.323 7.627 1.00 40.96 O HETATM 3062 O HOH 162 38.575 17.986 -6.603 1.00 28.01 O HETATM 3063 O HOH 163 39.693 -13.577 3.485 1.00 28.84 O HETATM 3064 O HOH 164 12.757 1.259 -2.785 1.00 58.74 O HETATM 3065 O HOH 165 33.974 0.668 23.307 1.00 53.76 O HETATM 3066 O HOH 166 23.048 17.595 8.352 1.00 48.67 O HETATM 3067 O HOH 167 39.517 7.633 22.456 1.00 35.51 O HETATM 3068 O HOH 168 36.450 -7.613 -9.115 1.00 40.97 O HETATM 3069 O HOH 169 41.067 -0.026 -10.180 1.00 40.60 O HETATM 3070 O HOH 170 43.198 10.626 -6.673 1.00 54.14 O HETATM 3071 O HOH 171 28.801 21.356 9.294 1.00 29.42 O HETATM 3072 O HOH 172 36.864 17.444 -10.078 1.00 43.08 O HETATM 3073 O HOH 173 30.541 10.389 21.535 1.00 46.81 O HETATM 3074 O HOH 174 46.506 2.886 -3.560 1.00 52.34 O HETATM 3075 O HOH 175 29.420 -10.319 -1.966 1.00 32.78 O HETATM 3076 O HOH 176 44.831 16.760 -0.896 1.00 31.90 O HETATM 3077 O HOH 177 27.822 22.813 7.215 1.00 44.04 O HETATM 3078 O HOH 178 42.097 -5.297 -4.675 1.00 24.74 O HETATM 3079 O HOH 179 12.952 -1.478 -4.851 1.00 45.99 O HETATM 3080 O HOH 180 31.939 -12.091 6.463 1.00 30.52 O HETATM 3081 O HOH 181 39.231 16.190 -4.728 1.00 17.73 O HETATM 3082 O HOH 182 36.166 -13.363 -2.972 1.00 36.39 O HETATM 3083 O HOH 183 41.922 -6.441 -7.057 1.00 43.93 O HETATM 3084 O HOH 184 47.454 14.277 15.472 1.00 20.72 O HETATM 3085 O HOH 185 25.715 -8.836 -0.296 1.00 26.10 O HETATM 3086 O HOH 186 47.878 3.617 3.023 1.00 35.83 O HETATM 3087 O HOH 187 50.075 12.409 5.967 1.00 51.04 O HETATM 3088 O HOH 188 44.700 15.005 -2.911 1.00 37.33 O HETATM 3089 O HOH 189 45.336 -1.582 -3.588 1.00 23.13 O HETATM 3090 O HOH 190 47.821 1.333 -1.167 1.00 47.70 O HETATM 3091 O HOH 191 29.634 10.400 16.832 1.00 13.06 O HETATM 3092 O HOH 192 31.240 -7.741 16.656 1.00 50.66 O HETATM 3093 O HOH 193 26.199 19.532 0.011 1.00 80.56 O HETATM 3094 O HOH 194 46.851 18.148 7.995 1.00 34.23 O HETATM 3095 O HOH 195 25.024 -4.554 21.469 1.00 66.81 O HETATM 3096 O HOH 196 42.995 0.238 22.462 1.00 30.70 O HETATM 3097 O HOH 197 51.535 5.804 8.750 1.00 38.09 O HETATM 3098 O HOH 198 41.955 2.291 21.962 1.00 27.76 O HETATM 3099 O HOH 199 22.288 -4.860 18.435 1.00 54.23 O HETATM 3100 O HOH 200 43.956 -2.571 -7.843 1.00 39.03 O HETATM 3101 O HOH 201 40.474 12.029 -12.101 1.00 43.28 O HETATM 3102 O HOH 202 33.600 -3.278 24.171 1.00 39.29 O HETATM 3103 O HOH 203 49.654 15.503 5.942 1.00 48.23 O HETATM 3104 O HOH 204 42.077 14.745 -7.640 1.00 30.95 O HETATM 3105 O