Browse entries in the PDBbind-CN Database
HEADER 6R1C_COMPLEX COMPND 6R1C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 110 VAL LEU ALA PRO GLY ALA SER ILE PHE ARG CYS ARG GLN SEQRES 2 A 110 CYS GLY GLN THR ILE SER ARG ARG ASP TRP LEU LEU PRO SEQRES 3 A 110 MET GLY GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA SEQRES 4 A 110 GLY MET ILE PHE ARG VAL TRP CYS PHE SER LEU ALA GLN SEQRES 5 A 110 GLY LEU ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SER SEQRES 6 A 110 TRP PHE LYS GLY TYR ASP TRP THR ILE ALA LEU CYS GLY SEQRES 7 A 110 GLN CYS GLY SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SEQRES 8 A 110 SER GLN PRO GLN THR PHE PHE GLY LEU ILE LYS ASP ARG SEQRES 9 A 110 LEU ALA GLU GLY PRO ALA SEQRES 1 B 110 VAL LEU ALA PRO GLY ALA SER ILE PHE ARG CYS ARG GLN SEQRES 2 B 110 CYS GLY GLN THR ILE SER ARG ARG ASP TRP LEU LEU PRO SEQRES 3 B 110 MET GLY GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA SEQRES 4 B 110 GLY MET ILE PHE ARG VAL TRP CYS PHE SER LEU ALA GLN SEQRES 5 B 110 GLY LEU ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SER SEQRES 6 B 110 TRP PHE LYS GLY TYR ASP TRP THR ILE ALA LEU CYS GLY SEQRES 7 B 110 GLN CYS GLY SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SEQRES 8 B 110 SER GLN PRO GLN THR PHE PHE GLY LEU ILE LYS ASP ARG SEQRES 9 B 110 LEU ALA GLU GLY PRO ALA SEQRES 1 C 107 GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR SEQRES 2 C 107 ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP SEQRES 3 C 107 HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE SEQRES 4 C 107 ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU SEQRES 5 C 107 ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY SEQRES 6 C 107 TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER SEQRES 7 C 107 HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN SEQRES 8 C 107 THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY SEQRES 9 C 107 PRO ALA ASP HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET JOW A 553 45 ATOM 1 N VAL A 14 7.980 8.316 23.147 1.00 49.87 N ATOM 2 CA VAL A 14 8.808 8.156 24.389 1.00 49.35 C ATOM 3 C VAL A 14 8.925 9.489 25.150 1.00 48.28 C ATOM 4 O VAL A 14 8.592 10.558 24.625 1.00 47.87 O ATOM 5 CB VAL A 14 10.229 7.584 24.099 1.00 49.76 C ATOM 6 CG1 VAL A 14 10.158 6.308 23.267 1.00 50.27 C ATOM 7 CG2 VAL A 14 11.126 8.636 23.455 1.00 48.58 C ATOM 8 HN3 VAL A 14 8.425 9.019 22.523 1.00 0.00 H ATOM 9 HN2 VAL A 14 7.026 8.637 23.407 1.00 0.00 H ATOM 10 HN1 VAL A 14 7.917 7.403 22.653 1.00 0.00 H ATOM 11 N LEU A 15 9.441 9.426 26.371 1.00 46.34 N ATOM 12 CA LEU A 15 9.635 10.614 27.210 1.00 44.31 C ATOM 13 C LEU A 15 11.031 11.194 26.991 1.00 41.47 C ATOM 14 O LEU A 15 11.998 10.437 26.954 1.00 40.50 O ATOM 15 CB LEU A 15 9.473 10.236 28.681 1.00 45.18 C ATOM 16 CG LEU A 15 8.122 9.675 29.120 1.00 46.89 C ATOM 17 CD1 LEU A 15 8.129 9.438 30.621 1.00 47.60 C ATOM 18 CD2 LEU A 15 6.996 10.613 28.713 1.00 47.01 C ATOM 19 H LEU A 15 9.719 8.498 26.748 1.00 0.00 H ATOM 20 N ALA A 16 11.113 12.514 26.810 1.00 39.21 N ATOM 21 CA ALA A 16 12.388 13.219 26.638 1.00 36.81 C ATOM 22 C ALA A 16 13.289 12.607 25.550 1.00 35.16 C ATOM 23 O ALA A 16 14.417 12.201 25.842 1.00 33.70 O ATOM 24 CB ALA A 16 13.134 13.326 27.973 1.00 37.31 C ATOM 25 H ALA A 16 10.233 13.068 26.790 1.00 0.00 H ATOM 26 N PRO A 17 12.776 12.505 24.308 1.00 34.21 N ATOM 27 CA PRO A 17 13.606 11.918 23.258 1.00 33.26 C ATOM 28 C PRO A 17 14.843 12.773 22.986 1.00 31.52 C ATOM 29 O PRO A 17 14.768 13.988 23.116 1.00 30.71 O ATOM 30 CB PRO A 17 12.677 11.896 22.030 1.00 33.50 C ATOM 31 CG PRO A 17 11.591 12.867 22.336 1.00 33.82 C ATOM 32 CD PRO A 17 11.416 12.823 23.818 1.00 34.76 C ATOM 33 N GLY A 18 15.954 12.128 22.642 1.00 31.13 N ATOM 34 CA GLY A 18 17.201 12.819 22.274 1.00 31.05 C ATOM 35 C GLY A 18 17.579 12.724 20.809 1.00 31.43 C ATOM 36 O GLY A 18 18.606 13.257 20.411 1.00 31.80 O ATOM 37 H GLY A 18 15.941 11.088 22.632 1.00 0.00 H ATOM 38 N ALA A 19 16.791 12.022 20.008 1.00 32.67 N ATOM 39 CA ALA A 19 17.074 11.850 18.579 1.00 32.07 C ATOM 40 C ALA A 19 15.801 12.264 17.856 1.00 31.13 C ATOM 41 O ALA A 19 15.068 11.449 17.217 1.00 34.83 O ATOM 42 CB ALA A 19 17.465 10.409 18.249 1.00 33.46 C ATOM 43 H ALA A 19 15.940 11.576 20.407 1.00 0.00 H ATOM 44 N SER A 20 15.510 13.548 17.988 1.00 28.23 N ATOM 45 CA SER A 20 14.247 14.070 17.540 1.00 26.30 C ATOM 46 C SER A 20 14.355 15.059 16.403 1.00 23.33 C ATOM 47 O SER A 20 13.589 14.916 15.436 1.00 23.35 O ATOM 48 CB SER A 20 13.450 14.670 18.682 1.00 28.45 C ATOM 49 OG SER A 20 12.184 15.040 18.194 1.00 29.39 O ATOM 50 HG SER A 20 12.293 15.706 17.470 1.00 0.00 H ATOM 51 H SER A 20 16.205 14.189 18.422 1.00 0.00 H ATOM 52 N ILE A 21 15.244 16.043 16.547 1.00 19.86 N ATOM 53 CA ILE A 21 15.338 17.085 15.554 1.00 18.70 C ATOM 54 C ILE A 21 16.762 17.227 15.042 1.00 15.86 C ATOM 55 O ILE A 21 17.716 16.854 15.700 1.00 15.47 O ATOM 56 CB ILE A 21 14.803 18.425 16.019 1.00 20.50 C ATOM 57 CG1 ILE A 21 15.631 18.996 17.102 1.00 21.37 C ATOM 58 CG2 ILE A 21 13.344 18.318 16.484 1.00 21.41 C ATOM 59 CD1 ILE A 21 15.428 20.508 17.182 1.00 23.15 C ATOM 60 H ILE A 21 15.871 16.059 17.377 1.00 0.00 H ATOM 61 N PHE A 22 16.883 17.756 13.831 1.00 13.14 N ATOM 62 CA PHE A 22 18.150 18.025 13.212 1.00 12.35 C ATOM 63 C PHE A 22 18.381 19.518 13.122 1.00 11.59 C ATOM 64 O PHE A 22 17.514 20.257 12.648 1.00 11.20 O ATOM 65 CB PHE A 22 18.160 17.429 11.801 1.00 12.07 C ATOM 66 CG PHE A 22 18.131 15.930 11.798 1.00 12.49 C ATOM 67 CD1 PHE A 22 19.306 15.200 11.974 1.00 13.04 C ATOM 68 CD2 PHE A 22 16.931 15.240 11.690 1.00 13.06 C ATOM 69 CE1 PHE A 22 19.270 13.801 12.027 1.00 13.73 C ATOM 70 CE2 PHE A 22 16.922 13.854 11.690 1.00 13.66 C ATOM 71 CZ PHE A 22 18.085 13.154 11.860 1.00 13.62 C ATOM 72 H PHE A 22 16.017 17.987 13.304 1.00 0.00 H ATOM 73 N ARG A 23 19.545 19.951 13.590 1.00 11.13 N ATOM 74 CA ARG A 23 19.997 21.316 13.527 1.00 11.27 C ATOM 75 C ARG A 23 21.243 21.450 12.654 1.00 10.74 C ATOM 76 O ARG A 23 21.948 20.490 12.459 1.00 10.64 O ATOM 77 CB ARG A 23 20.327 21.800 14.954 1.00 12.00 C ATOM 78 CG ARG A 23 19.105 21.902 15.827 1.00 12.94 C ATOM 79 CD ARG A 23 19.433 22.481 17.220 1.00 13.77 C ATOM 80 NE ARG A 23 18.202 22.626 17.955 1.00 14.72 N ATOM 81 CZ ARG A 23 17.286 23.572 17.753 1.00 15.16 C ATOM 82 NH1 ARG A 23 17.490 24.575 16.912 1.00 15.24 N ATOM 83 NH2 ARG A 23 16.156 23.523 18.428 1.00 16.58 N ATOM 84 HE ARG A 23 18.013 21.933 18.707 1.00 0.00 H ATOM 85 HH12 ARG A 23 16.755 25.298 16.777 1.00 0.00 H ATOM 86 HH11 ARG A 23 18.386 24.640 16.387 1.00 0.00 H ATOM 87 HH22 ARG A 23 15.431 24.254 18.282 1.00 0.00 H ATOM 88 HH21 ARG A 23 15.989 22.753 19.107 1.00 0.00 H ATOM 89 H ARG A 23 20.176 19.254 14.034 1.00 0.00 H ATOM 90 N CYS A 24 21.514 22.649 12.138 1.00 10.67 N ATOM 91 CA CYS A 24 22.762 22.887 11.444 1.00 10.56 C ATOM 92 C CYS A 24 23.931 22.640 12.410 1.00 10.79 C ATOM 93 O CYS A 24 23.930 23.194 13.516 1.00 10.87 O ATOM 94 CB CYS A 24 22.808 24.312 10.940 1.00 10.75 C ATOM 95 SG CYS A 24 24.400 24.745 10.188 1.00 11.04 S ATOM 96 H CYS A 24 20.823 23.420 12.235 1.00 0.00 H ATOM 97 N ARG A 25 24.878 21.806 12.005 1.00 10.90 N ATOM 98 CA ARG A 25 26.041 21.497 12.824 1.00 11.54 C ATOM 99 C ARG A 25 26.910 22.708 13.177 1.00 12.23 C ATOM 100 O ARG A 25 27.551 22.736 14.239 1.00 12.31 O ATOM 101 CB ARG A 25 26.877 20.452 12.109 1.00 11.77 C ATOM 102 CG ARG A 25 28.112 20.033 12.848 1.00 11.94 C ATOM 103 CD ARG A 25 28.812 18.956 12.072 1.00 11.80 C ATOM 104 NE ARG A 25 30.108 18.709 12.652 1.00 12.00 N ATOM 105 CZ ARG A 25 30.971 17.796 12.229 1.00 11.94 C ATOM 106 NH1 ARG A 25 30.671 16.977 11.227 1.00 11.59 N ATOM 107 NH2 ARG A 25 32.142 17.702 12.840 1.00 12.34 N ATOM 108 HE ARG A 25 30.388 19.293 13.466 1.00 0.00 H ATOM 109 HH12 ARG A 25 31.362 16.268 10.910 1.00 0.00 H ATOM 110 HH11 ARG A 25 29.745 17.045 10.759 1.00 0.00 H ATOM 111 HH22 ARG A 25 32.836 16.994 12.527 1.00 0.00 H ATOM 112 HH21 ARG A 25 32.367 18.336 13.633 1.00 0.00 H ATOM 113 H ARG A 25 24.787 21.357 11.071 1.00 0.00 H ATOM 114 N GLN A 26 26.948 23.681 12.273 1.00 13.04 N ATOM 115 CA GLN A 26 27.803 24.867 12.450 1.00 14.38 C ATOM 116 C GLN A 26 27.212 25.929 13.357 1.00 14.48 C ATOM 117 O GLN A 26 27.951 26.596 14.061 1.00 16.51 O ATOM 118 CB GLN A 26 28.186 25.446 11.081 1.00 15.78 C ATOM 119 CG GLN A 26 28.910 24.478 10.203 1.00 17.20 C ATOM 120 CD GLN A 26 30.105 23.866 10.873 1.00 18.98 C ATOM 121 OE1 GLN A 26 30.866 24.529 11.574 1.00 21.86 O ATOM 122 NE2 GLN A 26 30.284 22.575 10.664 1.00 21.65 N ATOM 123 HE22 GLN A 26 29.618 22.048 10.064 1.00 0.00 H ATOM 124 HE21 GLN A 26 31.091 22.085 11.099 1.00 0.00 H ATOM 125 H GLN A 26 26.359 23.603 11.419 1.00 0.00 H ATOM 126 N CYS A 27 25.903 26.122 13.356 1.00 13.03 N ATOM 127 CA CYS A 27 25.280 27.228 14.099 1.00 12.84 C ATOM 128 C CYS A 27 24.059 26.882 14.933 1.00 12.97 C ATOM 129 O CYS A 27 23.593 27.711 15.690 1.00 13.84 O ATOM 130 CB CYS A 27 24.932 28.348 13.119 1.00 12.42 C ATOM 131 SG CYS A 27 23.481 27.962 12.118 1.00 11.34 S ATOM 132 H CYS A 27 25.297 25.473 12.814 1.00 0.00 H ATOM 133 N GLY A 28 23.463 25.704 14.756 1.00 12.46 N ATOM 134 CA GLY A 28 22.301 25.331 15.523 1.00 12.27 C ATOM 135 C GLY A 28 20.927 25.665 14.987 1.00 12.48 C ATOM 136 O GLY A 28 19.898 25.339 15.633 1.00 12.83 O ATOM 137 H GLY A 28 23.843 25.041 14.051 1.00 0.00 H ATOM 138 N GLN A 29 20.859 26.310 13.821 1.00 12.39 N ATOM 139 CA GLN A 29 19.568 26.581 13.170 1.00 12.34 C ATOM 140 C GLN A 29 18.734 25.305 13.081 1.00 12.19 C ATOM 141 O GLN A 29 19.239 24.286 12.679 1.00 11.79 O ATOM 142 CB GLN A 29 19.822 27.099 11.736 1.00 12.33 C ATOM 143 CG GLN A 29 18.587 27.294 10.878 1.00 12.44 C ATOM 144 CD GLN A 29 18.010 28.672 10.978 1.00 12.83 C ATOM 145 OE1 GLN A 29 17.848 29.206 12.067 1.00 13.59 O ATOM 146 NE2 GLN A 29 17.689 29.257 9.844 1.00 12.73 N ATOM 147 HE22 GLN A 29 17.845 28.764 8.942 1.00 0.00 H ATOM 148 HE21 GLN A 29 17.279 30.213 9.850 1.00 0.00 H ATOM 149 H GLN A 29 21.737 26.628 13.363 1.00 0.00 H ATOM 150 N THR A 30 17.469 25.389 13.427 1.00 12.54 N ATOM 151 CA THR A 30 16.575 24.226 13.295 1.00 12.76 C ATOM 152 C THR A 30 16.338 23.947 11.820 1.00 12.10 C ATOM 153 O THR A 30 16.012 24.869 11.077 1.00 12.38 O ATOM 154 CB THR A 30 15.248 24.437 14.028 1.00 13.76 C ATOM 155 OG1 THR A 30 14.559 23.197 14.136 1.00 14.71 O ATOM 156 CG2 THR A 30 14.370 25.490 13.417 1.00 14.30 C ATOM 157 HG1 THR A 30 13.702 23.337 14.610 1.00 0.00 H ATOM 158 H THR A 30 17.095 26.286 13.798 1.00 0.00 H ATOM 159 N ILE A 31 16.542 22.707 11.403 1.00 11.51 N ATOM 160 CA ILE A 31 16.447 22.337 9.973 1.00 11.31 C ATOM 161 C ILE A 31 15.376 21.273 9.676 1.00 11.61 C ATOM 162 O ILE A 31 14.579 21.444 8.756 1.00 12.01 O ATOM 163 CB ILE A 31 17.795 21.823 9.411 1.00 10.80 C ATOM 164 CG1 ILE A 31 18.908 22.834 9.585 1.00 10.86 C ATOM 165 CG2 ILE A 31 17.658 21.450 7.925 1.00 10.65 C ATOM 166 CD1 ILE A 31 18.737 24.146 8.858 1.00 11.08 C ATOM 167 H ILE A 31 16.776 21.972 12.100 1.00 0.00 H ATOM 168 N SER A 32 15.374 20.147 10.370 1.00 11.98 N ATOM 169 CA SER A 32 14.377 19.113 10.104 1.00 12.68 C ATOM 170 C SER A 32 14.135 18.225 11.302 1.00 13.70 C ATOM 171 O SER A 32 14.582 18.539 12.408 1.00 13.33 O ATOM 172 CB SER A 32 14.762 18.318 8.842 1.00 12.26 C ATOM 173 OG SER A 32 13.642 17.586 8.347 1.00 13.02 O ATOM 174 HG SER A 32 12.912 18.215 8.120 1.00 0.00 H ATOM 175 H SER A 32 16.088 19.997 11.111 1.00 0.00 H ATOM 176 N ARG A 33 13.437 17.115 11.102 1.00 14.79 N ATOM 177 CA ARG A 33 12.988 16.253 12.190 1.00 16.19 C ATOM 178 C ARG A 33 13.112 14.819 11.707 1.00 16.11 C ATOM 179 O ARG A 33 12.853 14.516 10.522 1.00 14.53 O ATOM 180 CB ARG A 33 11.513 16.545 12.538 1.00 17.81 C ATOM 181 CG ARG A 33 11.152 18.002 12.764 1.00 19.65 C ATOM 182 CD ARG A 33 9.739 18.131 13.328 1.00 22.06 C ATOM 183 NE ARG A 33 9.649 17.745 14.724 1.00 25.15 N ATOM 184 CZ ARG A 33 9.926 18.555 15.756 1.00 27.32 C ATOM 185 NH1 ARG A 33 10.305 19.826 15.571 1.00 28.21 N ATOM 186 NH2 ARG A 33 9.817 18.093 16.996 1.00 28.76 N ATOM 187 HE ARG A 33 9.349 16.773 14.939 1.00 0.00 H ATOM 188 HH12 ARG A 33 10.513 20.431 16.391 1.00 0.00 H ATOM 189 HH11 ARG A 33 10.391 20.208 14.608 1.00 0.00 H ATOM 190 HH22 ARG A 33 10.030 18.714 17.803 1.00 0.00 H ATOM 191 HH21 ARG A 33 9.519 17.110 17.160 1.00 0.00 H ATOM 192 H ARG A 33 13.199 16.847 10.126 1.00 0.00 H ATOM 193 N ARG A 34 13.444 13.914 12.616 1.00 16.55 N ATOM 194 CA ARG A 34 13.478 12.503 12.296 1.00 17.85 C ATOM 195 C ARG A 34 12.121 11.977 11.753 1.00 17.55 C ATOM 196 O ARG A 34 12.090 11.138 10.848 1.00 16.77 O ATOM 197 CB ARG A 34 13.920 11.695 13.528 1.00 20.03 C ATOM 198 CG ARG A 34 13.974 10.208 13.250 1.00 22.59 C ATOM 199 CD ARG A 34 14.854 9.404 14.196 1.00 25.24 C ATOM 200 NE ARG A 34 15.446 8.377 13.338 1.00 28.26 N ATOM 201 CZ ARG A 34 16.683 8.394 12.833 1.00 28.90 C ATOM 202 NH1 ARG A 34 17.056 7.411 12.034 1.00 30.67 N ATOM 203 NH2 ARG A 34 17.551 9.361 13.104 1.00 28.88 N ATOM 204 HE ARG A 34 14.849 7.559 13.099 1.00 0.00 H ATOM 205 HH12 ARG A 34 18.014 7.404 11.630 1.00 0.00 H ATOM 206 HH11 ARG A 34 16.391 6.643 11.809 1.00 0.00 H ATOM 207 HH22 ARG A 34 18.504 9.335 12.689 1.00 0.00 H ATOM 208 HH21 ARG A 34 17.278 10.144 13.731 1.00 0.00 H ATOM 209 H ARG A 34 13.685 14.224 13.579 1.00 0.00 H ATOM 210 N ASP A 35 11.028 12.513 12.305 1.00 17.82 N ATOM 211 CA ASP A 35 9.686 12.167 11.835 1.00 18.69 C ATOM 212 C ASP A 35 9.494 12.440 10.357 1.00 17.53 C ATOM 213 O ASP A 35 8.579 11.866 9.759 1.00 17.54 O ATOM 214 CB ASP A 35 8.618 12.940 12.619 1.00 20.40 C ATOM 215 CG ASP A 35 8.371 12.368 14.004 1.00 22.66 C ATOM 216 OD1 ASP A 35 8.864 11.278 14.341 1.00 24.78 O ATOM 217 OD2 ASP A 35 7.643 13.033 14.766 1.00 25.43 O ATOM 218 H ASP A 35 11.134 13.191 13.086 1.00 0.00 H ATOM 219 N TRP A 36 10.294 13.341 9.785 1.00 15.89 N ATOM 220 CA TRP A 36 10.131 13.755 8.391 1.00 15.40 C ATOM 221 C TRP A 36 11.082 13.030 7.447 1.00 14.93 C ATOM 222 O TRP A 36 11.107 13.361 6.258 1.00 14.13 O ATOM 223 CB TRP A 36 10.307 15.265 8.263 1.00 15.08 C ATOM 224 CG TRP A 36 9.351 16.093 9.045 1.00 16.06 C ATOM 225 CD1 TRP A 36 8.149 15.702 9.569 1.00 16.82 C ATOM 226 CD2 TRP A 36 9.484 17.477 9.372 1.00 16.28 C ATOM 227 NE1 TRP A 36 7.536 16.744 10.194 1.00 17.39 N ATOM 228 CE2 TRP A 36 8.318 17.856 10.085 1.00 17.33 C ATOM 229 CE3 TRP A 36 10.468 18.440 9.126 1.00 16.16 C ATOM 230 CZ2 TRP A 36 8.103 19.158 10.523 1.00 17.57 C ATOM 231 CZ3 TRP A 36 10.267 19.711 9.550 1.00 16.58 C ATOM 232 CH2 TRP A 36 9.108 20.070 10.287 1.00 17.43 C ATOM 233 HE1 TRP A 36 6.617 16.699 10.678 1.00 0.00 H ATOM 234 H TRP A 36 11.059 13.763 10.349 1.00 0.00 H ATOM 235 N LEU A 37 11.805 12.032 7.918 1.00 15.26 N ATOM 236 CA LEU A 37 12.610 11.214 7.017 1.00 15.90 C ATOM 237 C LEU A 37 11.733 10.561 5.942 1.00 16.30 C ATOM 238 O LEU A 37 10.590 10.170 6.210 1.00 16.49 O ATOM 239 CB LEU A 37 13.392 10.160 7.774 1.00 16.51 C ATOM 240 CG LEU A 37 14.636 10.702 8.478 1.00 16.66 C ATOM 241 CD1 LEU A 37 15.165 9.667 9.450 1.00 17.68 C ATOM 242 CD2 LEU A 37 15.726 11.062 7.514 1.00 16.44 C ATOM 243 H LEU A 37 11.801 11.827 8.938 1.00 0.00 H ATOM 244 N LEU A 38 12.260 10.471 4.733 1.00 16.50 N ATOM 245 CA LEU A 38 11.504 10.049 3.555 1.00 17.27 C ATOM 246 C LEU A 38 12.264 8.936 2.835 1.00 18.74 C ATOM 247 O LEU A 38 13.333 9.182 2.273 1.00 17.85 O ATOM 248 CB LEU A 38 11.342 11.238 2.593 1.00 17.16 C ATOM 249 CG LEU A 38 10.661 10.962 1.251 1.00 17.41 C ATOM 250 CD1 LEU A 38 9.217 10.515 1.491 1.00 18.14 C ATOM 251 CD2 LEU A 38 10.754 12.207 0.382 1.00 17.70 C ATOM 252 H LEU A 38 13.264 10.713 4.614 1.00 0.00 H ATOM 253 N PRO A 39 11.731 7.700 2.815 1.00 20.45 N ATOM 254 CA PRO A 39 12.412 6.603 2.130 1.00 21.92 C ATOM 255 C PRO A 39 12.262 6.598 0.600 1.00 23.04 C ATOM 256 O PRO A 39 11.549 5.755 0.023 1.00 27.23 O ATOM 257 CB PRO A 39 11.758 5.372 2.772 1.00 22.84 C ATOM 258 CG PRO A 39 10.362 5.814 3.011 1.00 22.87 C ATOM 259 CD PRO A 39 10.522 7.228 3.514 1.00 21.91 C ATOM 260 N MET A 40 13.038 7.429 -0.071 1.00 22.06 N ATOM 261 CA MET A 40 13.099 7.507 -1.534 1.00 22.30 C ATOM 262 C MET A 40 13.729 6.270 -2.138 1.00 23.17 C ATOM 263 O MET A 40 14.810 5.875 -1.700 1.00 22.66 O ATOM 264 CB MET A 40 13.921 8.724 -1.940 1.00 21.92 C ATOM 265 CG MET A 40 13.250 10.059 -1.669 1.00 22.56 C ATOM 266 SD MET A 40 11.733 10.327 -2.580 1.00 23.87 S ATOM 267 CE MET A 40 12.378 10.442 -4.244 1.00 23.71 C ATOM 268 H MET A 40 13.647 8.072 0.475 1.00 0.00 H ATOM 269 N GLY A 41 13.046 5.613 -3.065 1.00 24.35 N ATOM 270 CA GLY A 41 13.519 4.342 -3.589 1.00 25.62 C ATOM 271 C GLY A 41 13.766 3.277 -2.531 1.00 26.35 C ATOM 272 O GLY A 41 14.648 2.437 -2.703 1.00 27.86 O ATOM 273 H GLY A 41 12.156 6.014 -3.424 1.00 0.00 H ATOM 274 N GLY A 42 13.000 3.313 -1.437 1.00 26.55 N ATOM 275 CA GLY A 42 13.114 2.344 -0.348 1.00 26.99 C ATOM 276 C GLY A 42 14.099 2.621 0.774 1.00 27.35 C ATOM 277 O GLY A 42 14.176 1.850 1.725 1.00 28.71 O ATOM 278 H GLY A 42 12.288 4.067 -1.356 1.00 0.00 H ATOM 279 N ASP A 43 14.851 3.724 0.700 1.00 25.95 N ATOM 280 CA ASP A 43 15.868 4.028 1.726 1.00 25.26 C ATOM 281 C ASP A 43 15.904 5.523 1.929 1.00 22.58 C ATOM 282 O ASP A 43 15.953 6.235 0.945 1.00 21.44 O ATOM 283 CB ASP A 43 17.269 3.584 1.263 1.00 26.46 C ATOM 284 CG ASP A 43 18.248 3.383 2.419 1.00 28.00 C ATOM 285 OD1 ASP A 43 18.123 3.996 3.519 1.00 27.86 O ATOM 286 OD2 ASP A 43 19.198 2.613 2.220 1.00 30.47 O ATOM 