HOH 205 34.315 23.835 -1.130 1.00 53.73 O HETATM 3106 O HOH 206 46.400 -5.798 -3.378 1.00 32.56 O HETATM 3107 O HOH 207 14.018 0.423 3.612 1.00 50.92 O HETATM 3108 O HOH 208 32.751 14.309 20.118 1.00 60.97 O HETATM 3109 O HOH 209 39.334 16.788 -10.884 1.00 41.38 O HETATM 3110 O HOH 210 47.203 17.835 16.567 1.00 50.19 O HETATM 3111 O HOH 211 47.089 -0.979 -5.378 1.00 38.37 O HETATM 3112 O HOH 212 46.793 -5.181 -6.211 1.00 56.62 O HETATM 3113 O HOH 213 11.820 3.018 5.800 1.00 27.98 O HETATM 3114 O HOH 214 8.605 -2.969 21.780 1.00 26.37 O HETATM 3115 O HOH 215 2.333 24.648 15.051 1.00 33.43 O HETATM 3116 O HOH 216 16.474 22.226 15.528 1.00 41.92 O HETATM 3117 O HOH 217 12.363 30.366 20.540 1.00 38.59 O HETATM 3118 O HOH 218 13.268 9.120 43.605 1.00 24.36 O HETATM 3119 O HOH 219 25.300 18.185 26.922 1.00 41.78 O HETATM 3120 O HOH 220 -0.923 7.010 36.028 1.00 28.15 O HETATM 3121 O HOH 221 2.221 5.677 11.391 1.00 35.95 O HETATM 3122 O HOH 222 18.062 -2.855 28.194 1.00 39.22 O HETATM 3123 O HOH 223 2.219 1.777 12.256 1.00 30.29 O HETATM 3124 O HOH 224 1.301 23.152 28.295 1.00 29.95 O HETATM 3125 O HOH 225 17.343 15.474 16.573 1.00 9.28 O HETATM 3126 O HOH 226 15.141 -1.041 37.004 1.00 24.43 O HETATM 3127 O HOH 227 12.370 -4.624 36.473 1.00 35.79 O HETATM 3128 O HOH 228 -1.692 -3.288 34.325 1.00 21.56 O HETATM 3129 O HOH 229 17.244 15.676 39.943 1.00 31.52 O HETATM 3130 O HOH 230 22.008 12.909 33.875 1.00 26.07 O HETATM 3131 O HOH 231 20.768 20.604 23.146 1.00 11.54 O HETATM 3132 O HOH 232 26.088 8.260 31.363 1.00 37.28 O HETATM 3133 O HOH 233 15.056 25.476 38.490 1.00 13.76 O HETATM 3134 O HOH 234 2.254 27.977 21.637 1.00 28.01 O HETATM 3135 O HOH 235 -0.849 18.124 18.892 1.00 10.82 O HETATM 3136 O HOH 236 -1.513 22.112 20.882 1.00 29.11 O HETATM 3137 O HOH 237 7.564 22.003 37.418 1.00 16.00 O HETATM 3138 O HOH 238 7.508 -2.766 32.171 1.00 18.53 O HETATM 3139 O HOH 239 -8.809 8.946 28.594 1.00 22.18 O HETATM 3140 O HOH 240 24.421 21.177 25.442 1.00 42.39 O HETATM 3141 O HOH 241 10.446 15.479 9.811 1.00 33.13 O HETATM 3142 O HOH 242 13.674 20.801 13.469 1.00 41.06 O HETATM 3143 O HOH 243 18.576 17.950 29.961 1.00 8.69 O HETATM 3144 O HOH 244 12.412 27.414 18.523 1.00 27.10 O HETATM 3145 O HOH 245 21.715 5.652 23.361 1.00 9.72 O HETATM 3146 O HOH 246 14.454 16.539 23.490 1.00 6.94 O HETATM 3147 O HOH 247 -6.656 1.540 25.267 1.00 43.25 O HETATM 3148 O HOH 248 4.509 15.596 11.643 1.00 16.69 O HETATM 3149 O HOH 249 20.029 -3.088 29.784 1.00 27.97 O HETATM 3150 O HOH 250 24.959 -0.371 26.091 1.00 18.44 O HETATM 3151 O HOH 251 7.219 0.047 9.031 1.00 39.90 O HETATM 3152 O HOH 252 -6.597 2.605 31.798 1.00 22.37 O HETATM 3153 O HOH 253 5.365 7.431 19.885 1.00 7.37 O HETATM 3154 O HOH 254 24.446 9.747 32.970 1.00 28.29 O HETATM 3155 O HOH 255 3.971 0.002 18.713 1.00 23.78 O HETATM 3156 O HOH 256 14.129 -0.319 18.027 1.00 21.92 O HETATM 3157 O HOH 257 -1.964 3.025 12.362 1.00 38.56 O HETATM 3158 O HOH 258 9.300 22.553 13.093 1.00 36.78 O HETATM 3159 O HOH 259 14.100 17.760 42.510 1.00 32.95 O HETATM 3160 O HOH 260 20.255 18.541 21.338 1.00 12.75 O HETATM 3161 O HOH 261 6.617 0.748 31.403 1.00 7.93 O HETATM 3162 O HOH 262 10.488 24.762 34.297 1.00 12.55 O HETATM 3163 O HOH 263 -2.980 7.584 34.262 1.00 24.17 O HETATM 3164 O HOH 264 2.096 17.684 37.411 1.00 44.22 O HETATM 3165 O HOH 265 15.841 24.819 17.354 1.00 33.55 O HETATM 3166 O HOH 266 11.928 6.508 31.549 1.00 7.26 O HETATM 3167 O HOH 267 19.525 9.608 37.837 1.00 21.05 O HETATM 3168 O HOH 268 4.510 -3.124 25.640 1.00 18.74 O HETATM 3169 O HOH 269 14.140 20.361 41.607 1.00 32.48 O HETATM 3170 O HOH 270 -1.316 -1.700 24.274 1.00 22.17 O HETATM 3171 O HOH 271 7.282 17.872 43.139 1.00 26.49 O HETATM 3172 O HOH 272 -2.614 10.008 35.779 1.00 36.99 O HETATM 3173 O HOH 273 6.907 23.216 34.800 1.00 13.43 O HETATM 3174 O HOH 274 5.449 21.019 15.508 1.00 11.93 O HETATM 3175 O HOH 275 25.631 12.074 22.351 1.00 11.79 O HETATM 3176 O HOH 276 11.199 -5.068 29.285 1.00 38.67 O HETATM 3177 O HOH 277 3.311 13.295 10.897 1.00 22.99 O HETATM 3178 O HOH 278 -3.084 -0.171 27.203 1.00 23.28 O HETATM 3179 O HOH 279 6.770 -4.593 24.885 1.00 22.76 O HETATM 3180 O HOH 280 22.019 10.092 36.949 1.00 27.99 O HETATM 3181 O HOH 281 16.926 26.112 29.865 1.00 18.82 O HETATM 3182 O HOH 282 14.155 8.787 6.672 1.00 33.46 O HETATM 3183 O HOH 283 15.450 29.094 26.267 1.00 20.32 O HETATM 3184 O HOH 284 22.152 18.578 29.554 1.00 19.63 O HETATM 3185 O HOH 285 16.529 10.689 39.349 1.00 26.15 O HETATM 3186 O HOH 286 20.726 10.394 23.755 1.00 8.76 O HETATM 3187 O HOH 287 13.905 -0.195 21.710 1.00 12.95 O HETATM 3188 O HOH 288 18.481 18.098 16.652 1.00 20.37 O HETATM 3189 O HOH 289 2.560 16.609 29.667 1.00 10.10 O HETATM 3190 O HOH 290 8.292 13.351 44.806 1.00 33.01 O HETATM 3191 O HOH 291 11.879 -1.702 16.230 1.00 16.94 O HETATM 3192 O HOH 292 16.593 14.009 12.056 1.00 16.21 O HETATM 