287 H ASP A 43 14.717 4.380 -0.096 1.00 0.00 H ATOM 288 N HIS A 44 15.909 6.008 3.175 1.00 21.58 N ATOM 289 CA HIS A 44 16.104 7.437 3.381 1.00 20.80 C ATOM 290 C HIS A 44 17.560 7.862 3.116 1.00 19.37 C ATOM 291 O HIS A 44 17.804 9.026 2.791 1.00 18.44 O ATOM 292 CB HIS A 44 15.607 7.898 4.742 1.00 21.36 C ATOM 293 CG HIS A 44 16.417 7.430 5.905 1.00 22.21 C ATOM 294 ND1 HIS A 44 15.946 6.501 6.804 1.00 24.57 N ATOM 295 CD2 HIS A 44 17.630 7.820 6.366 1.00 22.68 C ATOM 296 CE1 HIS A 44 16.856 6.306 7.748 1.00 24.24 C ATOM 297 NE2 HIS A 44 17.885 7.101 7.512 1.00 23.33 N ATOM 298 H HIS A 44 15.775 5.373 3.987 1.00 0.00 H ATOM 299 N GLU A 45 18.500 6.919 3.220 1.00 19.04 N ATOM 300 CA GLU A 45 19.911 7.194 2.965 1.00 19.00 C ATOM 301 C GLU A 45 20.326 6.845 1.550 1.00 18.88 C ATOM 302 O GLU A 45 20.073 5.752 1.096 1.00 19.07 O ATOM 303 CB GLU A 45 20.783 6.421 3.945 1.00 19.52 C ATOM 304 CG GLU A 45 22.269 6.650 3.846 1.00 19.93 C ATOM 305 CD GLU A 45 22.928 5.938 5.011 1.00 20.80 C ATOM 306 OE1 GLU A 45 23.000 6.567 6.079 1.00 21.69 O ATOM 307 OE2 GLU A 45 23.213 4.726 4.879 1.00 21.41 O ATOM 308 H GLU A 45 18.217 5.956 3.492 1.00 0.00 H ATOM 309 N HIS A 46 21.001 7.791 0.895 1.00 17.94 N ATOM 310 CA HIS A 46 21.521 7.628 -0.455 1.00 18.42 C ATOM 311 C HIS A 46 22.958 8.110 -0.479 1.00 18.38 C ATOM 312 O HIS A 46 23.231 9.262 -0.161 1.00 17.56 O ATOM 313 CB HIS A 46 20.690 8.398 -1.470 1.00 18.82 C ATOM 314 CG HIS A 46 19.320 7.823 -1.672 1.00 19.60 C ATOM 315 ND1 HIS A 46 18.949 7.139 -2.818 1.00 21.20 N ATOM 316 CD2 HIS A 46 18.261 7.761 -0.836 1.00 20.10 C ATOM 317 CE1 HIS A 46 17.705 6.704 -2.676 1.00 21.30 C ATOM 318 NE2 HIS A 46 17.276 7.050 -1.482 1.00 20.70 N ATOM 319 H HIS A 46 21.165 8.698 1.377 1.00 0.00 H ATOM 320 N VAL A 47 23.898 7.216 -0.813 1.00 18.66 N ATOM 321 CA VAL A 47 25.302 7.583 -0.896 1.00 19.20 C ATOM 322 C VAL A 47 25.643 7.883 -2.338 1.00 18.36 C ATOM 323 O VAL A 47 25.465 7.029 -3.211 1.00 19.33 O ATOM 324 CB VAL A 47 26.240 6.515 -0.295 1.00 20.66 C ATOM 325 CG1 VAL A 47 27.682 7.014 -0.319 1.00 21.14 C ATOM 326 CG2 VAL A 47 25.849 6.231 1.147 1.00 21.21 C ATOM 327 H VAL A 47 23.617 6.236 -1.018 1.00 0.00 H ATOM 328 N VAL A 48 26.117 9.094 -2.595 1.00 16.97 N ATOM 329 CA VAL A 48 26.221 9.645 -3.934 1.00 17.17 C ATOM 330 C VAL A 48 27.486 10.446 -4.108 1.00 17.10 C ATOM 331 O VAL A 48 28.105 10.819 -3.120 1.00 16.00 O ATOM 332 CB VAL A 48 25.021 10.573 -4.226 1.00 17.20 C ATOM 333 CG1 VAL A 48 23.717 9.761 -4.241 1.00 17.64 C ATOM 334 CG2 VAL A 48 24.900 11.699 -3.189 1.00 16.89 C ATOM 335 H VAL A 48 26.431 9.680 -1.795 1.00 0.00 H ATOM 336 N PHE A 49 27.904 10.674 -5.361 1.00 17.56 N ATOM 337 CA PHE A 49 29.010 11.580 -5.609 1.00 18.31 C ATOM 338 C PHE A 49 28.692 12.602 -6.678 1.00 17.27 C ATOM 339 O PHE A 49 27.917 12.326 -7.604 1.00 17.19 O ATOM 340 CB PHE A 49 30.322 10.832 -5.915 1.00 21.10 C ATOM 341 CG PHE A 49 30.374 10.163 -7.210 1.00 23.87 C ATOM 342 CD1 PHE A 49 30.023 8.836 -7.329 1.00 25.93 C ATOM 343 CD2 PHE A 49 30.863 10.833 -8.358 1.00 26.01 C ATOM 344 CE1 PHE A 49 30.125 8.177 -8.557 1.00 27.19 C ATOM 345 CE2 PHE A 49 30.945 10.191 -9.584 1.00 27.16 C ATOM 346 CZ PHE A 49 30.590 8.861 -9.685 1.00 27.50 C ATOM 347 H PHE A 49 27.434 10.200 -6.158 1.00 0.00 H ATOM 348 N ASN A 50 29.273 13.791 -6.539 1.00 16.86 N ATOM 349 CA ASN A 50 29.106 14.853 -7.525 1.00 17.35 C ATOM 350 C ASN A 50 30.242 14.827 -8.581 1.00 18.22 C ATOM 351 O ASN A 50 31.173 14.027 -8.496 1.00 18.61 O ATOM 352 CB ASN A 50 28.929 16.215 -6.806 1.00 17.31 C ATOM 353 CG ASN A 50 30.201 16.726 -6.149 1.00 17.50 C ATOM 354 OD1 ASN A 50 31.291 16.213 -6.365 1.00 18.43 O ATOM 355 ND2 ASN A 50 30.071 17.763 -5.387 1.00 17.78 N ATOM 356 HD22 ASN A 50 29.130 18.174 -5.225 1.00 0.00 H ATOM 357 HD21 ASN A 50 30.908 18.186 -4.937 1.00 0.00 H ATOM 358 H ASN A 50 29.864 13.969 -5.702 1.00 0.00 H ATOM 359 N PRO A 51 30.162 15.712 -9.590 1.00 19.13 N ATOM 360 CA PRO A 51 31.197 15.717 -10.638 1.00 20.01 C ATOM 361 C PRO A 51 32.597 16.076 -10.139 1.00 20.24 C ATOM 362 O PRO A 51 33.581 15.720 -10.797 1.00 21.73 O ATOM 363 CB PRO A 51 30.694 16.767 -11.617 1.00 20.26 C ATOM 364 CG PRO A 51 29.203 16.701 -11.457 1.00 19.47 C ATOM 365 CD PRO A 51 28.986 16.522 -9.984 1.00 18.98 C ATOM 366 N ALA A 52 32.694 16.743 -8.993 1.00 19.41 N ATOM 367 CA ALA A 52 33.959 17.041 -8.349 1.00 19.55 C ATOM 368 C ALA A 52 34.490 15.868 -7.527 1.00 19.31 C ATOM 369 O ALA A 52 35.517 16.004 -6.868 1.00 18.75 O ATOM 370 CB ALA A 52 33.837 18.274 -7.489 1.00 19.44 C ATOM 371 H ALA A 52 31.818 17.068 -8.535 1.00 0.00 H ATOM 372 N GLY A 53 33.782 14.746 -7.530 1.00 18.67 N ATOM 373 CA GLY A 53 34.205 13.533 -6.846 1.00 18.97 C ATOM 374 C GLY A 53 33.904 13.495 -5.364 1.00 19.10 C ATOM 375 O GLY A 53 34.325 12.541 -4.680 1.00 19.72 O ATOM 376 H GLY A 53 32.880 14.733 -8.047 1.00 0.00 H ATOM 377 N MET A 54 33.169 14.472 -4.856 1.00 18.74 N ATOM 378 CA MET A 54 32.856 14.526 -3.428 1.00 18.99 C ATOM 379 C MET A 54 31.733 13.523 -3.183 1.00 18.31 C ATOM 380 O MET A 54 30.730 13.541 -3.905 1.00 17.42 O ATOM 381 CB MET A 54 32.408 15.925 -3.008 1.00 20.11 C ATOM 382 CG MET A 54 33.297 17.066 -3.460 1.00 21.65 C ATOM 383 SD MET A 54 32.550 18.618 -2.948 1.00 24.40 S ATOM 384 CE MET A 54 32.476 19.602 -4.438 1.00 23.84 C ATOM 385 H MET A 54 32.807 15.217 -5.485 1.00 0.00 H ATOM 386 N ILE A 55 31.905 12.678 -2.151 1.00 17.67 N ATOM 387 CA ILE A 55 30.914 11.705 -1.716 1.00 17.69 C ATOM 388 C ILE A 55 30.056 12.366 -0.635 1.00 16.41 C ATOM 389 O ILE A 55 30.566 13.106 0.202 1.00 16.88 O ATOM 390 CB ILE A 55 31.560 10.427 -1.116 1.00 18.71 C ATOM 391 CG1 ILE A 55 30.505 9.330 -0.908 1.00 19.19 C ATOM 392 CG2 ILE A 55 32.273 10.681 0.231 1.00 19.13 C ATOM 393 CD1 ILE A 55 31.045 7.974 -0.567 1.00 20.37 C ATOM 394 H ILE A 55 32.804 12.723 -1.630 1.00 0.00 H ATOM 395 N PHE A 56 28.745 12.122 -0.706 1.00 15.56 N ATOM 396 CA PHE A 56 27.803 12.628 0.288 1.00 15.18 C ATOM 397 C PHE A 56 26.932 11.466 0.709 1.00 15.36 C ATOM 398 O PHE A 56 26.486 10.669 -0.121 1.00 16.03 O ATOM 399 CB PHE A 56 26.909 13.719 -0.253 1.00 14.82 C ATOM 400 CG PHE A 56 27.635 14.894 -0.844 1.00 14.91 C ATOM 401 CD1 PHE A 56 27.995 15.986 -0.063 1.00 15.09 C ATOM 402 CD2 PHE A 56 27.943 14.927 -2.192 1.00 15.30 C ATOM 403 CE1 PHE A 56 28.659 17.072 -0.629 1.00 15.13 C ATOM 404 CE2 PHE A 56 28.558 16.030 -2.757 1.00 15.64 C ATOM 405 CZ PHE A 56 28.922 17.093 -1.969 1.00 15.69 C ATOM 406 H PHE A 56 28.383 11.552 -1.497 1.00 0.00 H ATOM 407 N ARG A 57 26.697 11.428 2.021 1.00 15.21 N ATOM 408 CA ARG A 57 25.695 10.536 2.585 1.00 15.69 C ATOM 409 C ARG A 57 24.464 11.416 2.782 1.00 14.16 C ATOM 410 O ARG A 57 24.426 12.258 3.687 1.00 13.77 O ATOM 411 CB ARG A 57 26.189 9.974 3.891 1.00 18.11 C ATOM 412 CG ARG A 57 25.186 9.093 4.607 1.00 20.53 C ATOM 413 CD ARG A 57 25.458 8.944 6.090 1.00 22.90 C ATOM 414 NE ARG A 57 26.734 8.270 6.300 1.00 25.57 N ATOM 415 CZ ARG A 57 26.896 7.015 6.719 1.00 27.68 C ATOM 416 NH1 ARG A 57 25.848 6.240 7.027 1.00 29.23 N ATOM 417 NH2 ARG A 57 28.133 6.526 6.870 1.00 29.21 N ATOM 418 HE ARG A 57 27.596 8.818 6.105 1.00 0.00 H ATOM 419 HH12 ARG A 57 26.001 5.264 7.352 1.00 0.00 H ATOM 420 HH11 ARG A 57 24.881 6.614 6.941 1.00 0.00 H ATOM 421 HH22 ARG A 57 28.269 5.548 7.196 1.00 0.00 H ATOM 422 HH21 ARG A 57 28.958 7.124 6.661 1.00 0.00 H ATOM 423 H ARG A 57 27.241 12.048 2.654 1.00 0.00 H ATOM 424 N VAL A 58 23.510 11.260 1.879 1.00 13.31 N ATOM 425 CA VAL A 58 22.362 12.169 1.780 1.00 12.76 C ATOM 426 C VAL A 58 21.194 11.461 2.440 1.00 12.86 C ATOM 427 O VAL A 58 20.930 10.286 2.161 1.00 13.30 O ATOM 428 CB VAL A 58 22.039 12.489 0.327 1.00 12.77 C ATOM 429 CG1 VAL A 58 20.693 13.173 0.167 1.00 12.72 C ATOM 430 CG2 VAL A 58 23.162 13.299 -0.304 1.00 12.42 C ATOM 431 H VAL A 58 23.576 10.463 1.214 1.00 0.00 H ATOM 432 N TRP A 59 20.540 12.188 3.353 1.00 12.01 N ATOM 433 CA TRP A 59 19.313 11.701 3.966 1.00 12.74 C ATOM 434 C TRP A 59 18.186 12.507 3.364 1.00 12.11 C ATOM 435 O TRP A 59 18.230 13.739 3.317 1.00 11.96 O ATOM 436 CB TRP A 59 19.374 11.858 5.485 1.00 13.62 C ATOM 437 CG TRP A 59 20.167 10.729 6.151 1.00 15.26 C ATOM 438 CD1 TRP A 59 21.081 9.874 5.558 1.00 16.41 C ATOM 439 CD2 TRP A 59 20.081 10.332 7.512 1.00 16.37 C ATOM 440 NE1 TRP A 59 21.556 8.974 6.497 1.00 17.02 N ATOM 441 CE2 TRP A 59 20.949 9.235 7.694 1.00 17.17 C ATOM 442 CE3 TRP A 59 19.322 10.775 8.592 1.00 17.25 C ATOM 443 CZ2 TRP A 59 21.095 8.592 8.933 1.00 18.07 C ATOM 444 CZ3 TRP A 59 19.465 10.144 9.815 1.00 18.45 C ATOM 445 CH2 TRP A 59 20.376 9.079 9.980 1.00 18.95 C ATOM 446 HE1 TRP A 59 22.256 8.226 6.321 1.00 0.00 H ATOM 447 H TRP A 59 20.915 13.118 3.630 1.00 0.00 H ATOM 448 N CYS A 60 17.140 11.803 2.940 1.00 12.10 N ATOM 449 CA CYS A 60 15.990 12.446 2.302 1.00 12.13 C ATOM 450 C CYS A 60 14.948 12.750 3.349 1.00 12.02 C ATOM 451 O CYS A 60 14.629 11.899 4.217 1.00 12.28 O ATOM 452 CB CYS A 60 15.418 11.543 1.252 1.00 12.82 C ATOM 453 SG CYS A 60 16.617 11.133 -0.074 1.00 13.89 S ATOM 454 H CYS A 60 17.139 10.771 3.065 1.00 0.00 H ATOM 455 N PHE A 61 14.401 13.969 3.275 1.00 11.38 N ATOM 456 CA PHE A 61 13.377 14.452 4.200 1.00 11.44 C ATOM 457 C PHE A 61 12.232 15.009 3.362 1.00 11.44 C ATOM 458 O PHE A 61 12.423 15.635 2.299 1.00 10.90 O ATOM 459 CB PHE A 61 13.931 15.577 5.057 1.00 11.45 C ATOM 460 CG PHE A 61 14.948 15.136 6.069 1.00 11.63 C ATOM 461 CD1 PHE A 61 16.283 15.101 5.737 1.00 11.68 C ATOM 462 CD2 PHE A 61 14.599 14.820 7.396 1.00 12.03 C ATOM 463 CE1 PHE A 61 17.238 14.735 6.668 1.00 11.75 C ATOM 464 CE2 PHE A 61 15.551 14.447 8.322 1.00 12.28 C ATOM 465 CZ PHE A 61 16.884 14.435 7.971 1.00 12.05 C ATOM 466 H PHE A 61 14.722 14.607 2.519 1.00 0.00 H ATOM 467 N SER A 62 11.003 14.760 3.838 1.00 12.02 N ATOM 468 CA SER A 62 9.844 15.318 3.159 1.00 12.42 C ATOM 469 C SER A 62 9.763 16.834 3.280 1.00 12.48 C ATOM 470 O SER A 62 9.218 17.514 2.403 1.00 13.01 O ATOM 471 CB SER A 62 8.586 14.688 3.727 1.00 12.86 C ATOM 472 OG SER A 62 8.550 13.319 3.362 1.00 13.14 O ATOM 473 HG SER A 62 7.731 12.902 3.730 1.00 0.00 H ATOM 474 H SER A 62 10.880 14.172 4.687 1.00 0.00 H ATOM 475 N LEU A 63 10.261 17.356 4.385 1.00 12.94 N ATOM 476 CA LEU A 63 10.121 18.738 4.782 1.00 13.74 C ATOM 477 C LEU A 63 11.406 19.139 5.480 1.00 13.19 C ATOM 478 O LEU A 63 12.071 18.330 6.122 1.00 13.09 O ATOM 479 CB LEU A 63 8.965 18.782 5.778 1.00 15.41 C ATOM 480 CG LEU A 63 8.485 20.000 6.422 1.00 17.03 C ATOM 481 CD1 LEU A 63 8.150 20.961 5.346 1.00 17.73 C ATOM 482 CD2 LEU A 63 7.228 19.558 7.175 1.00 17.97 C ATOM 483 H LEU A 63 10.794 16.725 5.017 1.00 0.00 H ATOM 484 N ALA A 64 11.702 20.410 5.402 1.00 13.04 N ATOM 485 CA ALA A 64 12.786 21.051 6.142 1.00 13.15 C ATOM 486 C ALA A 64 12.442 22.516 6.263 1.00 13.70 C ATOM 487 O ALA A 64 11.584 23.034 5.577 1.00 14.15 O ATOM 488 CB ALA A 64 14.127 20.874 5.459 1.00 12.59 C ATOM 489 H ALA A 64 11.127 21.004 4.771 1.00 0.00 H ATOM 490 N GLN A 65 13.139 23.191 7.156 1.00 13.87 N ATOM 491 CA GLN A 65 12.960 24.607 7.411 1.00 14.25 C ATOM 492 C GLN A 65 14.316 25.214 7.656 1.00 13.14 C ATOM 493 O GLN A 65 15.308 24.491 7.786 1.00 12.13 O ATOM 494 CB GLN A 65 12.095 24.809 8.655 1.00 16.04 C ATOM 495 CG GLN A 65 12.646 24.170 9.899 1.00 17.97 C ATOM 496 CD GLN A 65 11.740 24.230 11.077 1.00 20.01 C ATOM 497 OE1 GLN A 65 11.076 23.248 11.391 1.00 23.70 O ATOM 498 NE2 GLN A 65 11.692 25.362 11.741 1.00 23.44 N ATOM 499 HE22 GLN A 65 12.274 26.168 11.437 1.00 0.00 H ATOM 500 HE21 GLN A 65 11.072 25.452 12.571 1.00 0.00 H ATOM 501 H GLN A 65 13.857 22.679 7.708 1.00 0.00 H ATOM 502 N GLY A 66 14.390 26.525 7.766 1.00 12.98 N ATOM 503 CA GLY A 66 15.647 27.152 8.178 1.00 12.77 C ATOM 504 C GLY A 66 16.718 27.220 7.115 1.00 12.66 C ATOM 505 O GLY A 66 17.843 27.609 7.395 1.00 12.40 O ATOM 506 H GLY A 66 13.557 27.113 7.561 1.00 0.00 H ATOM 507 N LEU A 67 16.395 26.830 5.894 1.00 12.39 N ATOM 508 CA LEU A 67 17.334 26.823 4.791 1.00 13.05 C ATOM 509 C LEU A 67 17.091 28.041 3.943 1.00 13.86 C ATOM 510 O LEU A 67 16.118 28.772 4.145 1.00 14.44 O ATOM 511 CB LEU A 67 17.135 25.576 3.921 1.00 12.47 C ATOM 512 CG LEU A 67 17.352 24.248 4.636 1.00 12.28 C ATOM 513 CD1 LEU A 67 16.659 23.120 3.892 1.00 12.30 C ATOM 514 CD2 LEU A 67 18.844 23.991 4.886 1.00 12.18 C ATOM 515 H LEU A 67 15.420 26.513 5.717 1.00 0.00 H ATOM 516 N ARG A 68 18.023 28.298 3.024 1.00 14.85 N ATOM 517 CA ARG A 68 17.871 29.289 1.975 1.00 16.52 C ATOM 518 C ARG A 68 18.206 28.575 0.690 1.00 15.90 C ATOM 519 O ARG A 68 19.308 28.034 0.549 1.00 14.51 O ATOM 520 CB ARG A 68 18.853 30.439 2.173 1.00 18.89 C ATOM 521 CG ARG A 68 18.643 31.589 1.233 1.00 22.27 C ATOM 522 CD ARG A 68 19.285 32.868 1.784 1.00 24.90 C ATOM 523 NE ARG A 68 20.673 33.015 1.370 1.00 27.80 N ATOM 524 CZ ARG A 68 21.764 32.645 2.042 1.00 29.74 C ATOM 525 NH1 ARG A 68 22.948 32.903 1.493 1.00 32.07 N ATOM 526 NH2 ARG A 68 21.725 32.047 3.244 1.00 32.06 N ATOM 527 HE ARG A 68 20.832 33.460 0.443 1.00 0.00 H ATOM 528 HH12 ARG A 68 23.821 32.629 1.987 1.00 0.00 H ATOM 529 HH11 ARG A 68 23.000 33.378 0.569 1.00 0.00 H ATOM 530 HH22 ARG A 68 22.610 31.781 3.721 1.00 0.00 H ATOM 531 HH21 ARG A 68 20.810 31.850 3.697 1.00 0.00 H ATOM 532 H ARG A 68 18.910 27.757 3.061 1.00 0.00 H ATOM 533 N LEU A 69 17.247 28.539 -0.241 1.00 16.39 N ATOM 534 CA LEU A 69 17.429 27.817 -1.492 1.00 17.53 C ATOM 535 C LEU A 69 17.924 28.820 -2.522 1.00 18.91 C ATOM 536 O LEU A 69 17.307 29.894 -2.689 1.00 19.98 O ATOM 537 CB LEU A 69 16.104 27.177 -1.908 1.00 17.40 C ATOM 538 CG LEU A 69 15.422 26.322 -0.830 1.00 17.84 C ATOM 539 CD1 LEU A 69 14.112 25.736 -1.317 1.00 18.77 C ATOM 540 CD2 LEU A 69 16.367 25.223 -0.367 1.00 17.47 C ATOM 541 H LEU A 69 16.351 29.038 -0.068 1.00 0.00 H ATOM 542 N ILE A 70 19.035 28.495 -3.184 1.00 19.68 N ATOM 543 CA ILE A 70 19.811 29.421 -3.994 1.00 21.72 C ATOM 544 C ILE A 70 19.670 29.113 -5.479 1.00 22.33 C ATOM 545 O ILE A 70 19.863 27.976 -5.884 1.00 21.80 O ATOM 546 CB ILE A 70 21.308 29.249 -3.689 1.00 23.26 C ATOM 547 CG1 ILE A 70 21.590 29.390 -2.203 1.00 24.07 C ATOM 548 CG2 ILE A 70 22.143 30.225 -4.509 1.00 24.48 C ATOM 549 CD1 ILE A 70 21.158 30.714 -1.645 1.00 24.50 C ATOM 550 H ILE A 70 19.369 27.513 -3.117 1.00 0.00 H ATOM 551 N GLY A 71 19.311 30.137 -6.254 1.00 23.33 N ATOM 552 CA GLY A 71 19.190 29.991 -7.702 1.00 24.47 C ATOM 553 C GLY A 71 17.955 29.262 -8.181 1.00 24.62 C ATOM 554 O GLY A 71 17.028 29.005 -7.433 1.00 26.22 O ATOM 555 H GLY A 71 19.113 31.060 -5.818 1.00 0.00 H ATOM 556 N ALA A 72 17.958 28.949 -9.467 1.00 24.43 N ATOM 557 CA ALA A 72 16.882 28.250 -10.136 1.00 23.07 C ATOM 558 C ALA A 72 17.228 26.754 -10.234 1.00 21.06 C ATOM 559 O ALA A 72 18.410 26.400 -10.220 1.00 21.84 O ATOM 560 CB ALA A 72 16.696 28.823 -11.525 1.00 24.02 C ATOM 561 H ALA A 72 18.787 29.223 -10.033 1.00 0.00 H ATOM 562 N PRO A 73 16.207 25.893 -10.385 1.00 19.26 N ATOM 563 CA PRO A 73 16.472 24.467 -10.410 1.00 18.08 C ATOM 564 C PRO A 73 17.266 24.003 -11.616 1.00 17.52 C ATOM 565 O PRO A 73 17.155 24.588 -12.678 1.00 18.75 O ATOM 566 CB PRO A 73 15.069 23.833 -10.417 1.00 18.25 C ATOM 567 CG PRO A 73 14.151 24.899 -9.971 1.00 18.31 C ATOM 568 CD PRO A 73 14.761 26.157 -10.436 1.00 19.19 C ATOM 569 N SER A 74 18.036 22.944 -11.452 1.00 15.72 N ATOM 570 CA SER A 74 18.756 22.306 -12.540 1.00 15.66 C ATOM 571 C SER A 74 18.549 20.818 -12.523 1.00 15.08 C ATOM 572 O SER A 74 18.563 20.228 -11.445 1.00 14.61 O ATOM 573 CB SER A 74 20.269 22.591 -12.419 1.00 16.07 C ATOM 574 OG SER A 74 21.001 21.925 -13.441 1.00 17.27 O ATOM 575 HG SER A 74 21.965 22.125 -13.339 1.00 0.00 H ATOM 576 H SER A 74 18.132 22.546 -10.496 1.00 0.00 H ATOM 577 N GLY A 75 18.366 20.188 -13.674 1.00 15.10 N ATOM 578 CA GLY A 75 18.346 18.724 -13.755 1.00 15.32 C ATOM 579 C GLY A 75 19.694 18.063 -13.948 1.00 16.26 C ATOM 580 O GLY A 75 19.796 16.850 -13.903 1.00 15.74 O ATOM 581 H GLY A 75 18.233 20.746 -14.542 1.00 0.00 H ATOM 582 N GLU A 76 20.729 18.860 -14.156 1.00 17.54 N ATOM 583 CA GLU A 76 22.076 18.364 -14.475 1.00 19.25 C ATOM 584 C GLU A 76 22.604 17.490 -13.341 1.00 18.13 C ATOM 585 O GLU A 76 22.606 17.887 -12.199 1.00 17.43 O ATOM 586 CB GLU A 76 23.023 19.539 -14.758 1.00 21.72 C ATOM 587 CG GLU A 76 22.591 20.280 -16.000 1.00 24.55 C ATOM 588 CD GLU A 76 23.510 21.392 -16.427 1.00 27.55 C ATOM 589 OE1 GLU A 76 24.510 21.678 -15.745 1.00 30.84 O ATOM 590 OE2 GLU A 76 23.198 21.980 -17.481 1.00 32.00 O ATOM 591 H GLU A 76 20.583 19.888 -14.091 1.00 0.00 H ATOM 592 N PHE A 77 23.067 16.295 -13.675 1.00 18.38 N ATOM 593 CA PHE A 77 23.694 15.368 -12.721 1.00 18.43 C ATOM 594 C PHE A 77 22.766 14.982 -11.555 1.00 16.61 C ATOM 595 O PHE A 77 23.249 14.522 -10.550 1.00 15.88 O ATOM 596 CB PHE A 77 25.010 15.933 -12.132 1.00 19.98 C ATOM 597 CG PHE A 77 25.955 16.496 -13.146 1.00 22.06 C ATOM 598 CD1 PHE A 77 26.581 15.679 -14.022 1.00 23.67 C ATOM 599 CD2 PHE A 77 26.177 17.865 -13.220 1.00 23.28 C ATOM 600 CE1 PHE A 77 27.482 16.176 -14.972 1.00 24.44 C ATOM 601 CE2 PHE A 77 27.042 18.394 -14.166 1.00 24.44 C ATOM 602 CZ PHE A 77 27.698 17.545 -15.040 1.00 24.88 C ATOM 603 H PHE A 77 22.982 15.995 -14.667 1.00 0.00 H ATOM 604 N SER A 78 21.454 15.122 -11.684 1.00 14.96 N ATOM 605 CA SER A 78 20.586 14.857 -10.557 1.00 14.13 C ATOM 606 C SER A 78 20.686 13.394 -10.139 1.00 14.11 C ATOM 607 O SER A 78 20.613 12.478 -10.943 1.00 14.41 O ATOM 608 CB SER