3193 O HOH 293 26.911 9.119 28.872 1.00 28.72 O HETATM 3194 O HOH 294 -0.877 8.481 9.871 1.00 28.97 O HETATM 3195 O HOH 295 16.032 6.848 41.566 1.00 41.83 O HETATM 3196 O HOH 296 12.674 22.839 16.168 1.00 17.68 O HETATM 3197 O HOH 297 6.122 22.209 13.288 1.00 44.26 O HETATM 3198 O HOH 298 15.955 -4.983 26.751 1.00 38.72 O HETATM 3199 O HOH 299 14.022 30.958 23.569 1.00 41.63 O HETATM 3200 O HOH 300 5.844 -2.373 39.000 1.00 31.73 O HETATM 3201 O HOH 301 -5.233 16.301 9.271 1.00 36.34 O HETATM 3202 O HOH 302 13.010 1.245 8.593 1.00 24.88 O HETATM 3203 O HOH 303 -1.073 -2.945 31.629 1.00 19.46 O HETATM 3204 O HOH 304 6.169 27.058 29.891 1.00 34.63 O HETATM 3205 O HOH 305 11.276 17.001 43.336 1.00 23.22 O HETATM 3206 O HOH 306 4.704 27.140 18.190 1.00 18.53 O HETATM 3207 O HOH 307 9.784 27.251 18.287 1.00 24.41 O HETATM 3208 O HOH 308 27.246 2.586 26.604 1.00 27.52 O HETATM 3209 O HOH 309 -10.328 4.131 23.714 1.00 32.22 O HETATM 3210 O HOH 310 11.176 7.072 46.172 1.00 35.18 O HETATM 3211 O HOH 311 23.247 -2.557 32.334 1.00 34.05 O HETATM 3212 O HOH 312 4.120 16.374 42.845 1.00 47.72 O HETATM 3213 O HOH 313 -7.899 11.467 22.449 1.00 18.82 O HETATM 3214 O HOH 314 7.723 8.083 8.251 1.00 54.85 O HETATM 3215 O HOH 315 17.044 26.764 19.645 1.00 27.28 O HETATM 3216 O HOH 316 -0.596 20.573 12.566 1.00 15.38 O HETATM 3217 O HOH 317 4.792 21.139 35.054 1.00 15.18 O HETATM 3218 O HOH 318 7.083 18.818 16.114 1.00 8.97 O HETATM 3219 O HOH 319 4.290 -5.423 29.149 1.00 47.60 O HETATM 3220 O HOH 320 21.624 7.986 24.814 1.00 7.99 O HETATM 3221 O HOH 321 -2.430 13.175 33.298 1.00 15.60 O HETATM 3222 O HOH 322 13.585 23.937 40.241 1.00 16.89 O HETATM 3223 O HOH 323 -4.253 2.934 16.106 1.00 10.24 O HETATM 3224 O HOH 324 20.275 4.728 21.138 1.00 8.84 O HETATM 3225 O HOH 325 6.373 29.857 21.492 1.00 30.69 O HETATM 3226 O HOH 326 -8.097 5.062 28.054 1.00 19.25 O HETATM 3227 O HOH 327 -3.957 1.362 18.397 1.00 24.21 O HETATM 3228 O HOH 328 13.122 12.261 7.667 1.00 40.45 O HETATM 3229 O HOH 329 -5.237 6.054 34.313 1.00 11.54 O HETATM 3230 O HOH 330 27.217 5.126 28.764 1.00 18.97 O HETATM 3231 O HOH 331 9.728 -2.041 39.283 1.00 16.10 O HETATM 3232 O HOH 332 -6.790 2.200 28.761 1.00 36.94 O HETATM 3233 O HOH 333 -5.050 17.236 11.931 1.00 34.48 O HETATM 3234 O HOH 334 23.143 -1.189 23.855 1.00 18.93 O HETATM 3235 O HOH 335 22.160 25.304 26.634 1.00 20.01 O HETATM 3236 O HOH 336 -1.554 20.590 25.304 1.00 19.67 O HETATM 