A 78 19.115 15.138 -10.879 1.00 13.94 C ATOM 609 OG SER A 78 18.350 14.885 -9.733 1.00 13.39 O ATOM 610 HG SER A 78 17.396 15.063 -9.929 1.00 0.00 H ATOM 611 H SER A 78 21.049 15.422 -12.594 1.00 0.00 H ATOM 612 N TRP A 79 20.827 13.181 -8.841 1.00 13.63 N ATOM 613 CA TRP A 79 20.880 11.856 -8.259 1.00 14.01 C ATOM 614 C TRP A 79 19.514 11.171 -8.163 1.00 14.28 C ATOM 615 O TRP A 79 19.445 9.980 -7.813 1.00 15.37 O ATOM 616 CB TRP A 79 21.513 11.926 -6.879 1.00 13.77 C ATOM 617 CG TRP A 79 22.911 12.405 -6.878 1.00 13.77 C ATOM 618 CD1 TRP A 79 23.956 11.970 -7.648 1.00 14.23 C ATOM 619 CD2 TRP A 79 23.449 13.384 -5.992 1.00 13.30 C ATOM 620 NE1 TRP A 79 25.106 12.647 -7.307 1.00 14.07 N ATOM 621 CE2 TRP A 79 24.820 13.515 -6.281 1.00 13.61 C ATOM 622 CE3 TRP A 79 22.897 14.170 -4.966 1.00 12.81 C ATOM 623 CZ2 TRP A 79 25.628 14.403 -5.592 1.00 13.79 C ATOM 624 CZ3 TRP A 79 23.711 15.044 -4.291 1.00 12.95 C ATOM 625 CH2 TRP A 79 25.067 15.138 -4.595 1.00 13.35 C ATOM 626 HE1 TRP A 79 26.037 12.522 -7.753 1.00 0.00 H ATOM 627 H TRP A 79 20.903 14.003 -8.209 1.00 0.00 H ATOM 628 N PHE A 80 18.440 11.889 -8.433 1.00 13.69 N ATOM 629 CA PHE A 80 17.096 11.374 -8.254 1.00 13.78 C ATOM 630 C PHE A 80 16.340 11.610 -9.537 1.00 14.04 C ATOM 631 O PHE A 80 16.097 12.749 -9.937 1.00 13.52 O ATOM 632 CB PHE A 80 16.405 12.017 -7.036 1.00 13.41 C ATOM 633 CG PHE A 80 17.141 11.796 -5.743 1.00 13.63 C ATOM 634 CD1 PHE A 80 16.938 10.635 -5.020 1.00 13.95 C ATOM 635 CD2 PHE A 80 18.006 12.731 -5.271 1.00 13.25 C ATOM 636 CE1 PHE A 80 17.538 10.443 -3.779 1.00 14.21 C ATOM 637 CE2 PHE A 80 18.685 12.519 -4.055 1.00 13.43 C ATOM 638 CZ PHE A 80 18.444 11.364 -3.313 1.00 13.61 C ATOM 639 H PHE A 80 18.562 12.859 -8.787 1.00 0.00 H ATOM 640 N LYS A 81 16.015 10.489 -10.194 1.00 15.33 N ATOM 641 CA LYS A 81 15.394 10.542 -11.506 1.00 15.98 C ATOM 642 C LYS A 81 14.101 11.331 -11.475 1.00 14.67 C ATOM 643 O LYS A 81 13.248 11.124 -10.612 1.00 14.68 O ATOM 644 CB LYS A 81 15.128 9.109 -12.035 1.00 17.78 C ATOM 645 CG LYS A 81 14.510 9.015 -13.424 1.00 19.31 C ATOM 646 CD LYS A 81 13.994 7.599 -13.722 1.00 21.10 C ATOM 647 H LYS A 81 16.210 9.565 -9.758 1.00 0.00 H ATOM 648 N GLY A 82 13.985 12.271 -12.414 1.00 14.06 N ATOM 649 CA GLY A 82 12.798 13.100 -12.535 1.00 13.42 C ATOM 650 C GLY A 82 12.795 14.367 -11.728 1.00 12.79 C ATOM 651 O GLY A 82 11.894 15.165 -11.852 1.00 12.61 O ATOM 652 H GLY A 82 14.770 12.415 -13.081 1.00 0.00 H ATOM 653 N TYR A 83 13.818 14.588 -10.905 1.00 12.06 N ATOM 654 CA TYR A 83 13.891 15.775 -10.054 1.00 11.52 C ATOM 655 C TYR A 83 15.005 16.720 -10.461 1.00 11.64 C ATOM 656 O TYR A 83 16.072 16.290 -10.901 1.00 12.16 O ATOM 657 CB TYR A 83 14.127 15.407 -8.594 1.00 11.13 C ATOM 658 CG TYR A 83 13.037 14.600 -7.999 1.00 11.03 C ATOM 659 CD1 TYR A 83 11.931 15.191 -7.393 1.00 11.02 C ATOM 660 CD2 TYR A 83 13.115 13.223 -8.009 1.00 11.24 C ATOM 661 CE1 TYR A 83 10.931 14.406 -6.838 1.00 11.02 C ATOM 662 CE2 TYR A 83 12.128 12.428 -7.434 1.00 11.45 C ATOM 663 CZ TYR A 83 11.029 13.030 -6.885 1.00 11.26 C ATOM 664 OH TYR A 83 10.026 12.274 -6.334 1.00 12.10 O ATOM 665 HH TYR A 83 9.316 12.871 -5.988 1.00 0.00 H ATOM 666 H TYR A 83 14.591 13.893 -10.866 1.00 0.00 H ATOM 667 N ASP A 84 14.722 17.999 -10.313 1.00 12.06 N ATOM 668 CA ASP A 84 15.656 19.079 -10.528 1.00 12.72 C ATOM 669 C ASP A 84 16.022 19.566 -9.149 1.00 12.62 C ATOM 670 O ASP A 84 15.217 19.460 -8.236 1.00 12.95 O ATOM 671 CB ASP A 84 14.970 20.175 -11.345 1.00 13.95 C ATOM 672 CG ASP A 84 14.317 19.559 -12.604 1.00 15.13 C ATOM 673 OD1 ASP A 84 15.113 18.937 -13.354 1.00 17.19 O ATOM 674 OD2 ASP A 84 13.064 19.611 -12.809 1.00 17.17 O ATOM 675 H ASP A 84 13.756 18.248 -10.020 1.00 0.00 H ATOM 676 N TRP A 85 17.230 20.093 -9.006 1.00 12.41 N ATOM 677 CA TRP A 85 17.746 20.476 -7.651 1.00 12.69 C ATOM 678 C TRP A 85 18.131 21.936 -7.577 1.00 12.57 C ATOM 679 O TRP A 85 18.510 22.564 -8.584 1.00 12.74 O ATOM 680 CB TRP A 85 18.929 19.617 -7.257 1.00 13.17 C ATOM 681 CG TRP A 85 20.031 19.552 -8.269 1.00 13.59 C ATOM 682 CD1 TRP A 85 20.193 18.599 -9.227 1.00 14.22 C ATOM 683 CD2 TRP A 85 21.103 20.497 -8.455 1.00 14.16 C ATOM 684 NE1 TRP A 85 21.293 18.901 -9.987 1.00 14.79 N ATOM 685 CE2 TRP A 85 21.842 20.081 -9.566 1.00 14.74 C ATOM 686 CE3 TRP A 85 21.496 21.677 -7.786 1.00 14.36 C ATOM 687 CZ2 TRP A 85 22.951 20.787 -10.027 1.00 15.57 C ATOM 688 CZ3 TRP A 85 22.585 22.387 -8.253 1.00 15.14 C ATOM 689 CH2 TRP A 85 23.314 21.927 -9.355 1.00 15.76 C ATOM 690 HE1 TRP A 85 21.657 18.319 -10.768 1.00 0.00 H ATOM 691 H TRP A 85 17.827 20.243 -9.844 1.00 0.00 H ATOM 692 N THR A 86 18.061 22.445 -6.346 1.00 12.45 N ATOM 693 CA THR A 86 18.585 23.754 -5.995 1.00 12.81 C ATOM 694 C THR A 86 19.416 23.539 -4.755 1.00 12.50 C ATOM 695 O THR A 86 19.090 22.714 -3.894 1.00 12.88 O ATOM 696 CB THR A 86 17.530 24.811 -5.682 1.00 13.35 C ATOM 697 OG1 THR A 86 16.636 24.351 -4.680 1.00 13.91 O ATOM 698 CG2 THR A 86 16.775 25.247 -6.934 1.00 13.76 C ATOM 699 HG1 THR A 86 15.962 25.052 -4.494 1.00 0.00 H ATOM 700 H THR A 86 17.609 21.877 -5.601 1.00 0.00 H ATOM 701 N ILE A 87 20.509 24.264 -4.672 1.00 12.40 N ATOM 702 CA ILE A 87 21.386 24.197 -3.489 1.00 12.08 C ATOM 703 C ILE A 87 20.633 24.766 -2.289 1.00 11.66 C ATOM 704 O ILE A 87 19.953 25.827 -2.391 1.00 12.01 O ATOM 705 CB ILE A 87 22.665 25.027 -3.762 1.00 13.14 C ATOM 706 CG1 ILE A 87 23.526 24.266 -4.768 1.00 14.00 C ATOM 707 CG2 ILE A 87 23.445 25.309 -2.477 1.00 13.25 C ATOM 708 CD1 ILE A 87 24.535 25.152 -5.474 1.00 15.15 C ATOM 709 H ILE A 87 20.760 24.898 -5.457 1.00 0.00 H ATOM 710 N ALA A 88 20.756 24.053 -1.166 1.00 10.75 N ATOM 711 CA ALA A 88 20.135 24.468 0.091 1.00 10.46 C ATOM 712 C ALA A 88 21.243 24.821 1.078 1.00 10.37 C ATOM 713 O ALA A 88 22.064 23.970 1.447 1.00 10.34 O ATOM 714 CB ALA A 88 19.259 23.367 0.629 1.00 10.15 C ATOM 715 H ALA A 88 21.312 23.174 -1.186 1.00 0.00 H ATOM 716 N LEU A 89 21.281 26.089 1.483 1.00 10.60 N ATOM 717 CA LEU A 89 22.227 26.540 2.499 1.00 10.71 C ATOM 718 C LEU A 89 21.482 26.677 3.798 1.00 10.72 C ATOM 719 O LEU A 89 20.276 26.936 3.802 1.00 11.01 O ATOM 720 CB LEU A 89 22.801 27.896 2.102 1.00 11.28 C ATOM 721 CG LEU A 89 23.491 27.979 0.738 1.00 11.54 C ATOM 722 CD1 LEU A 89 24.065 29.381 0.581 1.00 12.31 C ATOM 723 CD2 LEU A 89 24.587 26.934 0.623 1.00 11.27 C ATOM 724 H LEU A 89 20.620 26.775 1.065 1.00 0.00 H ATOM 725 N CYS A 90 22.195 26.554 4.899 1.00 10.53 N ATOM 726 CA CYS A 90 21.660 27.014 6.179 1.00 10.59 C ATOM 727 C CYS A 90 21.304 28.493 6.035 1.00 10.91 C ATOM 728 O CYS A 90 22.121 29.318 5.599 1.00 11.11 O ATOM 729 CB CYS A 90 22.666 26.853 7.276 1.00 10.40 C ATOM 730 SG CYS A 90 22.054 27.452 8.877 1.00 10.41 S ATOM 731 H CYS A 90 23.143 26.128 4.857 1.00 0.00 H ATOM 732 N GLY A 91 20.056 28.826 6.370 1.00 11.05 N ATOM 733 CA GLY A 91 19.574 30.188 6.260 1.00 11.71 C ATOM 734 C GLY A 91 20.195 31.127 7.245 1.00 12.18 C ATOM 735 O GLY A 91 20.129 32.327 7.051 1.00 13.38 O ATOM 736 H GLY A 91 19.412 28.088 6.719 1.00 0.00 H ATOM 737 N GLN A 92 20.775 30.586 8.303 1.00 11.91 N ATOM 738 CA GLN A 92 21.383 31.383 9.351 1.00 12.31 C ATOM 739 C GLN A 92 22.862 31.639 9.038 1.00 12.44 C ATOM 740 O GLN A 92 23.289 32.770 8.943 1.00 13.08 O ATOM 741 CB GLN A 92 21.177 30.676 10.685 1.00 12.35 C ATOM 742 CG GLN A 92 21.737 31.453 11.875 1.00 12.59 C ATOM 743 CD GLN A 92 21.074 31.049 13.183 1.00 12.69 C ATOM 744 OE1 GLN A 92 20.107 31.663 13.593 1.00 13.30 O ATOM 745 NE2 GLN A 92 21.529 29.971 13.783 1.00 12.13 N ATOM 746 HE22 GLN A 92 22.359 29.474 13.401 1.00 0.00 H ATOM 747 HE21 GLN A 92 21.059 29.615 14.640 1.00 0.00 H ATOM 748 H GLN A 92 20.796 29.550 8.387 1.00 0.00 H ATOM 749 N CYS A 93 23.636 30.570 8.841 1.00 11.98 N ATOM 750 CA CYS A 93 25.099 30.713 8.699 1.00 12.27 C ATOM 751 C CYS A 93 25.678 30.501 7.293 1.00 12.42 C ATOM 752 O CYS A 93 26.848 30.753 7.088 1.00 12.93 O ATOM 753 CB CYS A 93 25.790 29.795 9.669 1.00 11.94 C ATOM 754 SG CYS A 93 25.906 28.044 9.157 1.00 11.62 S ATOM 755 H CYS A 93 23.204 29.625 8.787 1.00 0.00 H ATOM 756 N GLY A 94 24.856 30.008 6.359 1.00 12.14 N ATOM 757 CA GLY A 94 25.301 29.805 4.986 1.00 12.41 C ATOM 758 C GLY A 94 25.977 28.486 4.703 1.00 12.26 C ATOM 759 O GLY A 94 26.391 28.258 3.566 1.00 12.51 O ATOM 760 H GLY A 94 23.879 29.765 6.618 1.00 0.00 H ATOM 761 N SER A 95 26.115 27.608 5.701 1.00 12.28 N ATOM 762 CA SER A 95 26.703 26.271 5.507 1.00 12.23 C ATOM 763 C SER A 95 25.908 25.523 4.431 1.00 11.65 C ATOM 764 O SER A 95 24.684 25.555 4.424 1.00 11.51 O ATOM 765 CB SER A 95 26.639 25.477 6.811 1.00 12.81 C ATOM 766 OG SER A 95 27.133 24.153 6.675 1.00 13.84 O ATOM 767 HG SER A 95 28.079 24.183 6.385 1.00 0.00 H ATOM 768 H SER A 95 25.795 27.879 6.653 1.00 0.00 H ATOM 769 N HIS A 96 26.606 24.837 3.533 1.00 11.49 N ATOM 770 CA HIS A 96 25.888 24.061 2.529 1.00 11.33 C ATOM 771 C HIS A 96 25.371 22.782 3.165 1.00 10.71 C ATOM 772 O HIS A 96 26.145 21.921 3.504 1.00 10.79 O ATOM 773 CB HIS A 96 26.812 23.752 1.363 1.00 12.06 C ATOM 774 CG HIS A 96 26.163 22.900 0.345 1.00 12.38 C ATOM 775 ND1 HIS A 96 26.885 22.063 -0.468 1.00 13.50 N ATOM 776 CD2 HIS A 96 24.863 22.788 -0.026 1.00 12.58 C ATOM 777 CE1 HIS A 96 26.042 21.449 -1.282 1.00 13.24 C ATOM 778 NE2 HIS A 96 24.812 21.849 -1.020 1.00 12.91 N ATOM 779 H HIS A 96 27.646 24.853 3.546 1.00 0.00 H ATOM 780 N LEU A 97 24.055 22.662 3.336 1.00 9.80 N ATOM 781 CA LEU A 97 23.447 21.522 4.009 1.00 9.77 C ATOM 782 C LEU A 97 22.881 20.447 3.092 1.00 9.56 C ATOM 783 O LEU A 97 22.638 19.344 3.539 1.00 9.83 O ATOM 784 CB LEU A 97 22.370 21.983 4.989 1.00 9.96 C ATOM 785 CG LEU A 97 22.888 22.846 6.152 1.00 10.39 C ATOM 786 CD1 LEU A 97 21.764 23.110 7.143 1.00 10.58 C ATOM 787 CD2 LEU A 97 24.086 22.280 6.896 1.00 10.65 C ATOM 788 H LEU A 97 23.435 23.414 2.973 1.00 0.00 H ATOM 789 N GLY A 98 22.648 20.781 1.831 1.00 9.58 N ATOM 790 CA GLY A 98 22.136 19.831 0.878 1.00 9.42 C ATOM 791 C GLY A 98 21.472 20.474 -0.294 1.00 9.50 C ATOM 792 O GLY A 98 21.962 21.472 -0.814 1.00 9.62 O ATOM 793 H GLY A 98 22.840 21.755 1.522 1.00 0.00 H ATOM 794 N TRP A 99 20.352 19.891 -0.715 1.00 9.57 N ATOM 795 CA TRP A 99 19.652 20.301 -1.930 1.00 9.72 C ATOM 796 C TRP A 99 18.169 20.164 -1.713 1.00 9.78 C ATOM 797 O TRP A 99 17.728 19.301 -0.952 1.00 9.44 O ATOM 798 CB TRP A 99 20.075 19.436 -3.134 1.00 10.11 C ATOM 799 CG TRP A 99 21.541 19.510 -3.422 1.00 10.58 C ATOM 800 CD1 TRP A 99 22.170 20.371 -4.277 1.00 11.09 C ATOM 801 CD2 TRP A 99 22.576 18.723 -2.821 1.00 10.85 C ATOM 802 NE1 TRP A 99 23.518 20.185 -4.213 1.00 11.66 N ATOM 803 CE2 TRP A 99 23.796 19.162 -3.362 1.00 11.20 C ATOM 804 CE3 TRP A 99 22.593 17.711 -1.854 1.00 10.93 C ATOM 805 CZ2 TRP A 99 25.024 18.606 -2.979 1.00 11.77 C ATOM 806 CZ3 TRP A 99 23.825 17.173 -1.468 1.00 11.30 C ATOM 807 CH2 TRP A 99 25.012 17.642 -2.011 1.00 11.48 C ATOM 808 HE1 TRP A 99 24.226 20.740 -4.735 1.00 0.00 H ATOM 809 H TRP A 99 19.958 19.109 -0.154 1.00 0.00 H ATOM 810 N HIS A 100 17.415 21.019 -2.403 1.00 10.24 N ATOM 811 CA HIS A 100 15.977 20.844 -2.514 1.00 10.61 C ATOM 812 C HIS A 100 15.690 20.287 -3.900 1.00 10.43 C ATOM 813 O HIS A 100 16.257 20.777 -4.882 1.00 11.14 O ATOM 814 CB HIS A 100 15.238 22.156 -2.298 1.00 11.49 C ATOM 815 CG HIS A 100 13.752 22.024 -2.306 1.00 12.24 C ATOM 816 ND1 HIS A 100 13.026 21.260 -1.424 1.00 13.37 N ATOM 817 CD2 HIS A 100 12.849 22.603 -3.131 1.00 13.56 C ATOM 818 CE1 HIS A 100 11.733 21.384 -1.699 1.00 13.26 C ATOM 819 NE2 HIS A 100 11.602 22.208 -2.707 1.00 14.32 N ATOM 820 H HIS A 100 17.866 21.830 -2.873 1.00 0.00 H ATOM 821 N TYR A 101 14.817 19.289 -3.941 1.00 10.13 N ATOM 822 CA TYR A 101 14.453 18.619 -5.201 1.00 10.07 C ATOM 823 C TYR A 101 13.017 18.957 -5.516 1.00 10.48 C ATOM 824 O TYR A 101 12.163 18.987 -4.626 1.00 10.42 O ATOM 825 CB TYR A 101 14.638 17.111 -5.076 1.00 9.69 C ATOM 826 CG TYR A 101 16.121 16.749 -5.058 1.00 9.65 C ATOM 827 CD1 TYR A 101 16.852 16.598 -6.239 1.00 9.86 C ATOM 828 CD2 TYR A 101 16.798 16.641 -3.843 1.00 9.57 C ATOM 829 CE1 TYR A 101 18.218 16.292 -6.188 1.00 10.04 C ATOM 830 CE2 TYR A 101 18.126 16.310 -3.792 1.00 9.74 C ATOM 831 CZ TYR A 101 18.838 16.189 -4.974 1.00 10.00 C ATOM 832 OH TYR A 101 20.189 15.880 -4.982 1.00 10.94 O ATOM 833 HH TYR A 101 20.512 15.839 -5.917 1.00 0.00 H ATOM 834 H TYR A 101 14.376 18.970 -3.055 1.00 0.00 H ATOM 835 N GLU A 102 12.762 19.237 -6.787 1.00 11.49 N ATOM 836 CA GLU A 102 11.418 19.552 -7.266 1.00 12.27 C ATOM 837 C GLU A 102 11.218 19.061 -8.688 1.00 11.81 C ATOM 838 O GLU A 102 12.128 18.580 -9.320 1.00 11.35 O ATOM 839 CB GLU A 102 11.157 21.054 -7.233 1.00 14.41 C ATOM 840 CG GLU A 102 12.076 21.878 -8.112 1.00 17.07 C ATOM 841 CD GLU A 102 11.944 23.371 -7.794 1.00 20.31 C ATOM 842 OE1 GLU A 102 10.952 23.956 -8.252 1.00 23.00 O ATOM 843 OE2 GLU A 102 12.813 23.965 -7.095 1.00 23.09 O ATOM 844 H GLU A 102 13.548 19.232 -7.468 1.00 0.00 H ATOM 845 N GLY A 103 9.984 19.171 -9.132 1.00 11.69 N ATOM 846 CA GLY A 103 9.640 18.876 -10.508 1.00 11.73 C ATOM 847 C GLY A 103 9.370 17.424 -10.823 1.00 11.82 C ATOM 848 O GLY A 103 9.214 17.072 -11.996 1.00 11.81 O ATOM 849 H GLY A 103 9.236 19.478 -8.478 1.00 0.00 H ATOM 850 N GLY A 104 9.349 16.581 -9.803 1.00 11.61 N ATOM 851 CA GLY A 104 9.214 15.136 -9.984 1.00 11.86 C ATOM 852 C GLY A 104 7.832 14.655 -9.608 1.00 12.32 C ATOM 853 O GLY A 104 6.878 15.430 -9.658 1.00 12.11 O ATOM 854 H GLY A 104 9.431 16.960 -8.838 1.00 0.00 H ATOM 855 N SER A 105 7.730 13.374 -9.213 1.00 13.17 N ATOM 856 CA SER A 105 6.427 12.751 -8.953 1.00 14.18 C ATOM 857 C SER A 105 6.484 11.862 -7.721 1.00 15.01 C ATOM 858 O SER A 105 7.440 11.107 -7.566 1.00 15.32 O ATOM 859 CB SER A 105 5.996 11.910 -10.161 1.00 14.80 C ATOM 860 OG SER A 105 6.033 12.662 -11.361 1.00 15.01 O ATOM 861 HG SER A 105 6.955 12.985 -11.518 1.00 0.00 H ATOM 862 H SER A 105 8.595 12.811 -9.089 1.00 0.00 H ATOM 863 N GLN A 106 5.483 12.003 -6.860 1.00 15.41 N ATOM 864 CA GLN A 106 5.287 11.113 -5.703 1.00 16.41 C ATOM 865 C GLN A 106 6.560 10.883 -4.868 1.00 15.83 C ATOM 866 O GLN A 106 7.057 9.761 -4.785 1.00 16.24 O ATOM 867 CB GLN A 106 4.660 9.784 -6.145 1.00 18.07 C ATOM 868 CG GLN A 106 4.001 9.058 -4.975 1.00 20.39 C ATOM 869 CD GLN A 106 3.117 7.880 -5.323 1.00 22.99 C ATOM 870 OE1 GLN A 106 2.837 7.574 -6.475 1.00 26.76 O ATOM 871 NE2 GLN A 106 2.635 7.226 -4.287 1.00 24.94 N ATOM 872 HE22 GLN A 106 2.895 7.515 -3.323 1.00 0.00 H ATOM 873 HE21 GLN A 106 1.994 6.420 -4.433 1.00 0.00 H ATOM 874 H GLN A 106 4.806 12.778 -7.010 1.00 0.00 H ATOM 875 N PRO A 107 7.098 11.925 -4.224 1.00 14.62 N ATOM 876 CA PRO A 107 6.523 13.261 -4.138 1.00 14.08 C ATOM 877 C PRO A 107 7.008 14.197 -5.237 1.00 13.27 C ATOM 878 O PRO A 107 7.997 13.922 -5.896 1.00 12.32 O ATOM 879 CB PRO A 107 7.022 13.737 -2.783 1.00 14.45 C ATOM 880 CG PRO A 107 8.357 13.116 -2.680 1.00 14.23 C ATOM 881 CD PRO A 107 8.240 11.778 -3.302 1.00 14.52 C ATOM 882 N GLN A 108 6.327 15.313 -5.396 1.00 12.68 N ATOM 883 CA GLN A 108 6.804 16.342 -6.315 1.00 12.51 C ATOM 884 C GLN A 108 8.114 16.959 -5.860 1.00 11.85 C ATOM 885 O GLN A 108 8.926 17.315 -6.682 1.00 11.05 O ATOM 886 CB GLN A 108 5.770 17.433 -6.543 1.00 13.18 C ATOM 887 CG GLN A 108 4.528 16.964 -7.266 1.00 14.12 C ATOM 888 CD GLN A 108 3.521 18.069 -7.447 1.00 15.38 C ATOM 889 OE1 GLN A 108 3.188 18.761 -6.516 1.00 17.49 O ATOM 890 NE2 GLN A 108 3.014 18.221 -8.663 1.00 16.42 N ATOM 891 HE22 GLN A 108 3.328 17.603 -9.438 1.00 0.00 H ATOM 892 HE21 GLN A 108 2.302 18.958 -8.841 1.00 0.00 H ATOM 893 H GLN A 108 5.446 15.462 -4.865 1.00 0.00 H ATOM 894 N THR A 109 8.259 17.089 -4.545 1.00 11.77 N ATOM 895 CA THR A 109 9.384 17.748 -3.912 1.00 11.77 C ATOM 896 C THR A 109 9.871 17.022 -2.665 1.00 11.14 C ATOM 897 O THR A 109 9.114 16.325 -2.010 1.00 11.63 O ATOM 898 CB THR A 109 9.061 19.202 -3.503 1.00 12.85 C ATOM 899 OG1 THR A 109 8.159 19.197 -2.383 1.00 13.87 O ATOM 900 CG2 THR A 109 8.473 20.001 -4.635 1.00 13.28 C ATOM 901 HG1 THR A 109 8.582 18.726 -1.622 1.00 0.00 H ATOM 902 H THR A 109 7.518 16.693 -3.932 1.00 0.00 H ATOM 903 N PHE A 110 11.157 17.205 -2.365 1.00 10.42 N ATOM 904 CA PHE A 110 11.733 16.727 -1.097 1.00 10.23 C ATOM 905 C PHE A 110 13.100 17.400 -0.904 1.00 9.82 C ATOM 906 O PHE A 110 13.593 18.114 -1.796 1.00 9.59 O ATOM 907 CB PHE A 110 11.849 15.189 -1.077 1.00 10.55 C ATOM 908 CG PHE A 110 12.856 14.625 -2.005 1.00 10.69 C ATOM 909 CD1 PHE A 110 12.547 14.397 -3.352 1.00 10.73 C ATOM 910 CD2 PHE A 110 14.136 14.321 -1.595 1.00 10.82 C ATOM 911 CE1 PHE A 110 13.491 13.899 -4.245 1.00 11.05 C ATOM 912 CE2 PHE A 110 15.075 13.837 -2.508 1.00 10.98 C ATOM 913 CZ PHE A 110 14.738 13.627 -3.811 1.00 11.10 C ATOM 914 H PHE A 110 11.770 17.699 -3.045 1.00 0.00 H ATOM 915 N PHE A 111 13.703 17.156 0.261 1.00 9.71 N ATOM 916 CA PHE A 111 15.044 17.663 0.567 1.00 9.68 C ATOM 917 C PHE A 111 16.007 16.509 0.703 1.00 9.52 C ATOM 918 O PHE A 111 15.688 15.500 1.306 1.00 9.95 O ATOM 919 CB PHE A 111 15.043 18.425 1.867 1.00 10.03 C ATOM 920 CG PHE A 111 14.273 19.708 1.832 1.00 10.55 C ATOM 921 CD1 PHE A 111 12.909 19.704 2.070 1.00 10.95 C ATOM 922 CD2 PHE A 111 14.899 20.925 1.556 1.00 11.04 C ATOM 923 CE1 PHE A 111 12.187 20.878 2.085 1.00 11.31 C ATOM 924 CE2 PHE A 111 14.172 22.100 1.544 1.00 11.58 C ATOM 925 CZ PHE A 111 12.835 22.084 1.826 1.00 11.39 C ATOM 926 H PHE A 111 13.205 16.587 