3237 O HOH 337 -2.286 18.461 11.977 1.00 25.31 O HETATM 3238 O HOH 338 0.313 17.112 35.640 1.00 33.49 O HETATM 3239 O HOH 339 -6.201 2.109 18.888 1.00 30.73 O HETATM 3240 O HOH 340 -4.052 15.579 29.397 1.00 30.24 O HETATM 3241 O HOH 341 5.004 11.321 42.907 1.00 25.30 O HETATM 3242 O HOH 342 -7.962 15.654 21.399 1.00 58.98 O HETATM 3243 O HOH 343 20.782 2.128 38.060 1.00 20.62 O HETATM 3244 O HOH 344 2.078 -0.697 16.885 1.00 27.84 O HETATM 3245 O HOH 345 6.318 16.244 9.518 1.00 24.47 O HETATM 3246 O HOH 346 10.247 24.601 15.567 1.00 23.83 O HETATM 3247 O HOH 347 -5.347 10.192 33.030 1.00 38.78 O HETATM 3248 O HOH 348 5.317 19.498 40.207 1.00 33.38 O HETATM 3249 O HOH 349 0.106 24.964 23.051 1.00 42.02 O HETATM 3250 O HOH 350 -4.798 21.321 14.403 1.00 40.82 O HETATM 3251 O HOH 351 28.465 2.544 34.937 1.00 47.07 O HETATM 3252 O HOH 352 -6.465 11.197 30.924 1.00 36.52 O HETATM 3253 O HOH 353 27.785 13.364 19.079 1.00 34.37 O HETATM 3254 O HOH 354 20.343 20.639 36.926 1.00 34.09 O HETATM 3255 O HOH 355 5.261 7.556 45.485 1.00 33.94 O HETATM 3256 O HOH 356 19.329 24.964 29.096 1.00 21.03 O HETATM 3257 O HOH 357 -2.780 20.516 22.521 1.00 31.56 O HETATM 3258 O HOH 358 12.282 -2.573 20.445 1.00 40.70 O HETATM 3259 O HOH 359 2.645 11.444 41.257 1.00 33.14 O HETATM 3260 O HOH 360 12.465 31.864 25.760 1.00 25.35 O HETATM 3261 O HOH 361 6.604 -0.824 14.317 1.00 42.90 O HETATM 3262 O HOH 362 13.912 14.220 43.238 1.00 50.55 O HETATM 3263 O HOH 363 4.725 12.149 8.449 1.00 28.06 O HETATM 3264 O HOH 364 11.170 10.998 45.232 1.00 48.38 O HETATM 3265 O HOH 365 0.840 13.478 9.337 1.00 37.13 O HETATM 3266 O HOH 366 10.928 13.759 7.987 1.00 33.58 O HETATM 3267 O HOH 367 16.672 28.479 23.637 1.00 32.86 O HETATM 3268 O HOH 368 0.466 12.719 42.426 1.00 59.70 O HETATM 3269 O HOH 369 6.440 14.772 6.790 1.00 56.78 O HETATM 3270 O HOH 370 -9.951 7.763 23.336 1.00 41.29 O HETATM 3271 O HOH 371 20.598 18.870 38.811 1.00 53.53 O HETATM 3272 O HOH 372 0.277 -4.517 26.881 1.00 55.99 O HETATM 3273 O HOH 373 -2.003 18.223 9.166 1.00 39.28 O HETATM 3274 O HOH 374 16.486 13.543 41.191 1.00 45.84 O HETATM 3275 O HOH 375 25.141 16.687 22.887 1.00 47.46 O HETATM 3276 O HOH 376 0.756 26.599 31.417 1.00 50.37 O HETATM 3277 O HOH 377 27.649 12.918 23.893 1.00 31.69 O HETATM 3278 O HOH 378 21.921 22.861 22.210 1.00 27.53 O HETATM 3279 O HOH 379 -10.363 11.021 24.119 1.00 67.39 O HETATM 3280 O HOH 380 -5.599 -0.687 19.923 1.00 39.25 O