0.975 1.00 0.00 H ATOM 927 N GLY A 112 17.212 16.674 0.147 1.00 9.22 N ATOM 928 CA GLY A 112 18.315 15.742 0.394 1.00 9.38 C ATOM 929 C GLY A 112 19.376 16.475 1.170 1.00 9.52 C ATOM 930 O GLY A 112 20.007 17.382 0.632 1.00 9.79 O ATOM 931 H GLY A 112 17.371 17.489 -0.480 1.00 0.00 H ATOM 932 N LEU A 113 19.542 16.103 2.436 1.00 9.55 N ATOM 933 CA LEU A 113 20.445 16.821 3.322 1.00 9.92 C ATOM 934 C LEU A 113 21.647 15.948 3.655 1.00 10.46 C ATOM 935 O LEU A 113 21.539 14.730 3.771 1.00 11.17 O ATOM 936 CB LEU A 113 19.740 17.244 4.597 1.00 9.98 C ATOM 937 CG LEU A 113 18.509 18.138 4.382 1.00 10.12 C ATOM 938 CD1 LEU A 113 17.900 18.535 5.721 1.00 10.26 C ATOM 939 CD2 LEU A 113 18.831 19.390 3.566 1.00 10.14 C ATOM 940 H LEU A 113 19.016 15.283 2.800 1.00 0.00 H ATOM 941 N ILE A 114 22.788 16.593 3.840 1.00 10.56 N ATOM 942 CA ILE A 114 24.052 15.901 4.083 1.00 11.08 C ATOM 943 C ILE A 114 24.130 15.557 5.579 1.00 11.34 C ATOM 944 O ILE A 114 24.224 16.441 6.439 1.00 11.16 O ATOM 945 CB ILE A 114 25.236 16.780 3.678 1.00 11.28 C ATOM 946 CG1 ILE A 114 25.165 17.120 2.189 1.00 11.53 C ATOM 947 CG2 ILE A 114 26.544 16.038 3.934 1.00 11.46 C ATOM 948 CD1 ILE A 114 25.991 18.301 1.760 1.00 11.88 C ATOM 949 H ILE A 114 22.785 17.633 3.811 1.00 0.00 H ATOM 950 N LYS A 115 24.093 14.276 5.890 1.00 12.28 N ATOM 951 CA LYS A 115 23.907 13.799 7.261 1.00 13.37 C ATOM 952 C LYS A 115 24.942 14.370 8.231 1.00 13.13 C ATOM 953 O LYS A 115 24.618 14.825 9.336 1.00 13.41 O ATOM 954 CB LYS A 115 23.923 12.273 7.310 1.00 14.81 C ATOM 955 CG LYS A 115 23.644 11.695 8.674 1.00 16.31 C ATOM 956 CD LYS A 115 24.753 10.980 9.389 1.00 18.03 C ATOM 957 CE LYS A 115 24.203 9.891 10.337 1.00 18.92 C ATOM 958 NZ LYS A 115 25.160 9.666 11.483 1.00 18.23 N ATOM 959 HZ1 LYS A 115 26.081 9.359 11.109 1.00 0.00 H ATOM 960 HZ2 LYS A 115 25.278 10.553 12.014 1.00 0.00 H ATOM 961 HZ3 LYS A 115 24.778 8.932 12.113 1.00 0.00 H ATOM 962 H LYS A 115 24.201 13.575 5.129 1.00 0.00 H ATOM 963 N ASP A 116 26.209 14.345 7.816 1.00 13.00 N ATOM 964 CA ASP A 116 27.307 14.766 8.690 1.00 13.24 C ATOM 965 C ASP A 116 27.410 16.276 8.853 1.00 12.70 C ATOM 966 O ASP A 116 28.243 16.741 9.637 1.00 13.06 O ATOM 967 CB ASP A 116 28.686 14.175 8.263 1.00 14.10 C ATOM 968 CG ASP A 116 28.993 14.402 6.814 1.00 15.11 C ATOM 969 OD1 ASP A 116 28.199 13.867 6.033 1.00 16.65 O ATOM 970 OD2 ASP A 116 30.011 15.005 6.434 1.00 15.95 O ATOM 971 H ASP A 116 26.422 14.020 6.851 1.00 0.00 H ATOM 972 N ARG A 117 26.558 17.049 8.164 1.00 12.03 N ATOM 973 CA ARG A 117 26.472 18.496 8.333 1.00 12.08 C ATOM 974 C ARG A 117 25.336 18.921 9.240 1.00 11.29 C ATOM 975 O ARG A 117 25.090 20.140 9.452 1.00 10.94 O ATOM 976 CB ARG A 117 26.391 19.177 6.967 1.00 12.96 C ATOM 977 CG ARG A 117 27.616 18.833 6.117 1.00 14.10 C ATOM 978 CD ARG A 117 27.797 19.640 4.889 1.00 14.93 C ATOM 979 NE ARG A 117 28.889 19.171 4.059 1.00 15.53 N ATOM 980 CZ ARG A 117 29.241 19.716 2.896 1.00 16.19 C ATOM 981 NH1 ARG A 117 28.600 20.777 2.413 1.00 16.21 N ATOM 982 NH2 ARG A 117 30.263 19.196 2.200 1.00 17.38 N ATOM 983 HE ARG A 117 29.435 18.352 4.395 1.00 0.00 H ATOM 984 HH12 ARG A 117 28.889 21.189 1.503 1.00 0.00 H ATOM 985 HH11 ARG A 117 27.810 21.194 2.945 1.00 0.00 H ATOM 986 HH22 ARG A 117 30.541 19.618 1.291 1.00 0.00 H ATOM 987 HH21 ARG A 117 30.777 18.371 2.569 1.00 0.00 H ATOM 988 H ARG A 117 25.926 16.594 7.474 1.00 0.00 H ATOM 989 N LEU A 118 24.632 17.938 9.806 1.00 10.93 N ATOM 990 CA LEU A 118 23.539 18.179 10.767 1.00 11.04 C ATOM 991 C LEU A 118 23.927 17.615 12.125 1.00 11.12 C ATOM 992 O LEU A 118 24.723 16.668 12.211 1.00 11.73 O ATOM 993 CB LEU A 118 22.280 17.489 10.283 1.00 11.13 C ATOM 994 CG LEU A 118 21.785 17.880 8.875 1.00 11.39 C ATOM 995 CD1 LEU A 118 20.675 16.964 8.456 1.00 11.83 C ATOM 996 CD2 LEU A 118 21.317 19.321 8.910 1.00 11.62 C ATOM 997 H LEU A 118 24.865 16.955 9.558 1.00 0.00 H ATOM 998 N ALA A 119 23.348 18.173 13.180 1.00 11.07 N ATOM 999 CA ALA A 119 23.464 17.615 14.534 1.00 11.23 C ATOM 1000 C ALA A 119 22.077 17.200 14.997 1.00 11.59 C ATOM 1001 O ALA A 119 21.128 17.961 14.859 1.00 11.56 O ATOM 1002 CB ALA A 119 24.035 18.650 15.468 1.00 11.27 C ATOM 1003 H ALA A 119 22.790 19.040 13.043 1.00 0.00 H ATOM 1004 N GLU A 120 21.955 15.989 15.513 1.00 12.44 N ATOM 1005 CA GLU A 120 20.684 15.438 15.936 1.00 13.87 C ATOM 1006 C GLU A 120 20.530 15.557 17.448 1.00 14.13 C ATOM 1007 O GLU A 120 21.461 15.327 18.171 1.00 13.46 O ATOM 1008 CB GLU A 120 20.567 13.974 15.493 1.00 15.60 C ATOM 1009 CG GLU A 120 19.154 13.429 15.592 1.00 17.47 C ATOM 1010 CD GLU A 120 18.993 12.054 14.966 1.00 19.61 C ATOM 1011 OE1 GLU A 120 19.986 11.503 14.436 1.00 21.97 O ATOM 1012 OE2 GLU A 120 17.848 11.549 14.981 1.00 22.53 O ATOM 1013 H GLU A 120 22.810 15.406 15.620 1.00 0.00 H ATOM 1014 N GLY A 121 19.330 15.865 17.913 1.00 14.31 N ATOM 1015 CA GLY A 121 19.159 16.120 19.345 1.00 15.34 C ATOM 1016 C GLY A 121 17.715 16.238 19.730 1.00 16.21 C ATOM 1017 O GLY A 121 16.816 16.021 18.924 1.00 15.60 O ATOM 1018 H GLY A 121 18.516 15.925 17.268 1.00 0.00 H ATOM 1019 N PRO A 122 17.499 16.557 21.019 1.00 17.70 N ATOM 1020 CA PRO A 122 16.148 16.570 21.540 1.00 19.28 C ATOM 1021 C PRO A 122 15.286 17.678 20.979 1.00 20.61 C ATOM 1022 O PRO A 122 15.778 18.699 20.540 1.00 21.59 O ATOM 1023 CB PRO A 122 16.368 16.755 23.051 1.00 19.67 C ATOM 1024 CG PRO A 122 17.706 17.317 23.202 1.00 18.99 C ATOM 1025 CD PRO A 122 18.508 16.916 22.033 1.00 18.20 C ATOM 1026 N ALA A 123 13.989 17.450 21.009 1.00 22.79 N ATOM 1027 CA ALA A 123 13.011 18.412 20.540 1.00 24.76 C ATOM 1028 C ALA A 123 12.987 19.745 21.320 1.00 26.55 C ATOM 1029 O ALA A 123 13.527 19.906 22.395 1.00 29.82 O ATOM 1030 CB ALA A 123 11.628 17.783 20.586 1.00 26.44 C ATOM 1031 H ALA A 123 13.652 16.541 21.385 1.00 0.00 H TER 1032 ALA A 123 ATOM 1033 N VAL B 14 43.666 -11.300 11.800 1.00 52.50 N ATOM 1034 CA VAL B 14 43.720 -12.797 11.926 1.00 51.82 C ATOM 1035 C VAL B 14 44.351 -13.247 13.252 1.00 50.48 C ATOM 1036 O VAL B 14 43.696 -13.940 14.024 1.00 50.35 O ATOM 1037 CB VAL B 14 44.336 -13.531 10.676 1.00 52.86 C ATOM 1038 CG1 VAL B 14 45.538 -12.818 10.073 1.00 53.10 C ATOM 1039 CG2 VAL B 14 44.708 -14.990 10.960 1.00 54.37 C ATOM 1040 HN3 VAL B 14 44.631 -10.914 11.846 1.00 0.00 H ATOM 1041 HN2 VAL B 14 43.097 -10.908 12.578 1.00 0.00 H ATOM 1042 HN1 VAL B 14 43.233 -11.045 10.890 1.00 0.00 H ATOM 1043 N LEU B 15 45.613 -12.886 13.491 1.00 50.05 N ATOM 1044 CA LEU B 15 46.339 -13.381 14.667 1.00 49.18 C ATOM 1045 C LEU B 15 46.248 -12.463 15.876 1.00 47.22 C ATOM 1046 O LEU B 15 46.565 -12.889 16.998 1.00 45.92 O ATOM 1047 CB LEU B 15 47.811 -13.665 14.324 1.00 50.92 C ATOM 1048 CG LEU B 15 48.040 -14.815 13.318 1.00 52.42 C ATOM 1049 CD1 LEU B 15 49.520 -15.165 13.232 1.00 52.91 C ATOM 1050 CD2 LEU B 15 47.235 -16.077 13.637 1.00 53.34 C ATOM 1051 H LEU B 15 46.092 -12.241 12.831 1.00 0.00 H ATOM 1052 N ALA B 16 45.851 -11.210 15.674 1.00 46.06 N ATOM 1053 CA ALA B 16 45.907 -10.208 16.744 1.00 45.18 C ATOM 1054 C ALA B 16 44.892 -9.089 16.527 1.00 44.18 C ATOM 1055 O ALA B 16 44.258 -9.022 15.467 1.00 43.22 O ATOM 1056 CB ALA B 16 47.327 -9.664 16.829 1.00 44.96 C ATOM 1057 H ALA B 16 45.493 -10.934 14.737 1.00 0.00 H ATOM 1058 N PRO B 17 44.726 -8.195 17.530 1.00 43.04 N ATOM 1059 CA PRO B 17 43.849 -7.048 17.311 1.00 42.47 C ATOM 1060 C PRO B 17 44.371 -6.163 16.180 1.00 42.45 C ATOM 1061 O PRO B 17 45.590 -6.087 15.968 1.00 41.54 O ATOM 1062 CB PRO B 17 43.920 -6.291 18.644 1.00 42.73 C ATOM 1063 CG PRO B 17 44.305 -7.316 19.647 1.00 42.69 C ATOM 1064 CD PRO B 17 45.260 -8.204 18.908 1.00 43.63 C ATOM 1065 N GLY B 18 43.452 -5.537 15.448 1.00 42.12 N ATOM 1066 CA GLY B 18 43.783 -4.499 14.464 1.00 42.10 C ATOM 1067 C GLY B 18 44.868 -3.569 14.989 1.00 41.11 C ATOM 1068 O GLY B 18 44.960 -3.335 16.208 1.00 42.78 O ATOM 1069 H GLY B 18 42.453 -5.795 15.579 1.00 0.00 H ATOM 1070 N ALA B 19 45.693 -3.037 14.089 1.00 39.42 N ATOM 1071 CA ALA B 19 46.859 -2.270 14.506 1.00 37.17 C ATOM 1072 C ALA B 19 46.562 -0.923 15.100 1.00 34.56 C ATOM 1073 O ALA B 19 47.516 -0.404 15.631 1.00 36.40 O ATOM 1074 CB ALA B 19 47.889 -2.153 13.391 1.00 37.73 C ATOM 1075 H ALA B 19 45.502 -3.171 13.075 1.00 0.00 H ATOM 1076 N SER B 20 45.309 -0.417 15.088 1.00 30.74 N ATOM 1077 CA SER B 20 45.066 0.864 15.673 1.00 27.05 C ATOM 1078 C SER B 20 44.198 0.930 16.933 1.00 23.69 C ATOM 1079 O SER B 20 43.094 0.300 17.069 1.00 24.17 O ATOM 1080 CB SER B 20 44.609 1.941 14.692 1.00 27.08 C ATOM 1081 OG SER B 20 43.251 1.909 14.455 1.00 28.25 O ATOM 1082 HG SER B 20 43.012 2.625 13.815 1.00 0.00 H ATOM 1083 H SER B 20 44.530 -0.954 14.657 1.00 0.00 H ATOM 1084 N ILE B 21 44.661 1.817 17.810 1.00 20.72 N ATOM 1085 CA ILE B 21 43.970 2.072 19.065 1.00 18.45 C ATOM 1086 C ILE B 21 43.661 3.562 19.203 1.00 16.00 C ATOM 1087 O ILE B 21 44.305 4.414 18.574 1.00 15.92 O ATOM 1088 CB ILE B 21 44.746 1.553 20.260 1.00 20.02 C ATOM 1089 CG1 ILE B 21 46.058 2.308 20.419 1.00 21.03 C ATOM 1090 CG2 ILE B 21 44.875 0.023 20.171 1.00 20.53 C ATOM 1091 CD1 ILE B 21 46.910 1.889 21.579 1.00 22.19 C ATOM 1092 H ILE B 21 45.534 2.339 17.594 1.00 0.00 H ATOM 1093 N PHE B 22 42.716 3.872 20.067 1.00 13.48 N ATOM 1094 CA PHE B 22 42.381 5.232 20.426 1.00 12.67 C ATOM 1095 C PHE B 22 42.817 5.493 21.855 1.00 12.87 C ATOM 1096 O PHE B 22 42.414 4.781 22.755 1.00 12.18 O ATOM 1097 CB PHE B 22 40.881 5.451 20.286 1.00 11.91 C ATOM 1098 CG PHE B 22 40.420 5.438 18.858 1.00 11.89 C ATOM 1099 CD1 PHE B 22 40.117 4.255 18.251 1.00 12.02 C ATOM 1100 CD2 PHE B 22 40.294 6.616 18.127 1.00 12.15 C ATOM 1101 CE1 PHE B 22 39.683 4.191 16.934 1.00 12.43 C ATOM 1102 CE2 PHE B 22 39.866 6.584 16.796 1.00 12.22 C ATOM 1103 CZ PHE B 22 39.554 5.366 16.218 1.00 12.28 C ATOM 1104 H PHE B 22 42.183 3.099 20.514 1.00 0.00 H ATOM 1105 N ARG B 23 43.643 6.510 22.031 1.00 13.35 N ATOM 1106 CA ARG B 23 44.144 6.908 23.325 1.00 14.25 C ATOM 1107 C ARG B 23 43.522 8.223 23.729 1.00 14.15 C ATOM 1108 O ARG B 23 43.098 9.019 22.894 1.00 13.84 O ATOM 1109 CB ARG B 23 45.648 7.048 23.245 1.00 15.70 C ATOM 1110 CG ARG B 23 46.395 5.785 22.939 1.00 16.82 C ATOM 1111 CD ARG B 23 47.922 6.070 22.895 1.00 18.66 C ATOM 1112 NE ARG B 23 48.644 4.820 22.770 1.00 20.56 N ATOM 1113 CZ ARG B 23 48.919 3.982 23.770 1.00 22.80 C ATOM 1114 NH1 ARG B 23 49.593 2.862 23.481 1.00 25.07 N ATOM 1115 NH2 ARG B 23 48.597 4.212 25.077 1.00 23.52 N ATOM 1116 HE ARG B 23 48.976 4.554 21.821 1.00 0.00 H ATOM 1117 HH12 ARG B 23 49.825 2.185 24.236 1.00 0.00 H ATOM 1118 HH11 ARG B 23 49.885 2.669 22.502 1.00 0.00 H ATOM 1119 HH22 ARG B 23 48.844 3.511 25.805 1.00 0.00 H ATOM 1120 HH21 ARG B 23 48.105 5.088 25.345 1.00 0.00 H ATOM 1121 H ARG B 23 43.947 7.050 21.196 1.00 0.00 H ATOM 1122 N CYS B 24 43.481 8.476 25.038 1.00 14.59 N ATOM 1123 CA CYS B 24 43.072 9.789 25.527 1.00 15.21 C ATOM 1124 C CYS B 24 44.051 10.822 24.986 1.00 16.83 C ATOM 1125 O CYS B 24 45.282 10.661 25.129 1.00 16.50 O ATOM 1126 CB CYS B 24 43.138 9.767 27.039 1.00 15.57 C ATOM 1127 SG CYS B 24 42.846 11.350 27.787 1.00 15.50 S ATOM 1128 H CYS B 24 43.743 7.732 25.716 1.00 0.00 H ATOM 1129 N ARG B 25 43.513 11.855 24.335 1.00 17.85 N ATOM 1130 CA ARG B 25 44.352 12.889 23.732 1.00 20.13 C ATOM 1131 C ARG B 25 45.161 13.674 24.771 1.00 21.11 C ATOM 1132 O ARG B 25 46.261 14.164 24.465 1.00 21.72 O ATOM 1133 CB ARG B 25 43.463 13.821 22.935 1.00 21.61 C ATOM 1134 CG ARG B 25 44.185 14.989 22.304 1.00 24.08 C ATOM 1135 CD ARG B 25 43.230 15.613 21.278 1.00 25.33 C ATOM 1136 NE ARG B 25 43.098 14.741 20.121 1.00 27.57 N ATOM 1137 CZ ARG B 25 43.861 14.785 19.026 1.00 28.70 C ATOM 1138 NH1 ARG B 25 44.820 15.692 18.896 1.00 31.37 N ATOM 1139 NH2 ARG B 25 43.641 13.932 18.046 1.00 28.34 N ATOM 1140 HE ARG B 25 42.346 14.023 20.149 1.00 0.00 H ATOM 1141 HH12 ARG B 25 45.404 15.711 18.036 1.00 0.00 H ATOM 1142 HH11 ARG B 25 44.987 16.384 19.654 1.00 0.00 H ATOM 1143 HH22 ARG B 25 44.231 13.960 17.190 1.00 0.00 H ATOM 1144 HH21 ARG B 25 42.877 13.231 18.129 1.00 0.00 H ATOM 1145 H ARG B 25 42.478 11.926 24.255 1.00 0.00 H ATOM 1146 N GLN B 26 44.625 13.778 25.985 1.00 21.07 N ATOM 1147 CA GLN B 26 45.261 14.564 27.048 1.00 22.66 C ATOM 1148 C GLN B 26 46.365 13.847 27.783 1.00 22.48 C ATOM 1149 O GLN B 26 47.377 14.484 28.127 1.00 24.44 O ATOM 1150 CB GLN B 26 44.184 15.089 28.007 1.00 24.42 C ATOM 1151 CG GLN B 26 44.645 15.767 29.292 1.00 27.23 C ATOM 1152 CD GLN B 26 43.489 16.444 30.009 1.00 29.07 C ATOM 1153 OE1 GLN B 26 42.688 17.139 29.391 1.00 33.40 O ATOM 1154 NE2 GLN B 26 43.406 16.264 31.312 1.00 31.73 N ATOM 1155 HE22 GLN B 26 44.104 15.667 31.800 1.00 0.00 H ATOM 1156 HE21 GLN B 26 42.642 16.718 31.852 1.00 0.00 H ATOM 1157 H GLN B 26 43.730 13.288 26.186 1.00 0.00 H ATOM 1158 N CYS B 27 46.251 12.542 28.024 1.00 20.13 N ATOM 1159 CA CYS B 27 47.296 11.815 28.785 1.00 19.50 C ATOM 1160 C CYS B 27 47.846 10.542 28.163 1.00 19.08 C ATOM 1161 O CYS B 27 48.825 9.971 28.669 1.00 19.50 O ATOM 1162 CB CYS B 27 46.796 11.484 30.166 1.00 19.07 C ATOM 1163 SG CYS B 27 45.637 10.012 30.244 1.00 17.61 S ATOM 1164 H CYS B 27 45.418 12.026 27.674 1.00 0.00 H ATOM 1165 N GLY B 28 47.240 10.061 27.087 1.00 17.70 N ATOM 1166 CA GLY B 28 47.774 8.899 26.399 1.00 17.79 C ATOM 1167 C GLY B 28 47.237 7.548 26.797 1.00 17.12 C ATOM 1168 O GLY B 28 47.579 6.547 26.160 1.00 16.63 O ATOM 1169 H GLY B 28 46.376 10.519 26.733 1.00 0.00 H ATOM 1170 N GLN B 29 46.372 7.508 27.809 1.00 17.48 N ATOM 1171 CA GLN B 29 45.866 6.218 28.303 1.00 18.15 C ATOM 1172 C GLN B 29 45.123 5.549 27.136 1.00 16.81 C ATOM 1173 O GLN B 29 44.351 6.212 26.462 1.00 15.10 O ATOM 1174 CB GLN B 29 44.900 6.370 29.450 1.00 19.50 C ATOM 1175 CG GLN B 29 44.549 4.997 30.011 1.00 21.22 C ATOM 1176 CD GLN B 29 43.896 5.070 31.310 1.00 22.78 C ATOM 1177 OE1 GLN B 29 44.296 4.410 32.248 1.00 26.17 O ATOM 1178 NE2 GLN B 29 42.773 5.757 31.344 1.00 23.38 N ATOM 1179 HE22 GLN B 29 42.474 6.307 30.513 1.00 0.00 H ATOM 1180 HE21 GLN B 29 42.185 5.750 32.202 1.00 0.00 H ATOM 1181 H GLN B 29 46.053 8.393 28.252 1.00 0.00 H ATOM 1182 N THR B 30 45.331 4.258 26.892 1.00 16.10 N ATOM 1183 CA THR B 30 44.517 3.505 25.991 1.00 15.47 C ATOM 1184 C THR B 30 43.052 3.482 26.448 1.00 14.14 C ATOM 1185 O THR B 30 42.747 3.165 27.583 1.00 14.47 O ATOM 1186 CB THR B 30 45.039 2.081 25.812 1.00 16.55 C ATOM 1187 OG1 THR B 30 46.348 2.182 25.244 1.00 18.31 O ATOM 1188 CG2 THR B 30 44.183 1.236 24.871 1.00 16.63 C ATOM 1189 HG1 THR B 30 46.720 1.274 25.113 1.00 0.00 H ATOM 1190 H THR B 30 46.117 3.778 27.376 1.00 0.00 H ATOM 1191 N ILE B 31 42.167 3.846 25.516 1.00 12.62 N ATOM 1192 CA ILE B 31 40.724 3.886 25.780 1.00 12.14 C ATOM 1193 C ILE B 31 39.921 2.882 24.956 1.00 11.76 C ATOM 1194 O ILE B 31 39.075 2.173 25.490 1.00 11.67 O ATOM 1195 CB ILE B 31 40.162 5.296 25.552 1.00 11.77 C ATOM 1196 CG1 ILE B 31 40.879 6.327 26.408 1.00 12.17 C ATOM 1197 CG2 ILE B 31 38.627 5.330 25.785 1.00 11.40 C ATOM 1198 CD1 ILE B 31 40.722 6.185 27.887 1.00 12.42 C ATOM 1199 H ILE B 31 42.512 4.110 24.571 1.00 0.00 H ATOM 1200 N SER B 32 40.112 2.851 23.635 1.00 11.33 N ATOM 1201 CA SER B 32 39.370 1.902 22.803 1.00 11.80 C ATOM 1202 C SER B 32 40.144 1.545 21.554 1.00 12.44 C ATOM 1203 O SER B 32 41.340 1.828 21.459 1.00 12.08 O ATOM 1204 CB SER B 32 37.976 2.443 22.515 1.00 11.44 C ATOM 1205 OG SER B 32 37.122 1.421 22.036 1.00 11.81 O ATOM 1206 HG SER B 32 37.050 0.706 22.717 1.00 0.00 H ATOM 1207 H SER B 32 40.791 3.504 23.195 1.00 0.00 H ATOM 1208 N ARG B 33 39.504 0.826 20.652 1.00 13.83 N ATOM 1209 CA ARG B 33 40.216 0.159 19.544 1.00 15.66 C ATOM 1210 C ARG B 33 39.369 0.302 18.302 1.00 15.12 C ATOM 1211 O ARG B 33 38.119 0.229 18.386 1.00 13.51 O ATOM 1212 CB ARG B 33 40.395 -1.345 19.861 1.00 18.08 C ATOM 1213 CG ARG B 33 40.924 -1.692 21.239 1.00 21.01 C ATOM 1214 CD ARG B 33 41.330 -3.151 21.325 1.00 23.23 C ATOM 1215 NE ARG B 33 42.605 -3.405 20.646 1.00 27.26 N ATOM 1216 CZ ARG B 33 43.821 -3.188 21.165 1.00 29.66 C ATOM 1217 NH1 ARG B 33 43.978 -2.633 22.368 1.00 32.28 N ATOM 1218 NH2 ARG B 33 44.893 -3.504 20.463 1.00 31.79 N ATOM 1219 HE ARG B 33 42.561 -3.786 19.679 1.00 0.00 H ATOM 1220 HH12 ARG B 33 44.933 -2.476 22.747 1.00 0.00 H ATOM 1221 HH11 ARG B 33 43.145 -2.358 22.926 1.00 0.00 H ATOM 1222 HH22 ARG B 33 45.841 -3.339 20.858 1.00 0.00 H ATOM 1223 HH21 ARG B 33 44.790 -3.918 19.515 1.00 0.00 H ATOM 1224 H ARG B 33 38.471 0.726 20.723 1.00 0.00 H ATOM 1225 N ARG B 34 40.003 0.473 17.146 1.00 15.35 N ATOM 1226 CA ARG B 34 39.278 0.481 15.905 1.00 15.75 C ATOM 1227 C ARG B 34 38.422 -0.780 15.667 1.00 14.90 C ATOM 1228 O ARG B 34 37.304 -0.683 15.121 1.00 14.03 O ATOM 1229 CB ARG B 34 40.215 0.752 14.724 1.00 17.58 C ATOM 1230 CG ARG B 34 39.527 0.720 13.370 1.00 19.23 C ATOM 1231 CD ARG B 34 40.353 1.391 12.272 1.00 20.59 C ATOM 1232 NE ARG B 34 40.292 2.829 12.435 1.00 22.28 N ATOM 1233 CZ ARG B 34 39.353 3.652 11.938 1.00 22.60 C ATOM 1234 NH1 ARG B 34 39.413 4.932 12.224 1.00 22.89 N ATOM 1235 NH2 ARG B 34 38.355 3.213 11.164 1.00 24.34 N ATOM 1236 HE ARG B 34 41.051 3.269 12.993 1.00 0.00 H ATOM 1237 HH12 ARG B 34 38.695 5.583 11.848 1.00 0.00 H ATOM 1238 HH11 ARG B 34 40.179 5.295 12.827 1.00 0.00 H ATOM 1239 HH22 ARG B 34 37.647 3.882 10.799 1.00 0.00 H ATOM 1240 HH21 ARG B 34 38.286 2.203 10.927 1.00 0.00 H ATOM 1241 H ARG B 34 41.035 0.602 17.140 1.00 0.00 H ATOM 1242 N ASP B 35 38.930 -1.921 16.122 1.00 14.66 N ATOM 1243 CA ASP B 35 38.196 -3.190 16.023 1.00 15.33 C ATOM 1244 C ASP B 35 36.830 -3.114 16.710 1.00 13.97 C ATOM 1245 O ASP B 35 35.942 -3.888 16.368 1.00 13.88 O ATOM 1246 CB ASP B 35 38.951 -4.357 16.693 1.00 16.96 C ATOM 1247 CG ASP B 35 40.188 -4.791 15.968 1.00 19.26 C ATOM 1248 OD1 ASP B 35 40.364 -4.450 14.787 1.00 21.44 O ATOM 1249 OD2 ASP B 35 40.989 -5.490 16.625 1.00 22.09 O ATOM 1250 H ASP B 35 39.873 -1.915 16.560 1.00 0.00 H ATOM 1251 N TRP B 36 36.677 -2.203 17.673 1.00 12.70 N ATOM 1252 CA TRP B 36 35.463 -2.099 18.468 1.00 12.27 C ATOM 1253 C TRP B 36 34.512 -1.042 17.979 1.00 12.30 C ATOM 1254 O TRP B 36 33.472 -0.859 18.586 1.00 12.08 O ATOM 1255 CB TRP B 36 35.844 -1.837 19.933 1.00 11.55 C ATOM 1256 CG TRP B 36 36.623 -2.930 20.587 1.00 11.66 C ATOM 1257 CD1 TRP B 36 36.710 -4.218 20.177 1.00 12.08 C ATOM 1258 CD2 TRP B 36 37.332 -2.850 21.833 1.00 11.53 C ATOM 1259 NE1 TRP B 36 37.471 -4.939 21.056 1.00 12.32 N ATOM 1260 CE2 TRP B 36 37.906 -4.118 22.065 1.00 12.07 C ATOM 1261 CE3 TRP B 36 37.619 -1.815 22.722 1.00 11.29 C ATOM 1262 CZ2 TRP B 36 38.677 -4.385 23.183 1.00 12.43 C ATOM 1263 CZ3 TRP B 36 38.372 -2.099 23.861 1.00 11.74 C ATOM 1264 CH2 TRP B 36 38.906 -3.363 24.049 1.00 12.06 C ATOM 1265 HE1 TRP B 36 37.686 -5.953 20.972 1.00 0.00 H ATOM 1266 H TRP B 36 37.456 -1.541 17.863 1.00 0.00 H ATOM 1267 N LEU B 37 34.795 -0.388 16.837 1.00 12.73 N ATOM 1268 CA LEU B 37 33.851 0.543 16.278 1.00 13.20 C ATOM 1269 C LEU B 37 32.508 -0.129 16.009 1.00 14.02 C ATOM 1270 O LEU B 37 32.462 -1.314 15.569 1.00 14.87 O ATOM 1271 CB LEU B 37 34.388 1.172 15.008 1.00 13.84 C ATOM 1272 CG LEU B 37 35.373 2.299 15.233 1.00 14.00 C ATOM 1273 CD1 LEU B 37 36.036 2.603 13.885 1.00 14.56 C ATOM 1274 CD2 LEU B 37 34.696 3.549 15.812 1.00 14.13 C ATOM 1275 H LEU B 37 35.701 -0.557 16.356 1.00 0.00 H ATOM 1276 N LEU B 38 31.438 0.593 16.288 1.00 14.33 N ATOM 1277 CA LEU B 38 30.094 -0.001 16.358 1.00 15.53 C ATOM 1278 C LEU B 38 29.162 0.897 15.542 1.00 16.40 C ATOM 1279 O LEU B 38 28.870 2.018 15.955 1.00 15.68 O ATOM 1280 CB LEU B 38 29.619 -0.059 17.836 1.00 15.85 C ATOM 1281 CG LEU B 38 28.204 -0.581 18.030 1.00 16.64 C ATOM 1282 CD1 LEU B 38 28.019 -1.998 17.525 1.00 17.84 C ATOM 1283 CD2 LEU B 38 27.825 -0.501 19.498 1.00 16.94 C ATOM 1284 H LEU B 38 31.549 1.612 16.463 1.00 0.00 H ATOM 1285 N PRO B 39 28.649 0.411 14.399 1.00 18.31 N ATOM 1286 CA PRO B 39 27.748 1.254 13.585 1.00 19.31 C ATOM 1287 C PRO B 39 26.300 1.283 14.106 1.00 20.84 C ATOM 1288 O PRO B 39 25.388 0.697 13.502 1.00 24.50 O ATOM 1289 CB PRO B 39 27.842 0.617 12.194 1.00 19.91 C ATOM 1290 CG PRO B 39 28.053 -0.808 12.503 1.00 20.09 C ATOM 1291 CD PRO B 39 28.958 -0.862 13.721 1.00 19.35 C ATOM 1292 N MET B 40 26.072 2.078 15.147 1.00 21.33 N ATOM 1293 CA MET B 40 24.733 2.274 15.725 1.00 21.87 C ATOM 1294 C MET B 40 23.840 3.053 14.794 1.00 22.38 C ATOM 1295 O MET B 40 24.259 4.096 14.282 1.00 21.45 O ATOM 1296 CB MET B 40 24.813 3.023 17.047 1.00 22.35 C ATOM 1297 CG MET B 40 25.425 2.212 18.173 1.00 22.83 C ATOM 1298 SD MET B 40 24.490 0.695 18.630 1.00 25.79 S ATOM 1299 CE MET B 40 22.980 1.408 19.265 1.00 25.40 C ATOM 1300 H MET B 40 26.876 2.584 15.572 1.00 0.00 H ATOM 1301 N GLY B 41 22.648 2.525 14.513 1.00 23.65 N ATOM 1302 CA GLY B 41 21.771 3.141 13.531 1.00 24.91 C ATOM 1303 C GLY B 41 22.393 3.310 12.158 1.00 25.53 C ATOM 1304 O GLY B 41 22.048 4.257 11.456 1.00 27.38 O ATOM 1305 H GLY B 41 22.342 1.660 15.003 1.00 0.00 H ATOM 1306 N GLY B 42 23.316 2.422 11.784 1.00 25.59 N ATOM 1307 CA GLY B 42 23.971 2.453 10.481 1.00 25.11 C ATOM 1308 C GLY B 42 25.231 3.289 10.322 1.00 24.52 C ATOM 1309 O GLY B 42 25.755 3.378 9.214 1.00 25.94 O ATOM 1310 H GLY B 42 23.581 1.672 12.454 1.00 0.00 H ATOM 1311 N ASP B 43 25.681 3.968 11.384 1.00 21.58 N ATOM 1312 CA ASP B 43 26.868 4.836 11.288 1.00 20.52 C ATOM 1313 C ASP B 43 27.620 4.763 12.586 1.00 17.99 C ATOM 1314 O ASP B 43 26.986 4.901 13.617 1.00 18.26 O ATOM 1315 CB ASP B 43 26.463 6.301 11.051 1.00 20.77 C ATOM 1316 CG ASP B 43 27.572 7.129 10.397 1.00 21.23 C ATOM 1317 OD1 ASP B 43 28.784 6.863 10.568 1.00 20.46 O ATOM 1318 OD2 ASP B 43 27.171 8.125 9.749 1.00 22.44 O ATOM 1319 H ASP B 43 25.184 3.881 12.293 1.00 0.00 H ATOM 1320 N HIS B 44 28.950 4.609 12.580 1.00 16.83 N ATOM 1321 CA HIS B 44 29.665 4.735 13.855 1.00 15.46 C ATOM 1322 C HIS B 44 29.785 6.195 14.306 1.00 13.58 C ATOM 1323 O HIS B 44 29.925 6.441 15.516 1.00 12.28 O ATOM 1324 CB HIS B 44 31.026 4.041 13.875 1.00 16.62 C ATOM 1325 CG HIS B 44 32.039 4.658 12.973 1.00 18.47 C ATOM 1326 ND1 HIS B 44 32.501 4.017 11.839 1.00 21.62 N ATOM 1327 CD2 HIS B 44 32.738 5.815 13.064 1.00 19.69 C ATOM 1328 CE1 HIS B 44 33.398 4.789 11.240 1.00 22.56 C ATOM 1329 NE2 HIS B 44 33.549 5.890 11.957 1.00 21.62 N ATOM 1330 H HIS B 44 29.461 4.406 11.697 1.00 0.00 H ATOM 1331 N GLU B 45 29.668 7.149 13.378 1.00 12.61 N ATOM 1332 CA GLU B 45 29.696 8.578 13.710 1.00 12.10 C ATOM 1333 C GLU B 45 28.316 9.161 13.914 1.00 11.89 C ATOM 1334 O GLU B 45 27.471 8.996 13.056 1.00 11.90 O ATOM 1335 CB GLU B 45 30.436 9.391 12.643 1.00 12.16 C ATOM 1336 CG GLU B 45 30.553 10.883 12.995 1.00 11.91 C ATOM 1337 CD GLU B 45 31.486 11.677 12.121 1.00 12.11 C ATOM 1338 OE1 GLU B 45 32.728 11.507 12.267 1.00 12.09 O ATOM 1339 OE2 GLU B 45 30.963 12.493 11.333 1.00 12.57 O ATOM 1340 H GLU B 45 29.553 6.868 12.383 1.00 0.00 H ATOM 1341 N HIS B 46 28.126 9.878 15.015 1.00 11.76 N ATOM 1342 CA HIS B 46 26.870 10.563 15.311 1.00 12.06 C ATOM 1343 C HIS B 46 27.206 11.976 15.743 1.00 11.20 C ATOM 1344 O HIS B 46 27.808 12.155 16.803 1.00 11.21 O ATOM 1345 CB HIS B 46 26.111 9.827 16.424 1.00 12.91 C ATOM 1346 CG HIS B 46 25.588 8.489 16.008 1.00 14.26 C ATOM 1347 ND1 HIS B 46 24.252 8.258 15.785 1.00 16.03 N ATOM 1348 CD2 HIS B 46 26.231 7.342 15.711 1.00 14.92 C ATOM 1349 CE1 HIS B 46 24.097 7.004 15.396 1.00 16.39 C ATOM 1350 NE2 HIS B 46 25.284 6.423 15.344 1.00 15.68 N ATOM 1351 H HIS B 46 28.907 9.956 15.698 1.00 0.00 H ATOM 1352 N VAL B 47 26.755 12.976 15.000 1.00 10.68 N ATOM 1353 CA VAL B 47 26.849 14.375 15.407 1.00 10.50 C ATOM 1354 C VAL B 47 25.526 14.727 16.100 1.00 10.49 C ATOM 1355 O VAL B 47 24.449 14.566 15.533 1.00 10.74 O ATOM 1356 CB VAL B 47 27.109 15.303 14.228 1.00 10.66 C ATOM 1357 CG1 VAL B 47 27.240 16.749 14.701 1.00 10.79 C ATOM 1358 CG2 VAL B 47 28.385 14.864 13.458 1.00 10.66 C ATOM 1359 H VAL B 47 26.314 12.754 14.085 1.00 0.00 H ATOM 1360 N VAL B 48 25.638 15.179 17.342 1.00 10.29 N ATOM 1361 CA VAL B 48 24.497 15.285 18.254 1.00 10.27 C ATOM 1362 C VAL B 48 24.594 16.566 19.066 1.00 10.27 C ATOM 1363 O VAL B 48 25.648 17.186 19.143 1.00 10.16 O ATOM 1364 CB VAL B 48 24.460 14.088 19.229 1.00 10.08 C ATOM 1365 CG1 VAL B 48 24.160 12.818 18.488 1.00 10.48 C ATOM 1366 CG2 VAL B 48 25.796 13.933 19.958 1.00 9.97 C ATOM 1367 H VAL B 48 26.576 15.471 17.683 1.00 0.00 H ATOM 1368 N PHE B 49 23.479 16.970 19.649 1.00 10.22 N ATOM 1369 CA PHE B 49 23.481 18.103 20.581 1.00 10.59 C ATOM 1370 C PHE B 49 22.667 17.760 21.809 1.00 10.48 C ATOM 1371 O PHE B 49 21.726 16.975 21.761 1.00 10.22 O ATOM 1372 CB PHE B 49 22.999 19.412 19.932 1.00 11.17 C ATOM 1373 CG PHE B 49 21.574 19.386 19.507 1.00 11.72 C ATOM 1374 CD1 PHE B 49 20.581 19.803 20.382 1.00 12.10 C ATOM 1375 CD2 PHE B 49 21.206 18.997 18.205 1.00 12.07 C ATOM 1376 CE1 PHE B 49 19.245 19.778 20.012 1.00 12.83 C ATOM 1377 CE2 PHE B 49 19.872 18.977 17.829 1.00 12.63 C ATOM 1378 CZ PHE B 49 18.891 19.372 18.714 1.00 13.03 C ATOM 1379 H PHE B 49 22.586 16.477 19.444 1.00 0.00 H ATOM 1380 N ASN B 50 23.062 18.331 22.942 1.00 10.41 N ATOM 1381 CA ASN B 50 22.367 18.086 24.217 1.00 10.85 C ATOM 1382 C ASN B 50 21.352 19.219 24.475 1.00 11.11 C ATOM 1383 O ASN B 50 21.251 20.185 23.715 1.00 10.98 O ATOM 1384 CB ASN B 50 23.353 17.847 25.381 1.00 11.05 C ATOM 1385 CG ASN B 50 24.151 19.061 25.759 1.00 11.53 C ATOM 1386 OD1 ASN B 50 23.856 20.185 25.366 1.00 11.74 O ATOM 1387 ND2 ASN B 50 25.176 18.826 26.579 1.00 11.84 N ATOM 1388 HD22 ASN B 50 25.386 17.854 26.884 1.00 0.00 H ATOM 1389 HD21 ASN B 50 25.766 19.615 26.913 1.00 0.00 H ATOM 1390 H ASN B 50 23.884 18.968 22.928 1.00 0.00 H ATOM 1391 N PRO B 51 20.568 19.116 25.573 1.00 11.60 N ATOM 1392 CA PRO B 51 19.590 20.159 25.866 1.00 11.87 C ATOM 1393 C PRO B 51 20.175 21.551 26.127 1.00 12.10 C ATOM 1394 O PRO B 51 19.467 22.536 25.953 1.00 12.77 O ATOM 1395 CB PRO B 51 18.866 19.636 27.089 1.00 12.25 C ATOM 1396 CG PRO B 51 19.014 18.179 26.986 1.00 12.05 C ATOM 1397 CD PRO B 51 20.338 17.913 26.386 1.00 11.70 C ATOM 1398 N ALA B 52 21.446 21.602 26.524 1.00 11.69 N ATOM 1399 CA ALA B 52 22.154 22.863 26.695 1.00 11.95 C ATOM 1400 C ALA B 52 22.668 23.435 25.386 1.00 11.93 C ATOM 1401 O ALA B 52 23.246 24.510 25.381 1.00 12.09 O ATOM 1402 CB ALA B 52 23.302 22.695 27.672 1.00 11.95 C ATOM 1403 H ALA B 52 21.949 20.712 26.718 1.00 0.00 H ATOM 1404 N GLY B 53 22.454 22.728 24.285 1.00 11.68 N ATOM 1405 CA GLY B 53 22.872 23.167 22.952 1.00 12.14 C ATOM 1406 C GLY B 53 24.334 22.918 22.644 1.00 12.47 C ATOM 1407 O GLY B 53 24.832 23.403 21.613 1.00 12.75 O ATOM 1408 H GLY B 53 21.964 21.815 24.373 1.00 0.00 H ATOM 1409 N MET B 54 25.014 22.119 23.455 1.00 12.85 N ATOM 1410 CA MET B 54 26.403 21.741 23.142 1.00 13.47 C ATOM 1411 C MET B 54 26.375 20.653 22.057 1.00 12.46 C ATOM 1412 O MET B 54 25.619 19.713 22.162 1.00 11.51 O ATOM 1413 CB MET B 54 27.123 21.213 24.382 1.00 15.19 C ATOM 1414 CG MET B 54 26.970 22.059 25.630 1.00 17.27 C ATOM 1415 SD MET B 54 27.805 21.236 26.982 1.00 20.44 S ATOM 1416 CE MET B 54 26.533 21.246 28.206 1.00 19.85 C ATOM 1417 H MET B 54 24.563 21.756 24.319 1.00 0.00 H ATOM 1418 N ILE B 55 27.193 20.836 21.026 1.00 12.01 N ATOM 1419 CA ILE B 55 27.305 19.903 19.905 1.00 11.64 C ATOM 1420 C ILE B 55 28.494 19.022 20.104 1.00 11.34 C ATOM 1421 O ILE B 55 29.581 19.510 20.467 1.00 12.45 O ATOM 1422 CB ILE B 55 27.422 20.687 18.560 1.00 11.96 C ATOM 1423 CG1 ILE B 55 26.104 21.437 18.304 1.00 12.24 C ATOM 1424 CG2 ILE B 55 27.681 19.753 17.398 1.00 11.83 C ATOM 1425 CD1 ILE B 55 26.196 22.485 17.237 1.00 12.85 C ATOM 1426 H ILE B 55 27.787 21.690 21.015 1.00 0.00 H ATOM 1427 N PHE B 56 28.336 17.733 19.837 1.00 10.68 N ATOM 1428 CA PHE B 56 29.431 16.744 19.944 1.00 10.55 C ATOM 1429 C PHE B 56 29.464 15.859 18.736 1.00 10.32 C ATOM 1430 O PHE B 56 28.417 15.552 18.187 1.00 10.06 O ATOM 1431 CB PHE B 56 29.263 15.833 21.167 1.00 10.63 C ATOM 1432 CG PHE B 56 29.190 16.574 22.472 1.00 11.06 C ATOM 1433 CD1 PHE B 56 27.957 16.990 22.974 1.00 11.27 C ATOM 1434 CD2 PHE B 56 30.335 16.844 23.216 1.00 11.42 C ATOM 1435 CE1 PHE B 56 27.871 17.635 24.189 1.00 11.76 C ATOM 1436 CE2 PHE B 56 30.251 17.543 24.410 1.00 11.77 C ATOM 1437 CZ PHE B 56 29.015 17.922 24.884 1.00 12.09 C ATOM 1438 H PHE B 56 27.397 17.401 19.538 1.00 0.00 H ATOM 1439 N ARG B 57 30.643 15.426 18.329 1.00 10.10 N ATOM 1440 CA ARG B 57 30.787 14.422 17.296 1.00 10.34 C ATOM 1441 C ARG B 57 31.264 13.159 17.974 1.00 10.07 C ATOM 1442 O ARG B 57 32.414 13.066 18.406 1.00 10.00 O ATOM 1443 CB ARG B 57 31.735 14.856 16.175 1.00 10.98 C ATOM 1444 CG ARG B 57 31.935 13.823 15.076 1.00 11.41 C ATOM 1445 CD ARG B 57 32.622 14.484 13.915 1.00 12.01 C ATOM 1446 NE ARG B 57 33.984 14.902 14.231 1.00 12.78 N ATOM 1447 CZ ARG B 57 35.106 14.296 13.845 1.00 13.08 C ATOM 1448 NH1 ARG B 57 35.100 13.220 13.104 1.00 13.05 N ATOM 1449 NH2 ARG B 57 36.272 14.785 14.261 1.00 14.24 N ATOM 1450 HE ARG B 57 34.089 15.756 14.815 1.00 0.00 H ATOM 1451 HH12 ARG B 57 35.998 12.777 12.824 1.00 0.00 H ATOM 1452 HH11 ARG B 57 34.197 12.807 12.794 1.00 0.00 H ATOM 1453 HH22 ARG B 57 37.160 14.328 13.972 1.00 0.00 H ATOM 1454 HH21 ARG B 57 36.295 15.624 14.875 1.00 0.00 H ATOM 1455 H ARG B 57 31.500 15.821 18.767 1.00 0.00 H ATOM 1456 N VAL B 58 30.355 12.201 18.100 1.00 9.97 N ATOM 1457 CA VAL B 58 30.544 10.982 18.855 1.00 10.16 C ATOM 1458 C VAL B 58 30.818 9.814 17.929 1.00 9.90 C ATOM 1459 O VAL B 58 30.166 9.682 16.903 1.00 10.18 O ATOM 1460 CB VAL B 58 29.240 10.748 19.680 1.00 10.42 C ATOM 1461 CG1 VAL B 58 29.043 9.353 20.191 1.00 10.40 C ATOM 1462 CG2 VAL B 58 29.264 11.726 20.874 1.00 10.40 C ATOM 1463 H VAL B 58 29.441 12.336 17.622 1.00 0.00 H ATOM 1464 N TRP B 59 31.769 8.961 18.288 1.00 9.92 N ATOM 1465 CA TRP B 59 32.005 7.687 17.632 1.00 9.99 C ATOM 1466 C TRP B 59 31.574 6.577 18.594 1.00 9.81 C ATOM 1467 O TRP B 59 31.960 6.594 19.746 1.00 9.32 O ATOM 1468 CB TRP B 59 33.465 7.509 17.213 1.00 10.30 C ATOM 1469 CG TRP B 59 33.788 8.227 15.912 1.00 10.70 C ATOM 1470 CD1 TRP B 59 33.123 9.292 15.366 1.00 11.00 C ATOM 1471 CD2 TRP B 59 34.888 7.965 15.044 1.00 11.11 C ATOM 1472 NE1 TRP B 59 33.727 9.684 14.183 1.00 11.39 N ATOM 1473 CE2 TRP B 59 34.787 8.863 13.947 1.00 11.66 C ATOM 1474 CE3 TRP B 59 35.930 7.036 15.053 1.00 11.42 C ATOM 1475 CZ2 TRP B 59 35.702 8.866 12.900 1.00 12.03 C ATOM 1476 CZ3 TRP B 59 36.821 7.021 14.004 1.00 11.95 C ATOM 1477 CH2 TRP B 59 36.694 7.921 12.931 1.00 12.26 C ATOM 1478 HE1 TRP B 59 33.422 10.472 13.577 1.00 0.00 H ATOM 1479 H TRP B 59 32.382 9.220 19.087 1.00 0.00 H ATOM 1480 N CYS B 60 30.829 5.604 18.093 1.00 9.99 N ATOM 1481 CA CYS B 60 30.343 4.513 18.917 1.00 10.34 C ATOM 1482 C CYS B 60 31.328 3.345 18.912 1.00 10.03 C ATOM 1483 O CYS B 60 31.806 2.928 17.836 1.00 10.07 O ATOM 1484 CB CYS B 60 28.995 4.054 18.431 1.00 11.15 C ATOM 1485 SG CYS B 60 27.731 5.319 18.625 1.00 12.93 S ATOM 1486 H CYS B 60 30.586 5.622 17.082 1.00 0.00 H ATOM 1487 N PHE B 61 31.592 2.822 20.125 1.00 9.78 N ATOM 1488 CA PHE B 61 32.468 1.684 20.326 1.00 9.75 C ATOM 1489 C PHE B 61 31.778 0.665 21.199 1.00 9.77 C ATOM 1490 O PHE B 61 31.063 1.020 22.119 1.00 9.77 O ATOM 1491 CB PHE B 61 33.770 2.085 21.031 1.00 9.81 C ATOM 1492 CG PHE B 61 34.666 3.001 20.228 1.00 10.08 C ATOM 1493 CD1 PHE B 61 34.486 4.371 20.242 1.00 10.08 C ATOM 1494 CD2 PHE B 61 35.693 2.479 19.464 1.00 10.31 C ATOM 1495 CE1 PHE B 61 35.325 5.216 19.541 1.00 10.27 C ATOM 1496 CE2 PHE B 61 36.552 3.317 18.758 1.00 10.56 C ATOM 1497 CZ PHE B 61 36.377 4.689 18.788 1.00 10.49 C ATOM 1498 H PHE B 61 31.146 3.256 20.958 1.00 0.00 H ATOM 1499 N SER B 62 31.969 -0.608 20.917 1.00 9.94 N ATOM 1500 CA SER B 62 31.321 -1.668 21.695 1.00 10.24 C ATOM 1501 C SER B 62 31.848 -1.770 23.118 1.00 10.38 C ATOM 1502 O SER B 62 31.088 -2.075 24.047 1.00 11.09 O ATOM 1503 CB SER B 62 31.504 -3.010 21.008 1.00 10.67 C ATOM 1504 OG SER B 62 32.891 -3.275 20.902 1.00 10.59 O ATOM 1505 HG SER B 62 33.323 -2.561 20.370 1.00 0.00 H ATOM 1506 H SER B 62 32.593 -0.866 20.126 1.00 0.00 H ATOM 1507 N LEU B 63 33.125 -1.520 23.273 1.00 10.16 N ATOM 1508 CA LEU B 63 33.820 -1.627 24.552 1.00 10.29 C ATOM 1509 C LEU B 63 34.784 -0.466 24.661 1.00 10.25 C ATOM 1510 O LEU B 63 35.135 0.177 23.647 1.00 9.93 O ATOM 1511 CB LEU B 63 34.607 -2.937 24.638 1.00 10.69 C ATOM 1512 CG LEU B 63 33.884 -4.261 24.408 1.00 11.24 C ATOM 1513 CD1 LEU B 63 34.919 -5.360 24.423 1.00 11.90 C ATOM 1514 CD2 LEU B 63 32.742 -4.516 25.376 1.00 11.48 C ATOM 1515 H LEU B 63 33.674 -1.229 22.439 1.00 0.00 H ATOM 1516 N ALA B 64 35.210 -0.212 25.888 1.00 10.37 N ATOM 1517 CA ALA B 64 36.310 0.703 26.164 1.00 10.68 C ATOM 1518 C ALA B 64 36.976 0.294 27.450 1.00 11.71 C ATOM 1519 O ALA B 64 36.474 -0.587 28.163 1.00 12.05 O ATOM 1520 CB ALA B 64 35.827 2.131 26.231 1.00 10.33 C ATOM 1521 H ALA B 64 34.741 -0.684 26.687 1.00 0.00 H ATOM 1522 N GLN B 65 38.086 0.913 27.741 1.00 12.64 N ATOM 1523 CA GLN B 65 38.798 0.686 28.996 1.00 13.95 C ATOM 1524 C GLN B 65 39.402 1.993 29.442 1.00 13.42 C ATOM 1525 O GLN B 65 39.480 2.964 28.704 1.00 12.72 O ATOM 1526 CB GLN B 65 39.933 -0.324 28.852 1.00 16.33 C ATOM 1527 CG GLN B 65 40.907 0.034 27.758 1.00 18.12 C ATOM 1528 CD GLN B 65 41.757 -1.165 27.405 1.00 21.34 C ATOM 1529 OE1 GLN B 65 41.269 -2.130 26.815 1.00 24.60 O ATOM 1530 NE2 GLN B 65 43.011 -1.137 27.823 1.00 23.32 N ATOM 1531 HE22 GLN B 65 43.376 -0.298 28.317 1.00 0.00 H ATOM 1532 HE21 GLN B 65 43.633 -1.954 27.658 1.00 0.00 H ATOM 1533 H GLN B 65 38.478 1.591 27.057 1.00 0.00 H ATOM 1534 N GLY B 66 39.794 2.016 30.705 1.00 13.51 N ATOM 1535 CA GLY B 66 40.493 3.169 31.229 1.00 13.49 C ATOM 1536 C GLY B 66 39.639 4.373 31.551 1.00 13.38 C ATOM 1537 O GLY B 66 40.201 5.423 31.883 1.00 13.96 O ATOM 1538 H GLY B 66 39.599 1.203 31.323 1.00 0.00 H ATOM 1539 N LEU B 67 38.322 4.242 31.487 1.00 12.78 N ATOM 1540 CA LEU B 67 37.434 5.350 31.794 1.00 12.99 C ATOM 1541 C LEU B 67 36.930 5.230 33.225 1.00 13.77 C ATOM 1542 O LEU B 67 37.140 4.186 33.872 1.00 13.46 O ATOM 1543 CB LEU B 67 36.225 5.353 30.853 1.00 12.23 C ATOM 1544 CG LEU B 67 36.576 5.470 29.369 1.00 11.83 C ATOM 1545 CD1 LEU B 67 35.443 5.072 28.452 1.00 11.32 C ATOM 1546 CD2 LEU B 67 36.964 6.898 29.042 1.00 11.97 C ATOM 1547 H LEU B 67 37.915 3.326 31.211 1.00 0.00 H ATOM 1548 N ARG B 68 36.296 6.288 33.715 1.00 14.37 N ATOM 1549 CA ARG B 68 35.580 6.278 34.986 1.00 15.96 C ATOM 1550 C ARG B 68 34.206 6.842 34.697 1.00 15.19 C ATOM 1551 O ARG B 68 34.082 7.968 34.208 1.00 14.76 O ATOM 1552 CB ARG B 68 36.274 7.167 36.002 1.00 17.97 C ATOM 1553 CG ARG B 68 35.646 7.213 37.374 1.00 19.95 C ATOM 1554 CD ARG B 68 35.621 5.869 38.096 1.00 22.44 C ATOM 1555 NE ARG B 68 34.887 5.912 39.367 1.00 25.03 N ATOM 1556 CZ ARG B 68 35.398 6.184 40.580 1.00 27.04 C ATOM 1557 