HETATM 3281 O HOH 381 3.860 20.668 38.392 1.00 48.89 O HETATM 3282 O HOH 382 15.253 -4.643 31.397 1.00 58.40 O HETATM 3283 O HOH 383 28.932 8.363 24.959 1.00 63.45 O HETATM 3284 O HOH 384 -1.738 -0.776 17.022 1.00 65.47 O HETATM 3285 O HOH 385 5.220 -4.188 33.295 1.00 36.66 O HETATM 3286 O HOH 386 6.833 25.895 35.112 1.00 20.06 O HETATM 3287 O HOH 387 22.092 19.854 19.231 1.00 45.50 O HETATM 3288 O HOH 388 22.576 12.932 36.535 1.00 41.77 O HETATM 3289 O HOH 389 15.041 11.760 6.623 1.00 47.79 O HETATM 3290 O HOH 390 24.362 12.029 32.357 1.00 41.25 O HETATM 3291 O HOH 391 23.800 18.628 31.368 1.00 42.79 O HETATM 3292 O HOH 392 3.815 -3.149 35.326 1.00 42.33 O HETATM 3293 O HOH 393 16.377 -5.000 36.576 1.00 62.53 O HETATM 3294 O HOH 394 -0.305 4.484 10.263 1.00 31.18 O HETATM 3295 O HOH 395 7.343 29.081 31.034 1.00 32.70 O HETATM 3296 O HOH 396 15.801 14.106 14.626 1.00 12.58 O HETATM 3297 O HOH 397 2.173 -0.331 14.261 1.00 45.58 O HETATM 3298 O HOH 398 18.825 7.877 39.721 1.00 37.20 O HETATM 3299 O HOH 399 5.203 -0.216 11.298 1.00 45.64 O HETATM 3300 O HOH 400 -7.029 7.713 34.921 1.00 53.29 O HETATM 3301 O HOH 401 9.368 -4.788 31.585 1.00 28.16 O HETATM 3302 O HOH 402 19.855 27.903 27.645 1.00 35.19 O HETATM 3303 O HOH 403 -2.867 9.483 40.122 1.00 32.51 O HETATM 3304 O HOH 404 -4.324 10.225 38.180 1.00 45.63 O HETATM 3305 O HOH 405 10.475 33.614 25.994 1.00 22.16 O HETATM 3306 O HOH 406 8.700 -8.984 32.446 1.00 72.46 O HETATM 3307 O HOH 407 21.819 24.783 36.470 1.00 32.43 O HETATM 3308 O HOH 408 6.728 23.718 39.686 1.00 32.18 O HETATM 3309 O HOH 409 7.333 21.619 43.472 1.00 47.32 O HETATM 3310 O HOH 410 -10.745 11.135 34.613 1.00 49.58 O HETATM 3311 O4 X A 6 44.537 -1.706 12.621 1.00 -0.39 O HETATM 3312 C4 X A 6 45.184 -2.652 11.780 1.00 0.11 C HETATM 3313 C3 X A 6 46.069 -3.582 12.619 1.00 0.13 C HETATM 3314 O3 X A 6 45.375 -4.186 13.666 1.00 -0.38 O HETATM 3315 H4 X A 6 45.028 -3.516 14.243 1.00 0.21 H HETATM 3316 C2 X A 6 47.205 -2.775 13.214 1.00 0.06 C HETATM 3317 N2 X A 6 48.173 -3.638 13.937 1.00 0.23 N HETATM 3318 H6 X A 6 48.912 -3.068 14.318 1.00 0.20 H HETATM 3319 H7 X A 6 48.564 -4.312 13.298 1.00 0.20 H HETATM 3320 H8 X A 6 47.700 -4.119 14.686 1.00 0.20 H HETATM 3321 C1 X A 6 47.969 -2.014 12.153 1.00 0.20 C HETATM 3322 O1 X A 6 48.641 -2.957 11.303 1.00 -0.36 O HETATM 3323 H10 X A 6 47.997 -3.501 10.864 1.00 0.21 H HETATM 3324 O X A 6 47.098 -1.184 11.348 1.00 -0.34 O HETATM 3325 