NH1 ARG B 68 36.689 6.476 40.756 1.00 28.19 N ATOM 1558 NH2 ARG B 68 34.585 6.196 41.632 1.00 29.13 N ATOM 1559 HE ARG B 68 33.867 5.711 39.324 1.00 0.00 H ATOM 1560 HH12 ARG B 68 37.050 6.681 41.709 1.00 0.00 H ATOM 1561 HH11 ARG B 68 37.333 6.498 39.940 1.00 0.00 H ATOM 1562 HH22 ARG B 68 34.962 6.404 42.578 1.00 0.00 H ATOM 1563 HH21 ARG B 68 33.572 5.997 41.508 1.00 0.00 H ATOM 1564 H ARG B 68 36.310 7.170 33.164 1.00 0.00 H ATOM 1565 N LEU B 69 33.169 6.065 34.964 1.00 14.91 N ATOM 1566 CA LEU B 69 31.806 6.447 34.706 1.00 15.75 C ATOM 1567 C LEU B 69 31.253 7.096 35.959 1.00 17.38 C ATOM 1568 O LEU B 69 31.376 6.536 37.068 1.00 18.12 O ATOM 1569 CB LEU B 69 31.001 5.217 34.293 1.00 15.54 C ATOM 1570 CG LEU B 69 31.562 4.432 33.112 1.00 15.66 C ATOM 1571 CD1 LEU B 69 30.582 3.352 32.684 1.00 16.13 C ATOM 1572 CD2 LEU B 69 31.898 5.255 31.905 1.00 15.60 C ATOM 1573 H LEU B 69 33.348 5.130 35.382 1.00 0.00 H ATOM 1574 N ILE B 70 30.664 8.279 35.793 1.00 18.11 N ATOM 1575 CA ILE B 70 30.290 9.183 36.879 1.00 20.67 C ATOM 1576 C ILE B 70 28.780 9.245 37.029 1.00 21.40 C ATOM 1577 O ILE B 70 28.056 9.447 36.060 1.00 21.58 O ATOM 1578 CB ILE B 70 30.715 10.616 36.499 1.00 22.48 C ATOM 1579 CG1 ILE B 70 32.207 10.687 36.150 1.00 23.76 C ATOM 1580 CG2 ILE B 70 30.354 11.587 37.601 1.00 24.33 C ATOM 1581 CD1 ILE B 70 33.082 10.211 37.281 1.00 24.21 C ATOM 1582 H ILE B 70 30.455 8.581 34.820 1.00 0.00 H ATOM 1583 N GLY B 71 28.305 9.061 38.259 1.00 22.57 N ATOM 1584 CA GLY B 71 26.890 9.195 38.575 1.00 23.60 C ATOM 1585 C GLY B 71 26.065 7.985 38.196 1.00 23.51 C ATOM 1586 O GLY B 71 26.590 6.925 37.762 1.00 25.84 O ATOM 1587 H GLY B 71 28.968 8.813 39.021 1.00 0.00 H ATOM 1588 N ALA B 72 24.742 8.146 38.331 1.00 23.22 N ATOM 1589 CA ALA B 72 23.796 7.094 37.994 1.00 22.48 C ATOM 1590 C ALA B 72 23.325 7.268 36.553 1.00 21.24 C ATOM 1591 O ALA B 72 23.305 8.402 36.052 1.00 21.50 O ATOM 1592 CB ALA B 72 22.616 7.135 38.924 1.00 23.86 C ATOM 1593 H ALA B 72 24.380 9.053 38.688 1.00 0.00 H ATOM 1594 N PRO B 73 22.898 6.173 35.896 1.00 20.54 N ATOM 1595 CA PRO B 73 22.427 6.307 34.517 1.00 19.55 C ATOM 1596 C PRO B 73 21.173 7.156 34.398 1.00 19.16 C ATOM 1597 O PRO B 73 20.339 7.191 35.323 1.00 19.31 O ATOM 1598 CB PRO B 73 22.103 4.876 34.102 1.00 20.28 C ATOM 1599 CG PRO B 73 22.824 4.006 35.080 1.00 21.16 C ATOM 1600 CD PRO B 73 22.848 4.779 36.358 1.00 20.76 C ATOM 1601 N SER B 74 21.053 7.855 33.270 1.00 18.13 N ATOM 1602 CA SER B 74 19.898 8.694 33.012 1.00 18.27 C ATOM 1603 C SER B 74 19.356 8.354 31.651 1.00 18.21 C ATOM 1604 O SER B 74 20.119 8.225 30.696 1.00 16.66 O ATOM 1605 CB SER B 74 20.288 10.165 33.077 1.00 18.76 C ATOM 1606 OG SER B 74 19.212 11.014 32.693 1.00 19.59 O ATOM 1607 HG SER B 74 19.503 11.959 32.748 1.00 0.00 H ATOM 1608 H SER B 74 21.807 7.798 32.556 1.00 0.00 H ATOM 1609 N GLY B 75 18.019 8.275 31.570 1.00 18.81 N ATOM 1610 CA GLY B 75 17.342 8.143 30.293 1.00 19.50 C ATOM 1611 C GLY B 75 17.030 9.447 29.599 1.00 19.59 C ATOM 1612 O GLY B 75 16.725 9.452 28.381 1.00 21.62 O ATOM 1613 H GLY B 75 17.455 8.309 32.443 1.00 0.00 H ATOM 1614 N GLU B 76 17.194 10.558 30.323 1.00 19.60 N ATOM 1615 CA GLU B 76 16.795 11.887 29.824 1.00 19.99 C ATOM 1616 C GLU B 76 17.545 12.256 28.559 1.00 18.70 C ATOM 1617 O GLU B 76 18.788 12.244 28.556 1.00 18.77 O ATOM 1618 CB GLU B 76 17.140 12.951 30.861 1.00 21.37 C ATOM 1619 CG GLU B 76 16.368 12.844 32.150 1.00 23.81 C ATOM 1620 CD GLU B 76 15.175 13.759 32.191 1.00 25.65 C ATOM 1621 OE1 GLU B 76 14.804 14.333 31.126 1.00 27.52 O ATOM 1622 OE2 GLU B 76 14.617 13.874 33.288 1.00 28.26 O ATOM 1623 H GLU B 76 17.617 10.483 31.270 1.00 0.00 H ATOM 1624 N PHE B 77 16.814 12.530 27.469 1.00 17.23 N ATOM 1625 CA PHE B 77 17.399 13.050 26.229 1.00 17.00 C ATOM 1626 C PHE B 77 18.491 12.185 25.638 1.00 15.24 C ATOM 1627 O PHE B 77 19.409 12.643 24.957 1.00 14.88 O ATOM 1628 CB PHE B 77 17.872 14.472 26.451 1.00 18.14 C ATOM 1629 CG PHE B 77 16.786 15.359 27.025 1.00 19.75 C ATOM 1630 CD1 PHE B 77 15.649 15.670 26.267 1.00 20.91 C ATOM 1631 CD2 PHE B 77 16.886 15.855 28.306 1.00 21.37 C ATOM 1632 CE1 PHE B 77 14.639 16.446 26.784 1.00 22.01 C ATOM 1633 CE2 PHE B 77 15.898 16.668 28.816 1.00 21.69 C ATOM 1634 CZ PHE B 77 14.760 16.937 28.073 1.00 22.24 C ATOM 1635 H PHE B 77 15.788 12.367 27.504 1.00 0.00 H ATOM 1636 N SER B 78 18.337 10.883 25.855 1.00 14.32 N ATOM 1637 CA SER B 78 19.312 9.955 25.323 1.00 13.31 C ATOM 1638 C SER B 78 19.392 10.050 23.811 1.00 12.90 C ATOM 1639 O SER B 78 18.337 9.998 23.144 1.00 13.82 O ATOM 1640 CB SER B 78 18.987 8.540 25.737 1.00 13.36 C ATOM 1641 OG SER B 78 20.020 7.701 25.223 1.00 13.00 O ATOM 1642 HG SER B 78 19.838 6.762 25.477 1.00 0.00 H ATOM 1643 H SER B 78 17.524 10.534 26.402 1.00 0.00 H ATOM 1644 N TRP B 79 20.608 10.101 23.280 1.00 12.13 N ATOM 1645 CA TRP B 79 20.787 10.111 21.829 1.00 12.32 C ATOM 1646 C TRP B 79 20.534 8.755 21.150 1.00 13.15 C ATOM 1647 O TRP B 79 20.460 8.669 19.915 1.00 14.05 O ATOM 1648 CB TRP B 79 22.192 10.598 21.475 1.00 11.48 C ATOM 1649 CG TRP B 79 22.438 12.016 21.853 1.00 11.15 C ATOM 1650 CD1 TRP B 79 21.600 13.078 21.675 1.00 11.22 C ATOM 1651 CD2 TRP B 79 23.606 12.533 22.477 1.00 10.66 C ATOM 1652 NE1 TRP B 79 22.169 14.213 22.164 1.00 11.09 N ATOM 1653 CE2 TRP B 79 23.414 13.920 22.651 1.00 10.68 C ATOM 1654 CE3 TRP B 79 24.823 11.962 22.875 1.00 10.42 C ATOM 1655 CZ2 TRP B 79 24.377 14.750 23.212 1.00 10.73 C ATOM 1656 CZ3 TRP B 79 25.787 12.773 23.450 1.00 10.42 C ATOM 1657 CH2 TRP B 79 25.573 14.144 23.601 1.00 10.65 C ATOM 1658 HE1 TRP B 79 21.728 15.155 22.167 1.00 0.00 H ATOM 1659 H TRP B 79 21.441 10.134 23.902 1.00 0.00 H ATOM 1660 N PHE B 80 20.404 7.700 21.960 1.00 13.53 N ATOM 1661 CA PHE B 80 20.207 6.358 21.449 1.00 14.21 C ATOM 1662 C PHE B 80 18.995 5.780 22.145 1.00 15.05 C ATOM 1663 O PHE B 80 19.008 5.500 23.336 1.00 14.81 O ATOM 1664 CB PHE B 80 21.467 5.509 21.646 1.00 13.97 C ATOM 1665 CG PHE B 80 22.679 6.080 20.958 1.00 13.93 C ATOM 1666 CD1 PHE B 80 22.917 5.825 19.614 1.00 14.20 C ATOM 1667 CD2 PHE B 80 23.563 6.904 21.637 1.00 13.45 C ATOM 1668 CE1 PHE B 80 24.015 6.405 18.974 1.00 14.08 C ATOM 1669 CE2 PHE B 80 24.657 7.451 21.012 1.00 13.39 C ATOM 1670 CZ PHE B 80 24.868 7.228 19.679 1.00 13.77 C ATOM 1671 H PHE B 80 20.445 7.846 22.989 1.00 0.00 H ATOM 1672 N LYS B 81 17.909 5.667 21.381 1.00 16.77 N ATOM 1673 CA LYS B 81 16.624 5.245 21.933 1.00 18.05 C ATOM 1674 C LYS B 81 16.744 3.882 22.606 1.00 18.05 C ATOM 1675 O LYS B 81 17.347 2.954 22.058 1.00 19.08 O ATOM 1676 CB LYS B 81 15.562 5.194 20.820 1.00 19.53 C ATOM 1677 CG LYS B 81 14.160 4.906 21.312 1.00 20.95 C ATOM 1678 H LYS B 81 17.978 5.885 20.366 1.00 0.00 H ATOM 1679 N GLY B 82 16.227 3.783 23.818 1.00 17.83 N ATOM 1680 CA GLY B 82 16.253 2.551 24.583 1.00 17.81 C ATOM 1681 C GLY B 82 17.444 2.394 25.503 1.00 16.88 C ATOM 1682 O GLY B 82 17.560 1.381 26.236 1.00 17.61 O ATOM 1683 H GLY B 82 15.783 4.623 24.241 1.00 0.00 H ATOM 1684 N TYR B 83 18.377 3.362 25.468 1.00 15.45 N ATOM 1685 CA TYR B 83 19.545 3.331 26.331 1.00 14.82 C ATOM 1686 C TYR B 83 19.546 4.473 27.331 1.00 14.83 C ATOM 1687 O TYR B 83 19.111 5.577 27.013 1.00 14.77 O ATOM 1688 CB TYR B 83 20.848 3.423 25.498 1.00 14.17 C ATOM 1689 CG TYR B 83 21.051 2.210 24.633 1.00 14.30 C ATOM 1690 CD1 TYR B 83 20.527 2.154 23.348 1.00 14.55 C ATOM 1691 CD2 TYR B 83 21.737 1.095 25.106 1.00 14.56 C ATOM 1692 CE1 TYR B 83 20.701 1.037 22.565 1.00 15.07 C ATOM 1693 CE2 TYR B 83 21.924 -0.021 24.312 1.00 14.82 C ATOM 1694 CZ TYR B 83 21.393 -0.051 23.036 1.00 15.41 C ATOM 1695 OH TYR B 83 21.548 -1.155 22.208 1.00 16.44 O ATOM 1696 HH TYR B 83 21.143 -1.949 22.639 1.00 0.00 H ATOM 1697 H TYR B 83 18.259 4.154 24.805 1.00 0.00 H ATOM 1698 N ASP B 84 20.123 4.223 28.492 1.00 15.26 N ATOM 1699 CA ASP B 84 20.413 5.214 29.506 1.00 15.67 C ATOM 1700 C ASP B 84 21.908 5.516 29.390 1.00 14.93 C ATOM 1701 O ASP B 84 22.649 4.638 28.972 1.00 15.33 O ATOM 1702 CB ASP B 84 20.117 4.652 30.892 1.00 17.41 C ATOM 1703 CG ASP B 84 18.715 4.842 31.330 1.00 19.26 C ATOM 1704 OD1 ASP B 84 17.778 4.932 30.502 1.00 20.00 O ATOM 1705 OD2 ASP B 84 18.595 4.848 32.577 1.00 22.28 O ATOM 1706 H ASP B 84 20.390 3.238 28.693 1.00 0.00 H ATOM 1707 N TRP B 85 22.305 6.717 29.779 1.00 13.32 N ATOM 1708 CA TRP B 85 23.703 7.137 29.685 1.00 12.71 C ATOM 1709 C TRP B 85 24.319 7.563 31.007 1.00 12.37 C ATOM 1710 O TRP B 85 23.614 8.038 31.902 1.00 12.24 O ATOM 1711 CB TRP B 85 23.852 8.276 28.675 1.00 12.39 C ATOM 1712 CG TRP B 85 22.958 9.458 28.917 1.00 12.61 C ATOM 1713 CD1 TRP B 85 21.729 9.669 28.369 1.00 13.00 C ATOM 1714 CD2 TRP B 85 23.190 10.564 29.774 1.00 12.88 C ATOM 1715 NE1 TRP B 85 21.178 10.826 28.826 1.00 13.21 N ATOM 1716 CE2 TRP B 85 22.070 11.431 29.656 1.00 13.09 C ATOM 1717 CE3 TRP B 85 24.254 10.944 30.610 1.00 13.09 C ATOM 1718 CZ2 TRP B 85 21.971 12.631 30.364 1.00 13.34 C ATOM 1719 CZ3 TRP B 85 24.181 12.185 31.265 1.00 13.31 C ATOM 1720 CH2 TRP B 85 23.019 12.990 31.164 1.00 13.55 C ATOM 1721 HE1 TRP B 85 20.234 11.187 28.582 1.00 0.00 H ATOM 1722 H TRP B 85 21.603 7.381 30.163 1.00 0.00 H ATOM 1723 N THR B 86 25.639 7.415 31.061 1.00 11.85 N ATOM 1724 CA THR B 86 26.451 7.932 32.146 1.00 12.22 C ATOM 1725 C THR B 86 27.639 8.618 31.519 1.00 12.10 C ATOM 1726 O THR B 86 28.176 8.160 30.530 1.00 12.51 O ATOM 1727 CB THR B 86 26.992 6.878 33.133 1.00 12.34 C ATOM 1728 OG1 THR B 86 27.638 5.840 32.400 1.00 12.04 O ATOM 1729 CG2 THR B 86 25.930 6.357 34.059 1.00 12.79 C ATOM 1730 HG1 THR B 86 27.987 5.161 33.030 1.00 0.00 H ATOM 1731 H THR B 86 26.112 6.904 30.288 1.00 0.00 H ATOM 1732 N ILE B 87 28.050 9.710 32.119 1.00 12.48 N ATOM 1733 CA ILE B 87 29.224 10.462 31.693 1.00 12.67 C ATOM 1734 C ILE B 87 30.486 9.620 31.897 1.00 12.31 C ATOM 1735 O ILE B 87 30.653 9.026 32.953 1.00 12.05 O ATOM 1736 CB ILE B 87 29.327 11.801 32.459 1.00 14.05 C ATOM 1737 CG1 ILE B 87 28.163 12.708 32.050 1.00 15.11 C ATOM 1738 CG2 ILE B 87 30.677 12.479 32.230 1.00 14.28 C ATOM 1739 CD1 ILE B 87 27.898 13.848 32.991 1.00 16.29 C ATOM 1740 H ILE B 87 27.512 10.056 32.939 1.00 0.00 H ATOM 1741 N ALA B 88 31.353 9.599 30.903 1.00 11.63 N ATOM 1742 CA ALA B 88 32.638 8.902 30.938 1.00 11.58 C ATOM 1743 C ALA B 88 33.800 9.845 30.941 1.00 11.87 C ATOM 1744 O ALA B 88 33.959 10.615 29.997 1.00 11.98 O ATOM 1745 CB ALA B 88 32.723 7.950 29.736 1.00 10.96 C ATOM 1746 H ALA B 88 31.105 10.114 30.034 1.00 0.00 H ATOM 1747 N LEU B 89 34.619 9.802 31.986 1.00 12.34 N ATOM 1748 CA LEU B 89 35.860 10.554 32.049 1.00 13.07 C ATOM 1749 C LEU B 89 37.017 9.616 31.817 1.00 13.18 C ATOM 1750 O LEU B 89 36.926 8.431 32.129 1.00 13.56 O ATOM 1751 CB LEU B 89 36.034 11.191 33.419 1.00 13.87 C ATOM 1752 CG LEU B 89 34.891 12.092 33.894 1.00 14.52 C ATOM 1753 CD1 LEU B 89 35.226 12.698 35.221 1.00 15.33 C ATOM 1754 CD2 LEU B 89 34.594 13.208 32.897 1.00 14.76 C ATOM 1755 H LEU B 89 34.360 9.203 32.796 1.00 0.00 H ATOM 1756 N CYS B 90 38.132 10.129 31.314 1.00 13.37 N ATOM 1757 CA CYS B 90 39.370 9.371 31.401 1.00 14.15 C ATOM 1758 C CYS B 90 39.674 9.082 32.871 1.00 14.73 C ATOM 1759 O CYS B 90 39.661 9.980 33.704 1.00 15.27 O ATOM 1760 CB CYS B 90 40.523 10.139 30.820 1.00 14.62 C ATOM 1761 SG CYS B 90 42.107 9.224 30.911 1.00 15.03 S ATOM 1762 H CYS B 90 38.121 11.065 30.861 1.00 0.00 H ATOM 1763 N GLY B 91 39.891 7.815 33.208 1.00 15.26 N ATOM 1764 CA GLY B 91 40.160 7.409 34.571 1.00 15.91 C ATOM 1765 C GLY B 91 41.508 7.890 35.087 1.00 17.01 C ATOM 1766 O GLY B 91 41.725 8.001 36.296 1.00 17.54 O ATOM 1767 H GLY B 91 39.867 7.088 32.465 1.00 0.00 H ATOM 1768 N GLN B 92 42.408 8.197 34.170 1.00 16.64 N ATOM 1769 CA GLN B 92 43.762 8.600 34.507 1.00 17.77 C ATOM 1770 C GLN B 92 43.894 10.099 34.672 1.00 17.92 C ATOM 1771 O GLN B 92 44.432 10.531 35.685 1.00 19.44 O ATOM 1772 CB GLN B 92 44.705 8.087 33.425 1.00 17.77 C ATOM 1773 CG GLN B 92 46.162 8.249 33.690 1.00 18.74 C ATOM 1774 CD GLN B 92 46.970 7.182 32.963 1.00 18.70 C ATOM 1775 OE1 GLN B 92 47.264 6.079 33.525 1.00 18.49 O ATOM 1776 NE2 GLN B 92 47.414 7.526 31.765 1.00 18.06 N ATOM 1777 HE22 GLN B 92 47.142 8.441 31.353 1.00 0.00 H ATOM 1778 HE21 GLN B 92 48.035 6.881 31.236 1.00 0.00 H ATOM 1779 H GLN B 92 42.136 8.148 33.167 1.00 0.00 H ATOM 1780 N CYS B 93 43.373 10.890 33.750 1.00 17.78 N ATOM 1781 CA CYS B 93 43.502 12.354 33.809 1.00 18.39 C ATOM 1782 C CYS B 93 42.224 13.159 34.019 1.00 18.32 C ATOM 1783 O CYS B 93 42.288 14.367 34.214 1.00 18.95 O ATOM 1784 CB CYS B 93 44.192 12.870 32.542 1.00 18.68 C ATOM 1785 SG CYS B 93 43.140 12.894 31.082 1.00 18.54 S ATOM 1786 H CYS B 93 42.854 10.463 32.956 1.00 0.00 H ATOM 1787 N GLY B 94 41.057 12.522 33.931 1.00 17.39 N ATOM 1788 CA GLY B 94 39.782 13.206 34.132 1.00 17.28 C ATOM 1789 C GLY B 94 39.159 13.900 32.939 1.00 17.13 C ATOM 1790 O GLY B 94 38.078 14.467 33.063 1.00 17.30 O ATOM 1791 H GLY B 94 41.054 11.505 33.712 1.00 0.00 H ATOM 1792 N SER B 95 39.813 13.826 31.772 1.00 16.60 N ATOM 1793 CA SER B 95 39.282 14.420 30.535 1.00 16.63 C ATOM 1794 C SER B 95 37.889 13.851 30.230 1.00 15.63 C ATOM 1795 O SER B 95 37.700 12.644 30.348 1.00 14.65 O ATOM 1796 CB SER B 95 40.235 14.140 29.382 1.00 17.24 C ATOM 1797 OG SER B 95 39.749 14.698 28.155 1.00 18.14 O ATOM 1798 HG SER B 95 39.655 15.678 28.254 1.00 0.00 H ATOM 1799 H SER B 95 40.727 13.332 31.739 1.00 0.00 H ATOM 1800 N HIS B 96 36.931 14.680 29.841 1.00 15.27 N ATOM 1801 CA HIS B 96 35.606 14.155 29.476 1.00 14.51 C ATOM 1802 C HIS B 96 35.700 13.517 28.104 1.00 13.70 C ATOM 1803 O HIS B 96 35.909 14.226 27.109 1.00 14.61 O ATOM 1804 CB HIS B 96 34.536 15.231 29.470 1.00 14.93 C ATOM 1805 CG HIS B 96 33.201 14.758 28.970 1.00 15.24 C ATOM 1806 ND1 HIS B 96 32.337 15.536 28.209 1.00 15.75 N ATOM 1807 CD2 HIS B 96 32.600 13.548 29.097 1.00 14.84 C ATOM 1808 CE1 HIS B 96 31.276 14.813 27.881 1.00 15.55 C ATOM 1809 NE2 HIS B 96 31.378 13.634 28.470 1.00 14.79 N ATOM 1810 H HIS B 96 37.116 15.702 29.794 1.00 0.00 H ATOM 1811 N LEU B 97 35.605 12.188 28.026 1.00 12.54 N ATOM 1812 CA LEU B 97 35.777 11.470 26.766 1.00 11.85 C ATOM 1813 C LEU B 97 34.488 11.022 26.116 1.00 10.99 C ATOM 1814 O LEU B 97 34.520 10.695 24.939 1.00 10.91 O ATOM 1815 CB LEU B 97 36.715 10.282 26.956 1.00 12.40 C ATOM 1816 CG LEU B 97 38.165 10.637 27.330 1.00 13.17 C ATOM 1817 CD1 LEU B 97 39.067 9.429 27.337 1.00 13.59 C ATOM 1818 CD2 LEU B 97 38.811 11.687 26.472 1.00 13.89 C ATOM 1819 H LEU B 97 35.402 11.646 28.890 1.00 0.00 H ATOM 1820 N GLY B 98 33.377 11.013 26.809 1.00 10.38 N ATOM 1821 CA GLY B 98 32.081 10.683 26.194 1.00 9.77 C ATOM 1822 C GLY B 98 31.082 10.176 27.216 1.00 9.54 C ATOM 1823 O GLY B 98 30.950 10.747 28.318 1.00 9.37 O ATOM 1824 H GLY B 98 33.411 11.245 27.822 1.00 0.00 H ATOM 1825 N TRP B 99 30.399 9.103 26.818 1.00 9.37 N ATOM 1826 CA TRP B 99 29.333 8.517 27.606 1.00 9.77 C ATOM 1827 C TRP B 99 29.309 7.029 27.448 1.00 9.63 C ATOM 1828 O TRP B 99 29.697 6.514 26.418 1.00 9.38 O ATOM 1829 CB TRP B 99 27.952 9.054 27.121 1.00 10.09 C ATOM 1830 CG TRP B 99 27.806 10.522 27.301 1.00 10.45 C ATOM 1831 CD1 TRP B 99 27.257 11.130 28.340 1.00 10.95 C ATOM 1832 CD2 TRP B 99 28.241 11.551 26.411 1.00 10.64 C ATOM 1833 NE1 TRP B 99 27.317 12.483 28.223 1.00 11.45 N ATOM 1834 CE2 TRP B 99 27.937 12.790 27.045 1.00 10.99 C ATOM 1835 CE3 TRP B 99 28.868 11.563 25.150 1.00 10.76 C ATOM 1836 CZ2 TRP B 99 28.179 14.013 26.435 1.00 11.36 C ATOM 1837 CZ3 TRP B 99 29.160 12.800 24.583 1.00 10.90 C ATOM 1838 CH2 TRP B 99 28.811 13.986 25.236 1.00 11.14 C ATOM 1839 HE1 TRP B 99 26.952 13.169 28.914 1.00 0.00 H ATOM 1840 H TRP B 99 30.641 8.668 25.905 1.00 0.00 H ATOM 1841 N HIS B 100 28.823 6.345 28.480 1.00 9.89 N ATOM 1842 CA HIS B 100 28.505 4.931 28.412 1.00 10.50 C ATOM 1843 C HIS B 100 27.001 4.771 28.340 1.00 10.57 C ATOM 1844 O HIS B 100 26.293 5.473 29.050 1.00 10.99 O ATOM 1845 CB HIS B 100 29.024 4.196 29.650 1.00 11.26 C ATOM 1846 CG HIS B 100 28.919 2.712 29.532 1.00 12.24 C ATOM 1847 ND1 HIS B 100 28.286 1.926 30.469 1.00 14.24 N ATOM 1848 CD2 HIS B 100 29.374 1.876 28.566 1.00 13.16 C ATOM 1849 CE1 HIS B 100 28.375 0.666 30.084 1.00 14.08 C ATOM 1850 NE2 HIS B 100 29.021 0.611 28.937 1.00 14.25 N ATOM 1851 H HIS B 100 28.664 6.847 29.377 1.00 0.00 H ATOM 1852 N TYR B 101 26.546 3.854 27.486 1.00 10.51 N ATOM 1853 CA TYR B 101 25.136 3.569 27.281 1.00 11.12 C ATOM 1854 C TYR B 101 24.837 2.177 27.762 1.00 12.50 C ATOM 1855 O TYR B 101 25.615 1.251 27.537 1.00 12.76 O ATOM 1856 CB TYR B 101 24.772 3.701 25.786 1.00 10.64 C ATOM 1857 CG TYR B 101 24.798 5.149 25.343 1.00 10.12 C ATOM 1858 CD1 TYR B 101 23.720 6.005 25.568 1.00 10.23 C ATOM 1859 CD2 TYR B 101 25.971 5.702 24.828 1.00 9.93 C ATOM 1860 CE1 TYR B 101 23.809 7.349 25.250 1.00 10.07 C ATOM 1861 CE2 TYR B 101 26.067 7.051 24.541 1.00 9.48 C ATOM 1862 CZ TYR B 101 25.003 7.869 24.756 1.00 9.77 C ATOM 1863 OH TYR B 101 25.054 9.178 24.402 1.00 9.94 O ATOM 1864 HH TYR B 101 24.196 9.615 24.632 1.00 0.00 H ATOM 1865 H TYR B 101 27.241 3.311 26.934 1.00 0.00 H ATOM 1866 N GLU B 102 23.688 2.028 28.422 1.00 14.25 N ATOM 1867 CA GLU B 102 23.278 0.738 28.978 1.00 16.58 C ATOM 1868 C GLU B 102 21.771 0.612 28.976 1.00 17.68 C ATOM 1869 O GLU B 102 21.044 1.565 28.779 1.00 15.69 O ATOM 1870 CB GLU B 102 23.787 0.572 30.424 1.00 18.35 C ATOM 1871 CG GLU B 102 23.204 1.578 31.396 1.00 20.62 C ATOM 1872 CD GLU B 102 23.759 