C5 X A 6 46.037 -1.940 10.713 1.00 0.11 C HETATM 3326 C6 X A 6 45.184 -0.984 9.939 1.00 0.07 C HETATM 3327 O6 X A 6 45.981 -0.392 8.873 1.00 -0.39 O HETATM 3328 H14 X A 6 46.297 -1.078 8.297 1.00 0.21 H HETATM 3329 H12 X A 6 44.817 -0.192 10.608 1.00 0.06 H HETATM 3330 H13 X A 6 44.329 -1.522 9.504 1.00 0.06 H HETATM 3331 H11 X A 6 46.470 -2.688 10.032 1.00 0.06 H HETATM 3332 H9 X A 6 48.714 -1.371 12.645 1.00 0.10 H HETATM 3333 H5 X A 6 46.774 -2.054 13.925 1.00 0.09 H HETATM 3334 H3 X A 6 46.477 -4.366 11.964 1.00 0.07 H HETATM 3335 H2 X A 6 44.416 -3.255 11.273 1.00 0.06 H HETATM 3336 H1 X A 6 43.997 -2.164 13.254 1.00 0.21 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1451 1452 1459 1460 1461 CONECT 1459 1451 CONECT 1460 1451 CONECT 1461 1451 CONECT 3311 3312 3336 CONECT 3312 3311 3313 3325 3335 CONECT 3313 3312 3314 3316 3334 CONECT 3314 3313 3315 CONECT 3315 3314 CONECT 3316 3313 3317 3321 3333 CONECT 3317 3316 3318 3319 3320 CONECT 3318 3317 CONECT 3319 3317 CONECT 3320 3317 CONECT 3321 3316 3322 3324 3332 CONECT 3322 3321 3323 CONECT 3323 3322 CONECT 3324 3321 3325 CONECT 3325 3312 3324 3326 3331 CONECT 3326 3325 3327 3329 3330 CONECT 3327 3326 3328 CONECT 3328 3327 CONECT 3329 3326 CONECT 3330 3326 CONECT 3331 3325 CONECT 3332 3321 CONECT 3333 3316 CONECT 3334 3313 CONECT 3335 3312 CONECT 3336 3311 MASTER 0 0 0 0 0 0 0 0 3334 2 34 24 END
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Related entries of code: 5f8y
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5f90
RCSB PDB
PDBbind
156aa, >5F90_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5f8y
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
C. grayanus lectin (CGL)
Ligand Name
X6X
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=57uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Am.Chem.Soc. Vol. 138: pp. 4787-4795
Ligand Properties
Formula
C
6
H
1
4
NO
5
Molecular Weight
180.179
Exact Mass
180.087
No. of atoms
26
No. of bonds
26
Polar Surface Area
117.79
LOGP Value
-2.84 (
Computed with XLOGP3
)
-3.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
Canonical SMILES
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@H]1O)O)[NH3+]
InChI String
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/p+1/t2-,3-,4+,5-,6+/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):
H2FH31
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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