1.437 32.793 1.00 23.06 C ATOM 1873 OE1 GLU B 102 24.937 1.767 33.003 1.00 24.75 O ATOM 1874 OE2 GLU B 102 22.994 0.997 33.675 1.00 27.41 O ATOM 1875 H GLU B 102 23.066 2.852 28.545 1.00 0.00 H ATOM 1876 N GLY B 103 21.329 -0.587 29.314 1.00 20.17 N ATOM 1877 CA GLY B 103 19.898 -0.856 29.503 1.00 21.86 C ATOM 1878 C GLY B 103 19.136 -1.137 28.235 1.00 24.09 C ATOM 1879 O GLY B 103 17.904 -1.247 28.266 1.00 24.73 O ATOM 1880 H GLY B 103 22.012 -1.359 29.449 1.00 0.00 H ATOM 1881 N GLY B 104 19.856 -1.303 27.129 1.00 25.00 N ATOM 1882 CA GLY B 104 19.250 -1.644 25.851 1.00 26.13 C ATOM 1883 C GLY B 104 19.377 -3.118 25.528 1.00 28.21 C ATOM 1884 O GLY B 104 19.569 -3.962 26.406 1.00 27.80 O ATOM 1885 H GLY B 104 20.888 -1.185 27.180 1.00 0.00 H ATOM 1886 N SER B 105 19.273 -3.414 24.236 1.00 29.96 N ATOM 1887 CA SER B 105 19.376 -4.777 23.714 1.00 31.51 C ATOM 1888 C SER B 105 20.176 -4.758 22.425 1.00 30.36 C ATOM 1889 O SER B 105 20.010 -3.850 21.608 1.00 30.56 O ATOM 1890 CB SER B 105 17.982 -5.344 23.433 1.00 33.72 C ATOM 1891 OG SER B 105 17.290 -4.519 22.513 1.00 36.21 O ATOM 1892 HG SER B 105 17.798 -4.475 21.664 1.00 0.00 H ATOM 1893 H SER B 105 19.110 -2.638 23.563 1.00 0.00 H ATOM 1894 N GLN B 106 21.064 -5.743 22.273 1.00 29.76 N ATOM 1895 CA GLN B 106 21.814 -5.974 21.038 1.00 29.94 C ATOM 1896 C GLN B 106 22.464 -4.688 20.464 1.00 27.59 C ATOM 1897 O GLN B 106 22.108 -4.256 19.372 1.00 28.00 O ATOM 1898 CB GLN B 106 20.922 -6.669 19.991 1.00 32.21 C ATOM 1899 CG GLN B 106 20.055 -7.802 20.565 1.00 34.51 C ATOM 1900 CD GLN B 106 19.094 -8.420 19.561 1.00 37.02 C ATOM 1901 OE1 GLN B 106 19.431 -8.568 18.386 1.00 39.52 O ATOM 1902 NE2 GLN B 106 17.911 -8.835 20.023 1.00 38.10 N ATOM 1903 HE22 GLN B 106 17.664 -8.691 21.023 1.00 0.00 H ATOM 1904 HE21 GLN B 106 17.237 -9.302 19.383 1.00 0.00 H ATOM 1905 H GLN B 106 21.232 -6.381 23.077 1.00 0.00 H ATOM 1906 N PRO B 107 23.430 -4.098 21.165 1.00 23.87 N ATOM 1907 CA PRO B 107 24.017 -4.621 22.401 1.00 23.19 C ATOM 1908 C PRO B 107 23.340 -4.086 23.645 1.00 22.05 C ATOM 1909 O PRO B 107 22.605 -3.091 23.583 1.00 22.77 O ATOM 1910 CB PRO B 107 25.445 -4.092 22.333 1.00 22.52 C ATOM 1911 CG PRO B 107 25.307 -2.775 21.667 1.00 22.30 C ATOM 1912 CD PRO B 107 24.199 -2.947 20.639 1.00 22.87 C ATOM 1913 N GLN B 108 23.585 -4.714 24.782 1.00 20.83 N ATOM 1914 CA GLN B 108 23.046 -4.176 26.026 1.00 21.06 C ATOM 1915 C GLN B 108 23.736 -2.883 26.405 1.00 19.20 C ATOM 1916 O GLN B 108 23.082 -2.007 26.976 1.00 19.69 O ATOM 1917 CB GLN B 108 23.151 -5.190 27.160 1.00 22.43 C ATOM 1918 CG GLN B 108 22.145 -6.321 26.998 1.00 25.18 C ATOM 1919 CD GLN B 108 22.183 -7.301 28.151 1.00 27.15 C ATOM 1920 OE1 GLN B 108 22.272 -6.911 29.327 1.00 30.02 O ATOM 1921 NE2 GLN B 108 22.145 -8.576 27.827 1.00 29.78 N ATOM 1922 HE22 GLN B 108 22.070 -8.857 26.828 1.00 0.00 H ATOM 1923 HE21 GLN B 108 22.190 -9.303 28.570 1.00 0.00 H ATOM 1924 H GLN B 108 24.156 -5.583 24.790 1.00 0.00 H ATOM 1925 N THR B 109 25.036 -2.803 26.096 1.00 17.45 N ATOM 1926 CA THR B 109 25.874 -1.654 26.436 1.00 16.34 C ATOM 1927 C THR B 109 26.850 -1.303 25.317 1.00 14.76 C ATOM 1928 O THR B 109 27.243 -2.158 24.504 1.00 14.63 O ATOM 1929 CB THR B 109 26.706 -1.897 27.698 1.00 16.77 C ATOM 1930 OG1 THR B 109 27.693 -2.890 27.446 1.00 17.68 O ATOM 1931 CG2 THR B 109 25.841 -2.321 28.881 1.00 17.57 C ATOM 1932 HG1 THR B 109 27.250 -3.734 27.180 1.00 0.00 H ATOM 1933 H THR B 109 25.472 -3.599 25.588 1.00 0.00 H ATOM 1934 N PHE B 110 27.254 -0.033 25.284 1.00 12.75 N ATOM 1935 CA PHE B 110 28.257 0.467 24.347 1.00 11.87 C ATOM 1936 C PHE B 110 28.676 1.882 24.809 1.00 11.00 C ATOM 1937 O PHE B 110 28.112 2.428 25.743 1.00 10.82 O ATOM 1938 CB PHE B 110 27.729 0.474 22.896 1.00 11.97 C ATOM 1939 CG PHE B 110 26.666 1.495 22.637 1.00 11.90 C ATOM 1940 CD1 PHE B 110 25.316 1.234 22.906 1.00 12.21 C ATOM 1941 CD2 PHE B 110 27.013 2.734 22.094 1.00 11.75 C ATOM 1942 CE1 PHE B 110 24.356 2.220 22.638 1.00 12.39 C ATOM 1943 CE2 PHE B 110 26.075 3.678 21.859 1.00 11.75 C ATOM 1944 CZ PHE B 110 24.761 3.446 22.128 1.00 12.00 C ATOM 1945 H PHE B 110 26.834 0.636 25.960 1.00 0.00 H ATOM 1946 N PHE B 111 29.691 2.444 24.149 1.00 10.26 N ATOM 1947 CA PHE B 111 30.195 3.759 24.441 1.00 9.60 C ATOM 1948 C PHE B 111 29.980 4.679 23.259 1.00 9.24 C ATOM 1949 O PHE B 111 30.174 4.273 22.108 1.00 9.33 O ATOM 1950 CB PHE B 111 31.710 3.697 24.733 1.00 9.68 C ATOM 1951 CG PHE B 111 32.037 3.051 26.042 1.00 9.97 C ATOM 1952 CD1 PHE B 111 32.139 1.682 26.117 1.00 10.53 C ATOM 1953 CD2 PHE B 111 32.216 3.801 27.194 1.00 10.33 C ATOM 1954 CE1 PHE B 111 32.407 1.045 27.322 1.00 10.93 C ATOM 1955 CE2 PHE B 111 32.523 3.183 28.414 1.00 10.88 C ATOM 1956 CZ PHE B 111 32.650 1.807 28.455 1.00 10.93 C ATOM 1957 H PHE B 111 30.141 1.903 23.383 1.00 0.00 H ATOM 1958 N GLY B 112 29.711 5.934 23.554 1.00 8.82 N ATOM 1959 CA GLY B 112 29.809 7.000 22.554 1.00 8.74 C ATOM 1960 C GLY B 112 30.898 7.934 23.004 1.00 8.70 C ATOM 1961 O GLY B 112 30.760 8.660 23.995 1.00 8.61 O ATOM 1962 H GLY B 112 29.421 6.175 24.523 1.00 0.00 H ATOM 1963 N LEU B 113 31.995 7.927 22.266 1.00 8.90 N ATOM 1964 CA LEU B 113 33.180 8.668 22.658 1.00 9.18 C ATOM 1965 C LEU B 113 33.393 9.854 21.725 1.00 9.35 C ATOM 1966 O LEU B 113 33.121 9.764 20.539 1.00 9.85 O ATOM 1967 CB LEU B 113 34.413 7.780 22.664 1.00 9.30 C ATOM 1968 CG LEU B 113 34.310 6.560 23.589 1.00 9.36 C ATOM 1969 CD1 LEU B 113 35.628 5.771 23.518 1.00 9.70 C ATOM 1970 CD2 LEU B 113 34.017 6.959 25.005 1.00 9.45 C ATOM 1971 H LEU B 113 32.009 7.377 21.383 1.00 0.00 H ATOM 1972 N ILE B 114 33.872 10.948 22.285 1.00 9.63 N ATOM 1973 CA ILE B 114 34.066 12.189 21.543 1.00 10.10 C ATOM 1974 C ILE B 114 35.330 12.098 20.720 1.00 10.30 C ATOM 1975 O ILE B 114 36.438 12.075 21.268 1.00 10.28 O ATOM 1976 CB ILE B 114 34.116 13.394 22.489 1.00 10.57 C ATOM 1977 CG1 ILE B 114 32.816 13.485 23.299 1.00 10.74 C ATOM 1978 CG2 ILE B 114 34.340 14.694 21.691 1.00 10.95 C ATOM 1979 CD1 ILE B 114 32.911 14.362 24.507 1.00 11.25 C ATOM 1980 H ILE B 114 34.121 10.925 23.294 1.00 0.00 H ATOM 1981 N LYS B 115 35.166 12.042 19.391 1.00 10.69 N ATOM 1982 CA LYS B 115 36.298 11.763 18.484 1.00 11.49 C ATOM 1983 C LYS B 115 37.451 12.719 18.680 1.00 12.13 C ATOM 1984 O LYS B 115 38.592 12.281 18.715 1.00 12.24 O ATOM 1985 CB LYS B 115 35.804 11.816 17.047 1.00 12.01 C ATOM 1986 CG LYS B 115 36.850 11.631 15.958 1.00 12.65 C ATOM 1987 CD LYS B 115 37.607 10.328 16.021 1.00 12.87 C ATOM 1988 CE LYS B 115 38.513 10.160 14.790 1.00 13.71 C ATOM 1989 NZ LYS B 115 39.584 11.175 14.630 1.00 14.35 N ATOM 1990 HZ1 LYS B 115 39.156 12.119 14.549 1.00 0.00 H ATOM 1991 HZ2 LYS B 115 40.212 11.148 15.459 1.00 0.00 H ATOM 1992 HZ3 LYS B 115 40.132 10.966 13.771 1.00 0.00 H ATOM 1993 H LYS B 115 34.220 12.199 18.989 1.00 0.00 H ATOM 1994 N ASP B 116 37.163 14.010 18.837 1.00 12.66 N ATOM 1995 CA ASP B 116 38.166 15.065 18.997 1.00 13.79 C ATOM 1996 C ASP B 116 38.977 14.992 20.271 1.00 14.24 C ATOM 1997 O ASP B 116 39.976 15.694 20.416 1.00 15.22 O ATOM 1998 CB ASP B 116 37.467 16.436 19.045 1.00 14.23 C ATOM 1999 CG ASP B 116 36.949 16.890 17.720 1.00 14.55 C ATOM 2000 OD1 ASP B 116 37.382 16.446 16.652 1.00 14.72 O ATOM 2001 OD2 ASP B 116 36.081 17.774 17.749 1.00 15.10 O ATOM 2002 H ASP B 116 36.161 14.287 18.847 1.00 0.00 H ATOM 2003 N ARG B 117 38.503 14.191 21.233 1.00 14.28 N ATOM 2004 CA ARG B 117 39.188 14.007 22.525 1.00 15.17 C ATOM 2005 C ARG B 117 40.035 12.752 22.577 1.00 14.11 C ATOM 2006 O ARG B 117 40.636 12.448 23.598 1.00 14.02 O ATOM 2007 CB ARG B 117 38.153 14.036 23.644 1.00 17.04 C ATOM 2008 CG ARG B 117 37.391 15.340 23.683 1.00 19.82 C ATOM 2009 CD ARG B 117 37.597 16.039 25.036 1.00 23.21 C ATOM 2010 NE ARG B 117 37.043 17.406 25.093 1.00 26.93 N ATOM 2011 CZ ARG B 117 35.891 17.783 25.673 1.00 28.88 C ATOM 2012 NH1 ARG B 117 35.541 19.068 25.656 1.00 31.35 N ATOM 2013 NH2 ARG B 117 35.075 16.910 26.257 1.00 28.48 N ATOM 2014 HE ARG B 117 37.602 18.155 24.637 1.00 0.00 H ATOM 2015 HH12 ARG B 117 34.652 19.371 26.102 1.00 0.00 H ATOM 2016 HH11 ARG B 117 36.157 19.769 25.197 1.00 0.00 H ATOM 2017 HH22 ARG B 117 34.191 17.238 26.696 1.00 0.00 H ATOM 2018 HH21 ARG B 117 35.321 15.900 26.274 1.00 0.00 H ATOM 2019 H ARG B 117 37.615 13.677 21.062 1.00 0.00 H ATOM 2020 N LEU B 118 40.096 12.028 21.453 1.00 13.13 N ATOM 2021 CA LEU B 118 40.894 10.812 21.329 1.00 12.96 C ATOM 2022 C LEU B 118 42.002 11.044 20.294 1.00 13.18 C ATOM 2023 O LEU B 118 41.869 11.915 19.423 1.00 13.80 O ATOM 2024 CB LEU B 118 40.013 9.673 20.865 1.00 12.76 C ATOM 2025 CG LEU B 118 38.829 9.311 21.764 1.00 12.58 C ATOM 2026 CD1 LEU B 118 37.974 8.294 20.997 1.00 12.64 C ATOM 2027 CD2 LEU B 118 39.314 8.807 23.105 1.00 12.87 C ATOM 2028 H LEU B 118 39.549 12.347 20.628 1.00 0.00 H ATOM 2029 N ALA B 119 43.052 10.253 20.388 1.00 13.12 N ATOM 2030 CA ALA B 119 44.120 10.245 19.387 1.00 13.59 C ATOM 2031 C ALA B 119 44.254 8.841 18.891 1.00 13.64 C ATOM 2032 O ALA B 119 44.421 7.922 19.691 1.00 14.12 O ATOM 2033 CB ALA B 119 45.443 10.739 19.983 1.00 14.15 C ATOM 2034 H ALA B 119 43.124 9.611 21.203 1.00 0.00 H ATOM 2035 N GLU B 120 44.189 8.633 17.577 1.00 13.99 N ATOM 2036 CA GLU B 120 44.328 7.303 16.989 1.00 14.97 C ATOM 2037 C GLU B 120 45.783 7.033 16.597 1.00 15.85 C ATOM 2038 O GLU B 120 46.463 7.922 16.106 1.00 14.91 O ATOM 2039 CB GLU B 120 43.423 7.170 15.782 1.00 15.72 C ATOM 2040 CG GLU B 120 43.281 5.732 15.270 1.00 16.81 C ATOM 2041 CD GLU B 120 42.271 5.573 14.156 1.00 17.80 C ATOM 2042 OE1 GLU B 120 41.834 6.563 13.631 1.00 19.80 O ATOM 2043 OE2 GLU B 120 41.953 4.446 13.785 1.00 20.41 O ATOM 2044 H GLU B 120 44.034 9.446 16.947 1.00 0.00 H ATOM 2045 N GLY B 121 46.239 5.817 16.851 1.00 17.12 N ATOM 2046 CA GLY B 121 47.651 5.510 16.641 1.00 19.69 C ATOM 2047 C GLY B 121 47.896 4.019 16.722 1.00 21.76 C ATOM 2048 O GLY B 121 47.013 3.257 17.063 1.00 20.34 O ATOM 2049 H GLY B 121 45.592 5.081 17.200 1.00 0.00 H ATOM 2050 N PRO B 122 49.118 3.591 16.408 1.00 23.99 N ATOM 2051 CA PRO B 122 49.419 2.168 16.441 1.00 25.74 C ATOM 2052 C PRO B 122 49.417 1.584 17.848 1.00 27.89 C ATOM 2053 O PRO B 122 49.638 2.292 18.830 1.00 28.19 O ATOM 2054 CB PRO B 122 50.823 2.075 15.825 1.00 26.38 C ATOM 2055 CG PRO B 122 51.400 3.437 15.953 1.00 26.48 C ATOM 2056 CD PRO B 122 50.260 4.413 15.977 1.00 25.37 C ATOM 2057 N ALA B 123 49.128 0.295 17.916 1.00 30.64 N ATOM 2058 CA ALA B 123 49.049 -0.415 19.171 1.00 32.85 C ATOM 2059 C ALA B 123 50.478 -0.780 19.592 1.00 35.26 C ATOM 2060 O ALA B 123 50.838 -0.696 20.780 1.00 38.17 O ATOM 2061 CB ALA B 123 48.177 -1.661 19.003 1.00 33.29 C ATOM 2062 H ALA B 123 48.951 -0.226 17.034 1.00 0.00 H TER 2063 ALA B 123 ATOM 2064 N GLY C 18 22.972 11.525 -13.431 1.00 45.85 N ATOM 2065 CA GLY C 18 24.034 11.468 -12.379 1.00 45.86 C ATOM 2066 C GLY C 18 24.110 10.155 -11.621 1.00 44.35 C ATOM 2067 O GLY C 18 24.601 10.121 -10.515 1.00 43.43 O ATOM 2068 HN3 GLY C 18 22.041 11.378 -12.991 1.00 0.00 H ATOM 2069 HN2 GLY C 18 23.144 10.781 -14.137 1.00 0.00 H ATOM 2070 HN1 GLY C 18 22.995 12.456 -13.895 1.00 0.00 H ATOM 2071 N ALA C 19 23.602 9.075 -12.212 1.00 43.21 N ATOM 2072 CA ALA C 19 23.700 7.733 -11.631 1.00 41.40 C ATOM 2073 C ALA C 19 24.388 6.836 -12.669 1.00 39.44 C ATOM 2074 O ALA C 19 23.875 5.862 -13.176 1.00 40.53 O ATOM 2075 CB ALA C 19 22.329 7.206 -11.253 1.00 42.74 C ATOM 2076 H ALA C 19 23.115 9.189 -13.124 1.00 0.00 H ATOM 2077 N SER C 20 25.605 7.221 -12.997 1.00 36.30 N ATOM 2078 CA SER C 20 26.296 6.762 -14.194 1.00 34.76 C ATOM 2079 C SER C 20 27.577 5.976 -13.963 1.00 31.88 C ATOM 2080 O SER C 20 27.913 5.093 -14.728 1.00 29.43 O ATOM 2081 CB SER C 20 26.573 7.991 -15.049 1.00 37.02 C ATOM 2082 OG SER C 20 27.269 7.652 -16.217 1.00 38.20 O ATOM 2083 HG SER C 20 28.133 7.234 -15.975 1.00 0.00 H ATOM 2084 H SER C 20 26.098 7.887 -12.368 1.00 0.00 H ATOM 2085 N ILE C 21 28.321 6.330 -12.947 1.00 28.77 N ATOM 2086 CA ILE C 21 29.498 5.551 -12.500 1.00 27.58 C ATOM 2087 C ILE C 21 29.292 5.153 -11.028 1.00 26.25 C ATOM 2088 O ILE C 21 28.608 5.874 -10.231 1.00 25.60 O ATOM 2089 CB ILE C 21 30.768 6.407 -12.647 1.00 28.22 C ATOM 2090 CG1 ILE C 21 31.036 6.809 -14.110 1.00 29.15 C ATOM 2091 CG2 ILE C 21 31.978 5.724 -12.017 1.00 27.44 C ATOM 2092 CD1 ILE C 21 31.311 5.664 -15.053 1.00 29.45 C ATOM 2093 H ILE C 21 28.075 7.198 -12.430 1.00 0.00 H ATOM 2094 N PHE C 22 29.751 3.949 -10.712 1.00 24.84 N ATOM 2095 CA PHE C 22 29.515 3.347 -9.401 1.00 24.85 C ATOM 2096 C PHE C 22 30.867 3.144 -8.748 1.00 24.42 C ATOM 2097 O PHE C 22 31.787 2.564 -9.371 1.00 22.71 O ATOM 2098 CB PHE C 22 28.836 1.976 -9.561 1.00 25.01 C ATOM 2099 CG PHE C 22 27.443 2.060 -10.139 1.00 26.62 C ATOM 2100 CD1 PHE C 22 27.248 2.193 -11.526 1.00 27.43 C ATOM 2101 CD2 PHE C 22 26.342 2.119 -9.304 1.00 28.12 C ATOM 2102 CE1 PHE C 22 25.975 2.342 -12.041 1.00 28.43 C ATOM 2103 CE2 PHE C 22 25.068 2.244 -9.839 1.00 29.56 C ATOM 2104 CZ PHE C 22 24.888 2.383 -11.200 1.00 29.60 C ATOM 2105 H PHE C 22 30.296 3.416 -11.420 1.00 0.00 H ATOM 2106 N ARG C 23 30.982 3.590 -7.492 1.00 24.94 N ATOM 2107 CA ARG C 23 32.289 3.685 -6.779 1.00 24.89 C ATOM 2108 C ARG C 23 32.157 3.060 -5.391 1.00 24.67 C ATOM 2109 O ARG C 23 31.081 3.043 -4.837 1.00 25.73 O ATOM 2110 CB ARG C 23 32.766 5.153 -6.554 1.00 27.39 C ATOM 2111 CG ARG C 23 32.659 6.011 -7.783 1.00 28.79 C ATOM 2112 CD ARG C 23 33.153 7.423 -7.654 1.00 30.32 C ATOM 2113 NE ARG C 23 33.404 7.864 -9.031 1.00 31.80 N ATOM 2114 CZ ARG C 23 34.502 7.571 -9.705 1.00 32.54 C ATOM 2115 NH1 ARG C 23 35.529 6.933 -9.094 1.00 32.38 N ATOM 2116 NH2 ARG C 23 34.587 7.955 -10.961 1.00 33.85 N ATOM 2117 HE ARG C 23 32.677 8.439 -9.503 1.00 0.00 H ATOM 2118 HH12 ARG C 23 36.391 6.705 -9.629 1.00 0.00 H ATOM 2119 HH11 ARG C 23 35.455 6.672 -8.090 1.00 0.00 H ATOM 2120 HH22 ARG C 23 35.440 7.737 -11.515 1.00 0.00 H ATOM 2121 HH21 ARG C 23 33.801 8.476 -11.400 1.00 0.00 H ATOM 2122 H ARG C 23 30.120 3.884 -6.989 1.00 0.00 H ATOM 2123 N CYS C 24 33.251 2.574 -4.814 1.00 22.76 N ATOM 2124 CA CYS C 24 33.240 2.148 -3.431 1.00 22.60 C ATOM 2125 C CYS C 24 32.846 3.305 -2.503 1.00 23.89 C ATOM 2126 O CYS C 24 33.416 4.356 -2.576 1.00 23.85 O ATOM 2127 CB CYS C 24 34.614 1.629 -3.042 1.00 20.99 C ATOM 2128 SG CYS C 24 34.819 1.213 -1.310 1.00 20.14 S ATOM 2129 H CYS C 24 34.130 2.499 -5.365 1.00 0.00 H ATOM 2130 N ARG C 25 31.844 3.101 -1.673 1.00 26.49 N ATOM 2131 CA ARG C 25 31.371 4.099 -0.705 1.00 29.08 C ATOM 2132 C ARG C 25 32.433 4.539 0.290 1.00 28.92 C ATOM 2133 O ARG C 25 32.418 5.699 0.740 1.00 29.82 O ATOM 2134 CB ARG C 25 30.185 3.525 0.085 1.00 31.25 C ATOM 2135 CG ARG C 25 29.770 4.231 1.353 1.00 33.55 C ATOM 2136 CD ARG C 25 28.464 3.722 1.792 1.00 35.52 C ATOM 2137 NE ARG C 25 28.085 4.188 3.115 1.00 38.63 N ATOM 2138 CZ ARG C 25 26.852 4.073 3.621 1.00 40.97 C ATOM 2139 NH1 ARG C 25 25.854 3.536 2.925 1.00 41.03 N ATOM 2140 NH2 ARG C 25 26.590 4.508 4.830 1.00 42.93 N ATOM 2141 HE ARG C 25 28.815 4.637 3.703 1.00 0.00 H ATOM 2142 HH12 ARG C 25 24.907 3.461 3.348 1.00 0.00 H ATOM 2143 HH11 ARG C 25 26.021 3.191 1.958 1.00 0.00 H ATOM 2144 HH22 ARG C 25 25.630 4.416 5.219 1.00 0.00 H ATOM 2145 HH21 ARG C 25 27.342 4.945 5.400 1.00 0.00 H ATOM 2146 H ARG C 25 31.360 2.181 -1.705 1.00 0.00 H ATOM 2147 N GLN C 26 33.328 3.628 0.645 1.00 28.56 N ATOM 2148 CA GLN C 26 34.270 3.854 1.755 1.00 28.92 C ATOM 2149 C GLN C 26 35.505 4.617 1.292 1.00 27.17 C ATOM 2150 O GLN C 26 36.038 5.447 2.041 1.00 27.37 O ATOM 2151 CB GLN C 26 34.681 2.535 2.426 1.00 31.07 C ATOM 2152 CG GLN C 26 33.591 1.474 2.659 1.00 33.85 C ATOM 2153 CD GLN C 26 32.261 1.860 3.371 1.00 36.91 C ATOM 2154 OE1 GLN C 26 31.211 1.220 3.122 1.00 39.63 O ATOM 2155 NE2 GLN C 26 32.291 2.862 4.257 1.00 38.33 N ATOM 2156 HE22 GLN C 26 33.180 3.370 4.438 1.00 0.00 H ATOM 2157 HE21 GLN C 26 31.425 3.133 4.765 1.00 0.00 H ATOM 2158 H GLN C 26 33.366 2.728 0.125 1.00 0.00 H ATOM 2159 N CYS C 27 35.974 4.383 0.052 1.00 23.71 N ATOM 2160 CA CYS C 27 37.177 5.059 -0.427 1.00 22.06 C ATOM 2161 C CYS C 27 37.080 5.709 -1.814 1.00 22.04 C ATOM 2162 O CYS C 27 37.991 6.403 -2.220 1.00 24.09 O ATOM 2163 CB CYS C 27 38.332 4.062 -0.426 1.00 19.80 C ATOM 2164 SG CYS C 27 38.240 2.870 -1.776 1.00 17.39 S ATOM 2165 H CYS C 27 35.476 3.715 -0.570 1.00 0.00 H ATOM 2166 N GLY C 28 36.021 5.452 -2.556 1.00 21.79 N ATOM 2167 CA GLY C 28 35.835 6.037 -3.866 1.00 21.77 C ATOM 2168 C GLY C 28 36.400 5.319 -5.076 1.00 20.98 C ATOM 2169 O GLY C 28 36.273 5.821 -6.197 1.00 21.09 O ATOM 2170 H GLY C 28 35.294 4.806 -2.187 1.00 0.00 H ATOM 2171 N GLN C 29 37.028 4.165 -4.867 1.00 19.94 N ATOM 2172 CA GLN C 29 37.522 3.344 -5.976 1.00 18.84 C ATOM 2173 C GLN C 29 36.450 3.141 -7.039 1.00 18.95 C ATOM 2174 O GLN C 29 35.346 2.760 -6.731 1.00 18.75 O ATOM 2175 CB GLN C 29 37.964 1.969 -5.452 1.00 18.59 C ATOM 2176 CG GLN C 29 38.345 0.912 -6.513 1.00 18.42 C ATOM 2177 CD GLN C 29 39.806 0.893 -6.836 1.00 19.38 C ATOM 2178 OE1 GLN C 29 40.377 1.935 -7.045 1.00 21.36 O ATOM 2179 NE2 GLN C 29 40.434 -0.268 -6.838 1.00 20.23 N ATOM 2180 HE22 GLN C 29 39.906 -1.145 -6.653 1.00 0.00 H ATOM 2181 HE21 GLN C 29 41.456 -0.306 -7.024 1.00 0.00 H ATOM 2182 H GLN C 29 37.172 3.837 -3.891 1.00 0.00 H ATOM 2183 N THR C 30 36.818 3.381 -8.289 1.00 19.32 N ATOM 2184 CA THR C 30 35.889 3.210 -9.403 1.00 20.32 C ATOM 2185 C THR C 30 35.670 1.719 -9.576 1.00 20.05 C ATOM 2186 O THR C 30 36.646 0.944 -9.633 1.00 19.67 O ATOM 2187 CB THR C 30 36.496 3.765 -10.705 1.00 21.36 C ATOM 2188 OG1 THR C 30 36.861 5.140 -10.508 1.00 23.94 O ATOM 2189 CG2 THR C 30 35.507 3.618 -11.854 1.00 22.54 C ATOM 2190 HG1 THR C 30 37.252 5.500 -11.344 1.00 0.00 H ATOM 2191 H THR C 30 37.790 3.698 -8.481 1.00 0.00 H ATOM 2192 N ILE C 31 34.406 1.298 -9.650 1.00 19.85 N ATOM 2193 CA ILE C 31 34.083 -0.139 -9.778 1.00 20.03 C ATOM 2194 C ILE C 31 33.350 -0.482 -11.084 1.00 21.06 C ATOM 2195 O ILE C 31 33.739 -1.458 -11.772 1.00 20.54 O ATOM 2196 CB ILE C 31 33.231 -0.644 -8.597 1.00 20.13 C ATOM 2197 CG1 ILE C 31 33.907 -0.347 -7.241 1.00 20.39 C ATOM 2198 CG2 ILE C 31 32.917 -2.131 -8.739 1.00 20.00 C ATOM 2199 CD1 ILE C 31 35.225 -1.082 -7.026 1.00 20.11 C ATOM 2200 H ILE C 31 33.634 1.994 -9.617 1.00 0.00 H ATOM 2201 N SER C 32 32.270 0.239 -11.410 1.00 21.64 N ATOM 2202 CA SER C 32 31.537 -0.085 -12.634 1.00 22.64 C ATOM 2203 C SER C 32 30.758 1.117 -13.164 1.00 23.96 C ATOM 2204 O SER C 32 30.885 2.243 -12.657 1.00 22.87 O ATOM 2205 CB SER C 32 30.630 -1.292 -12.413 1.00 22.81 C ATOM 2206 OG SER C 32 30.272 -1.866 -13.679 1.00 24.47 O ATOM 2207 HG SER C 32 31.092 -2.153 -14.153 1.00 0.00 H ATOM 2208 H SER C 32 31.956 1.021 -10.800 1.00 0.00 H ATOM 2209 N ARG C 33 30.038 0.865 -14.272 1.00 26.35 N ATOM 2210 CA ARG C 33 29.259 1.918 -14.910 1.00 29.71 C ATOM 2211 C ARG C 33 27.946 1.403 -15.417 1.00 30.09 C ATOM 2212 O ARG C 33 27.775 0.249 -15.688 1.00 28.53 O ATOM 2213 CB ARG C 33 29.945 2.542 -16.117 1.00 32.80 C ATOM 2214 CG ARG C 33 30.429 1.573 -17.133 1.00 34.79 C ATOM 2215 CD ARG C 33 30.823 2.193 -18.472 1.00 37.86 C ATOM 2216 NE ARG C 33 31.974 3.088 -18.393 1.00 40.17 N ATOM 2217 CZ ARG C 33 32.387 3.888 -19.382 1.00 42.30 C ATOM 2218 NH1 ARG C 33 31.749 3.938 -20.555 1.00 44.15 N ATOM 2219 NH2 ARG C 33 33.457 4.655 -19.201 1.00 43.86 N ATOM 2220 HE ARG C 33 32.512 3.105 -17.503 1.00 0.00 H ATOM 2221 HH12 ARG C 33 32.092 4.569 -21.307 1.00 0.00 H ATOM 2222 HH11 ARG C 33 30.910 3.346 -20.716 1.00 0.00 H ATOM 2223 HH22 ARG C 33 33.784 5.280 -19.965 1.00 0.00 H ATOM 2224 HH21 ARG C 33 33.967 4.631 -18.295 1.00 0.00 H ATOM 2225 H ARG C 33 30.037 -0.093 -14.678 1.00 0.00 H ATOM 2226 N ARG C 34 27.035 2.349 -15.552 1.00 31.25 N ATOM 2227 CA ARG C 34 25.676 2.099 -15.998 1.00 33.98 C ATOM 2228 C ARG C 34 25.633 1.429 -17.352 1.00 33.45 C ATOM 2229 O ARG C 34 24.732 0.623 -17.574 1.00 32.71 O ATOM 2230 CB ARG C 34 24.875 3.420 -16.028 1.00 36.60 C ATOM 2231 CG ARG C 34 23.432 3.205 -16.462 1.00 39.38 C ATOM 2232 CD ARG C 34 22.454 4.296 -16.087 1.00 42.06 C ATOM 2233 NE ARG C 34 22.293 4.425 -14.636 1.00 43.65 N ATOM 2234 CZ ARG C 34 21.481 3.702 -13.857 1.00 45.43 C ATOM 2235 NH1 ARG C 34 20.719 2.727 -14.348 1.00 47.33 N ATOM 2236 NH2 ARG C 34 21.447 3.955 -12.549 1.00 46.67 N ATOM 2237 HE ARG C 34 22.868 5.152 -14.165 1.00 0.00 H ATOM 2238 HH12 ARG C 34 20.098 2.183 -13.715 1.00 0.00 H ATOM 2239 HH11 ARG C 34 20.744 2.509 -15.365 1.00 0.00 H ATOM 2240 HH22 ARG C 34 20.821 3.402 -11.929 1.00 0.00 H ATOM 2241 HH21 ARG C 34 22.046 4.705 -12.149 1.00 0.00 H ATOM 2242 H ARG C 34 27.306 3.327 -15.326 1.00 0.00 H ATOM 2243 N ASP C 35 26.562 1.708 -18.261 1.00 34.07 N ATOM 2244 CA ASP C 35 26.593 0.983 -19.572 1.00 35.88 C ATOM 2245 C ASP C 35 26.660 -0.542 -19.392 1.00 34.18 C ATOM 2246 O ASP C 35 26.229 -1.288 -20.269 1.00 32.98 O ATOM 2247 CB ASP C 35 27.773 1.394 -20.440 1.00 38.63 C ATOM 2248 CG ASP C 35 27.638 2.792 -21.003 1.00 41.81 C ATOM 2249 OD1 ASP C 35 28.603 3.586 -20.852 1.00 45.16 O ATOM 2250 OD2 ASP C 35 26.580 3.091 -21.611 1.00 44.99 O ATOM 2251 H ASP C 35 27.275 2.438 -18.060 1.00 0.00 H ATOM 2252 N TRP C 36 27.226 -0.984 -18.266 1.00 32.38 N ATOM 2253 CA TRP C 36 27.424 -2.413 -18.010 1.00 32.24 C ATOM 2254 C TRP C 36 26.356 -3.016 -17.108 1.00 31.58 C ATOM 2255 O TRP C 36 26.393 -4.199 -16.783 1.00 31.04 O ATOM 2256 CB TRP C 36 28.823 -2.653 -17.398 1.00 33.31 C ATOM 2257 CG TRP C 36 29.962 -2.168 -18.255 1.00 34.94 C ATOM 2258 CD1 TRP C 36 29.951 -2.031 -19.609 1.00 36.67 C ATOM 2259 CD2 TRP C 36 31.257 -1.749 -17.828 1.00 36.62 C ATOM 2260 NE1 TRP C 36 31.148 -1.549 -20.053 1.00 37.26 N ATOM 2261 CE2 TRP C 36 31.980 -1.383 -18.983 1.00 37.55 C ATOM 2262 CE3 TRP C 36 31.896 -1.702 -16.587 1.00 37.33 C ATOM 2263 CZ2 TRP C 36 33.296 -0.925 -18.926 1.00 38.64 C ATOM 2264 CZ3 TRP C 36 33.202 -1.237 -16.530 1.00 37.60 C ATOM 2265 CH2 TRP C 36 33.889 -0.864 -17.694 1.00 38.14 C ATOM 2266 HE1 TRP C 36 31.387 -1.342 -21.044 1.00 0.00 H ATOM 2267 H TRP C 36 27.535 -0.295 -17.551 1.00 0.00 H ATOM 2268 N LEU C 37 25.367 -2.227 -16.724 1.00 31.91 N ATOM 2269 CA LEU C 37 24.407 -2.652 -15.716 1.00 33.55 C ATOM 2270 C LEU C 37 23.530 -3.609 -16.474 1.00 34.28 C ATOM 2271 O LEU C 37 23.306 -3.432 -17.680 1.00 35.83 O ATOM 2272 CB LEU C 37 23.623 -1.452 -15.167 1.00 34.76 C ATOM 2273 CG LEU C 37 22.730 -1.410 -13.923 1.00 35.67 C ATOM 2274 CD1 LEU C 37 23.186 -2.337 -12.819 1.00 35.24 C ATOM 2275 CD2 LEU C 37 22.642 0.022 -13.396 1.00 37.30 C ATOM 2276 H LEU C 37 25.273 -1.283 -17.151 1.00 0.00 H ATOM 2277 N LEU C 38 23.010 -4.603 -15.748 1.00 33.35 N ATOM 2278 CA LEU C 38 22.069 -5.556 -16.317 1.00 34.90 C ATOM 2279 C LEU C 38 20.663 -5.443 -15.693 1.00 34.87 C ATOM 2280 O LEU C 38 20.496 -5.766 -14.539 1.00 34.49 O ATOM 2281 CB LEU C 38 22.642 -6.925 -16.113 1.00 35.19 C ATOM 2282 CG LEU C 38 23.987 -7.245 -16.776 1.00 35.07 C ATOM 2283 CD1 LEU C 38 24.447 -8.630 -16.343 1.00 35.29 C ATOM 2284 CD2 LEU C 38 23.932 -7.174 -18.292 1.00 35.72 C ATOM 2285 H LEU C 38 23.285 -4.698 -14.750 1.00 0.00 H ATOM 2286 N PRO C 39 19.688 -4.913 -16.457 1.00 35.74 N ATOM 2287 CA PRO C 39 18.322 -4.792 -15.901 1.00 35.87 C ATOM 2288 C PRO C 39 17.553 -6.115 -15.939 1.00 35.55 C ATOM 2289 O PRO C 39 17.882 -6.912 -16.815 1.00 33.92 O ATOM 2290 CB PRO C 39 17.663 -3.806 -16.856 1.00 37.05 C ATOM 2291 CG PRO C 39 18.344 -4.029 -18.165 1.00 36.76 C ATOM 2292 CD PRO C 39 19.777 -4.334 -17.819 1.00 36.29 C ATOM 2293 N MET C 40 16.633 -6.390 -15.015 1.00 36.13 N ATOM 2294 CA MET C 40 15.660 -7.476 -15.205 1.00 35.60 C ATOM 2295 C MET C 40 14.364 -6.726 -15.352 1.00 35.80 C ATOM 2296 O MET C 40 13.838 -6.171 -14.425 1.00 34.44 O ATOM 2297 CB MET C 40 15.617 -8.463 -14.012 1.00 36.98 C ATOM 2298 CG MET C 40 14.775 -9.697 -14.209 1.00 38.13 C ATOM 2299 SD MET C 40 14.710 -10.652 -12.679 1.00 40.24 S ATOM 2300 CE MET C 40 16.336 -11.403 -12.755 1.00 39.81 C ATOM 2301 H MET C 40 16.603 -5.825 -14.142 1.00 0.00 H ATOM 2302 N GLY C 41 13.780 -6.818 -16.549 1.00 34.93 N ATOM 2303 CA GLY C 41 12.534 -6.097 -16.867 1.00 36.05 C ATOM 2304 C GLY C 41 12.698 -4.592 -16.631 1.00 37.21 C ATOM 2305 O GLY C 41 13.589 -3.948 -17.218 1.00 35.45 O ATOM 2306 H GLY C 41 14.217 -7.416 -17.279 1.00 0.00 H ATOM 2307 N GLY C 42 11.885 -4.053 -15.728 1.00 38.67 N ATOM 2308 CA GLY C 42 11.915 -2.620 -15.403 1.00 41.14 C ATOM 2309 C GLY C 42 12.780 -2.196 -14.224 1.00 43.09 C ATOM 2310 O GLY C 42 12.632 -1.058 -13.750 1.00 44.84 O ATOM 2311 H GLY C 42 11.205 -4.666 -15.235 1.00 0.00 H ATOM 2312 N ASP C 43 13.619 -3.085 -13.691 1.00 44.14 N ATOM 2313 CA ASP C 43 14.474 -2.705 -12.559 1.00 45.90 C ATOM 2314 C ASP C 43 15.937 -3.156 -12.732 1.00 47.16 C ATOM 2315 O ASP C 43 16.270 -4.349 -12.842 1.00 48.85 O ATOM 2316 CB ASP C 43 13.983 -3.325 -11.264 1.00 46.33 C ATOM 2317 CG ASP C 43 12.481 -3.508 -11.175 1.00 47.13 C ATOM 2318 OD1 ASP C 43 11.783 -2.530 -11.471 1.00 48.26 O ATOM 2319 OD2 ASP C 43 12.014 -4.610 -10.748 1.00 47.81 O ATOM 2320 H ASP C 43 13.668 -4.049 -14.078 1.00 0.00 H ATOM 2321 N HIS C 44 16.831 -2.184 -12.653 1.00 48.14 N ATOM 2322 CA HIS C 44 18.256 -2.511 -12.619 1.00 49.02 C ATOM 2323 C HIS C 44 18.658 -3.032 -11.224 1.00 48.75 C ATOM 2324 O HIS C 44 19.622 -3.770 -11.097 1.00 47.85 O ATOM 2325 CB HIS C 44 19.122 -1.314 -13.055 1.00 50.59 C ATOM 2326 CG HIS C 44 18.847 -0.818 -14.450 1.00 51.95 C ATOM 2327 ND1 HIS C 44 19.703 -1.037 -15.509 1.00 52.22 N ATOM 2328 CD2 HIS C 44 17.798 -0.123 -14.951 1.00 53.55 C ATOM 2329 CE1 HIS C 44 19.198 -0.488 -16.598 1.00 53.11 C ATOM 2330 NE2 HIS C 44 18.039 0.066 -16.289 1.00 53.61 N ATOM 2331 H HIS C 44 16.522 -1.192 -12.615 1.00 0.00 H ATOM 2332 N GLU C 45 17.898 -2.665 -10.190 1.00 49.30 N ATOM 2333 CA GLU C 45 18.201 -3.074 -8.798 1.00 50.39 C ATOM 2334 C GLU C 45 17.351 -4.284 -8.435 1.00 50.75 C ATOM 2335 O GLU C 45 16.126 -4.316 -8.692 1.00 49.25 O ATOM 2336 CB GLU C 45 17.804 -1.966 -7.836 1.00 51.97 C ATOM 2337 CG GLU C 45 18.732 -0.803 -7.752 1.00 52.90 C ATOM 2338 CD GLU C 45 18.149 0.391 -7.021 1.00 54.01 C ATOM 2339 OE1 GLU C 45 17.798 0.324 -5.806 1.00 54.94 O ATOM 2340 OE2 GLU C 45 18.056 1.444 -7.675 1.00 55.78 O ATOM 2341 H GLU C 45 17.063 -2.071 -10.367 1.00 0.00 H ATOM 2342 N HIS C 46 17.986 -5.295 -7.838 1.00 51.74 N ATOM 2343 CA HIS C 46 17.288 -6.512 -7.411 1.00 54.11 C ATOM 2344 C HIS C 46 17.451 -6.733 -5.896 1.00 54.61 C ATOM 2345 O HIS C 46 18.554 -6.706 -5.341 1.00 53.43 O ATOM 2346 CB HIS C 46 17.700 -7.677 -8.295 1.00 55.32 C ATOM 2347 CG HIS C 46 17.940 -7.261 -9.711 1.00 56.30 C ATOM 2348 ND1 HIS C 46 19.187 -7.335 -10.284 1.00 55.51 N ATOM 2349 CD2 HIS C 46 17.130 -6.705 -10.652 1.00 57.72 C ATOM 2350 CE1 HIS C 46 19.125 -6.877 -11.522 1.00 56.87 C ATOM 2351 NE2 HIS C 46 17.897 -6.457 -11.753 1.00 57.64 N ATOM 2352 H HIS C 46 19.009 -5.217 -7.670 1.00 0.00 H ATOM 2353 N VAL C 47 16.284 -6.809 -5.268 1.00 55.15 N ATOM 2354 CA VAL C 47 16.136 -6.690 -3.831 1.00 56.33 C ATOM 2355 C VAL C 47 16.100 -8.099 -3.254 1.00 55.84 C ATOM 2356 O VAL C 47 15.270 -8.926 -3.633 1.00 55.59 O ATOM 2357 CB VAL C 47 14.836 -5.930 -3.455 1.00 58.60 C ATOM 2358 CG1 VAL C 47 14.785 -5.723 -1.955 1.00 60.32 C ATOM 2359 CG2 VAL C 47 14.728 -4.595 -4.183 1.00 59.37 C ATOM 2360 H VAL C 47 15.428 -6.962 -5.839 1.00 0.00 H ATOM 2361 N VAL C 48 17.008 -8.353 -2.320 1.00 55.06 N ATOM 2362 CA VAL C 48 17.286 -9.697 -1.817 1.00 55.66 C ATOM 2363 C VAL C 48 17.502 -9.674 -0.313 1.00 57.18 C ATOM 2364 O VAL C 48 17.693 -8.601 0.268 1.00 55.89 O ATOM 2365 CB VAL C 48 18.548 -10.279 -2.490 1.00 54.62 C ATOM 2366 CG1 VAL C 48 18.252 -10.536 -3.965 1.00 53.27 C ATOM 2367 CG2 VAL C 48 19.741 -9.343 -2.338 1.00 53.88 C ATOM 2368 H VAL C 48 17.548 -7.556 -1.926 1.00 0.00 H ATOM 2369 N PHE C 49 17.480 -10.846 0.321 1.00 59.59 N ATOM 2370 CA PHE C 49 17.862 -10.919 1.724 1.00 61.72 C ATOM 2371 C PHE C 49 18.900 -12.017 1.948 1.00 61.45 C ATOM 2372 O PHE C 49 18.843 -13.061 1.323 1.00 59.96 O ATOM 2373 CB PHE C 49 16.659 -11.130 2.643 1.00 64.81 C ATOM 2374 CG PHE C 49 15.428 -10.362 2.286 1.00 66.66 C ATOM 2375 CD1 PHE C 49 14.515 -10.864 1.354 1.00 67.38 C ATOM 2376 CD2 PHE C 49 15.158 -9.161 2.909 1.00 68.53 C ATOM 2377 CE1 PHE C 49 13.375 -10.153 1.035 1.00 68.65 C ATOM 2378 CE2 PHE C 49 13.998 -8.447 2.607 1.00 70.00 C ATOM 2379 CZ PHE C 49 13.106 -8.942 1.662 1.00 69.80 C ATOM 2380 H PHE C 49 17.190 -11.707 -0.186 1.00 0.00 H ATOM 2381 N ASN C 50 19.820 -11.779 2.867 1.00 62.26 N ATOM 2382 CA ASN C 50 20.764 -12.829 3.286 1.00 62.64 C ATOM 2383 C ASN C 50 20.083 -13.832 4.239 1.00 65.10 C ATOM 2384 O ASN C 50 18.896 -13.665 4.557 1.00 64.61 O ATOM 2385 CB ASN C 50 22.033 -12.196 3.823 1.00 61.89 C ATOM 2386 CG ASN C 50 21.858 -11.501 5.180 1.00 62.90 C ATOM 2387 OD1 ASN C 50 20.820 -11.625 5.852 1.00 64.03 O ATOM 2388 ND2 ASN C 50 22.886 -10.745 5.560 1.00 61.65 N ATOM 2389 HD22 ASN C 50 23.732 -10.677 4.958 1.00 0.00 H ATOM 2390 HD21 ASN C 50 22.843 -10.223 6.458 1.00 0.00 H ATOM 2391 H ASN C 50 19.878 -10.836 3.301 1.00 0.00 H ATOM 2392 N PRO C 51 20.790 -14.882 4.676 1.00 67.47 N ATOM 2393 CA PRO C 51 20.149 -15.859 5.566 1.00 69.42 C ATOM 2394 C PRO C 51 19.672 -15.302 6.910 1.00 71.47 C ATOM 2395 O PRO C 51 18.778 -15.887 7.520 1.00 73.21 O ATOM 2396 CB PRO C 51 21.242 -16.905 5.775 1.00 69.79 C ATOM 2397 CG PRO C 51 22.124 -16.783 4.585 1.00 68.21 C ATOM 2398 CD PRO C 51 22.087 -15.363 4.169 1.00 66.72 C ATOM 2399 N ALA C 52 20.254 -14.183 7.347 1.00 71.32 N ATOM 2400 CA ALA C 52 19.811 -13.497 8.554 1.00 73.74 C ATOM 2401 C ALA C 52 18.603 -12.601 8.312 1.00 74.99 C ATOM 2402 O ALA C 52 18.125 -11.966 9.247 1.00 76.09 O ATOM 2403 CB ALA C 52 20.948 -12.685 9.141 1.00 73.81 C ATOM 2404 H ALA C 52 21.051 -13.787 6.808 1.00 0.00 H ATOM 2405 N GLY C 53 18.113 -12.544 7.072 1.00 74.45 N ATOM 2406 CA GLY C 53 16.954 -11.728 6.719 1.00 74.80 C ATOM 2407 C GLY C 53 17.232 -10.244 6.523 1.00 74.16 C ATOM 2408 O GLY C 53 16.297 -9.446 6.389 1.00 74.97 O ATOM 2409 H GLY C 53 18.575 -13.103 6.327 1.00 0.00 H ATOM 2410 N MET C 54 18.509 -9.863 6.472 1.00 72.95 N ATOM 2411 CA MET C 54 18.866 -8.470 6.187 1.00 72.18 C ATOM 2412 C MET C 54 18.691 -8.212 4.693 1.00 70.88 C ATOM 2413 O MET C 54 19.102 -9.045 3.887 1.00 70.31 O ATOM 2414 CB MET C 54 20.305 -8.187 6.602 1.00 70.67 C ATOM 2415 H MET C 54 19.261 -10.563 6.636 1.00 0.00 H ATOM 2416 N ILE C 55 18.038 -7.104 4.350 1.00 70.61 N ATOM 2417 CA ILE C 55 17.678 -6.745 2.978 1.00 69.28 C ATOM 2418 C ILE C 55 18.782 -5.931 2.303 1.00 65.95 C ATOM 2419 O ILE C 55 19.379 -5.069 2.930 1.00 64.62 O ATOM 2420 CB ILE C 55 16.364 -5.926 2.959 1.00 72.15 C ATOM 2421 CG1 ILE C 55 15.789 -5.845 1.545 1.00 72.54 C ATOM 2422 CG2 ILE C 55 16.545 -4.506 3.530 1.00 72.84 C ATOM 2423 CD1 ILE C 55 14.383 -5.278 1.485 1.00 74.71 C ATOM 2424 H ILE C 55 17.765 -6.448 5.110 1.00 0.00 H ATOM 2425 N PHE C 56 19.058 -6.248 1.043 1.00 62.21 N ATOM 2426 CA PHE C 56 20.037 -5.525 0.235 1.00 59.57 C ATOM 2427 C PHE C 56 19.438 -5.225 -1.127 1.00 55.33 C ATOM 2428 O PHE C 56 18.650 -6.001 -1.663 1.00 54.77 O ATOM 2429 CB PHE C 56 21.297 -6.361 -0.015 1.00 60.51 C ATOM 2430 CG PHE C 56 22.002 -6.805 1.228 1.00 62.87 C ATOM 2431 CD1 PHE C 56 22.979 -6.011 1.820 1.00 63.37 C ATOM 2432 CD2 PHE C 56 21.730 -8.042 1.773 1.00 64.64 C ATOM 2433 CE1 PHE C 56 23.641 -6.436 2.964 1.00 64.92 C ATOM 2434 CE2 PHE C 56 22.382 -8.469 2.926 1.00 66.65 C ATOM 2435 CZ PHE C 56 23.340 -7.672 3.520 1.00 66.05 C ATOM 2436 H PHE C 56 18.553 -7.048 0.611 1.00 0.00 H ATOM 2437 N ARG C 57 19.871 -4.114 -1.707 1.00 51.42 N ATOM 2438 CA ARG C 57 19.655 -3.804 -3.095 1.00 47.85 C ATOM 2439 C ARG C 57 20.935 -4.130 -3.852 1.00 42.99 C ATOM 2440 O ARG C 57 21.976 -3.498 -3.638 1.00 43.86 O ATOM 2441 CB ARG C 57 19.266 -2.331 -3.232 1.00 49.17 C ATOM 2442 CG ARG C 57 17.753 -2.163 -3.119 1.00 51.77 C ATOM 2443 CD ARG C 57 17.277 -0.807 -2.607 1.00 53.15 C ATOM 2444 NE ARG C 57 15.865 -0.873 -2.217 1.00 55.91 N ATOM 2445 CZ ARG C 57 15.391 -0.946 -0.968 1.00 58.30 C ATOM 2446 NH1 ARG C 57 16.197 -0.940 0.096 1.00 59.65 N ATOM 2447 NH2 ARG C 57 14.076 -1.016 -0.781 1.00 59.70 N ATOM 2448 HE ARG C 57 15.164 -0.862 -2.985 1.00 0.00 H ATOM 2449 HH12 ARG C 57 15.795 -0.998 1.053 1.00 0.00 H ATOM 2450 HH11 ARG C 57 17.227 -0.877 -0.032 1.00 0.00 H ATOM 2451 HH22 ARG C 57 13.690 -1.073 0.183 1.00 0.00 H ATOM 2452 HH21 ARG C 57 13.434 -1.013 -1.599 1.00 0.00 H ATOM 2453 H ARG C 57 20.396 -3.429 -1.126 1.00 0.00 H ATOM 2454 N VAL C 58 20.847 -5.138 -4.704 1.00 38.23 N ATOM 2455 CA VAL C 58 21.974 -5.591 -5.513 1.00 35.58 C ATOM 2456 C VAL C 58 21.846 -5.028 -6.923 1.00 33.54 C ATOM 2457 O VAL C 58 20.741 -5.061 -7.511 1.00 32.43 O ATOM 2458 CB VAL C 58 22.018 -7.131 -5.541 1.00 35.60 C ATOM 2459 CG1 VAL C 58 23.047 -7.661 -6.518 1.00 34.74 C ATOM 2460 CG2 VAL C 58 22.372 -7.655 -4.161 1.00 36.06 C ATOM 2461 H VAL C 58 19.935 -5.629 -4.802 1.00 0.00 H ATOM 2462 N TRP C 59 22.952 -4.474 -7.431 1.00 31.50 N ATOM 2463 CA TRP C 59 23.039 -4.092 -8.830 1.00 30.91 C ATOM 2464 C TRP C 59 23.935 -5.085 -9.562 1.00 29.65 C ATOM 2465 O TRP C 59 25.041 -5.367 -9.109 1.00 30.21 O ATOM 2466 CB TRP C 59 23.657 -2.718 -8.958 1.00 31.24 C ATOM 2467 CG TRP C 59 22.795 -1.504 -8.756 1.00 33.20 C ATOM 2468 CD1 TRP C 59 21.595 -1.216 -9.365 1.00 34.48 C ATOM 2469 CD2 TRP C 59 23.172 -0.306 -8.051 1.00 34.52 C ATOM 2470 NE1 TRP C 59 21.183 0.069 -9.024 1.00 35.71 N ATOM 2471 CE2 TRP C 59 22.129 0.637 -8.216 1.00 35.70 C ATOM 2472 CE3 TRP C 59 24.271 0.036 -7.265 1.00 35.06 C ATOM 2473 CZ2 TRP C 59 22.157 1.892 -7.622 1.00 36.88 C ATOM 2474 CZ3 TRP C 59 24.303 1.279 -6.666 1.00 35.94 C ATOM 2475 CH2 TRP C 59 23.249 2.198 -6.849 1.00 36.32 C ATOM 2476 HE1 TRP C 59 20.300 0.523 -9.333 1.00 0.00 H ATOM 2477 H TRP C 59 23.770 -4.313 -6.809 1.00 0.00 H ATOM 2478 N CYS C 60 23.428 -5.649 -10.655 1.00 28.70 N ATOM 2479 CA CYS C 60 24.209 -6.581 -11.467 1.00 27.25 C ATOM 2480 C CYS C 60 24.885 -5.860 -12.614 1.00 26.30 C ATOM 2481 O CYS C 60 24.247 -5.090 -13.299 1.00 26.43 O ATOM 2482 CB CYS C 60 23.323 -7.697 -12.012 1.00 27.50 C ATOM 2483 SG CYS C 60 22.595 -8.674 -10.684 1.00 29.11 S ATOM 2484 H CYS C 60 22.454 -5.422 -10.938 1.00 0.00 H ATOM 2485 N PHE C 61 26.176 -6.138 -12.800 1.00 25.15 N ATOM 2486 CA PHE C 61 26.979 -5.543 -13.881 1.00 24.80 C ATOM 2487 C PHE C 61 27.704 -6.637 -14.645 1.00 25.00 C ATOM 2488 O PHE C 61 28.188 -7.600 -14.055 1.00 25.65 O ATOM 2489 CB PHE C 61 28.049 -4.596 -13.333 1.00 24.31 C ATOM 2490 CG PHE C 61 27.522 -3.446 -12.519 1.00 24.54 C ATOM 2491 CD1 PHE C 61 27.092 -2.288 -13.135 1.00 24.94 C ATOM 2492 CD2 PHE C 61 27.462 -3.523 -11.140 1.00 25.25 C ATOM 2493 CE1 PHE C 61 26.642 -1.210 -12.384 1.00 25.71 C ATOM 2494 CE2 PHE C 61 26.990 -2.461 -10.380 1.00 25.60 C ATOM 2495 CZ PHE C 61 26.580 -1.299 -11.004 1.00 25.72 C ATOM 2496 H PHE C 61 26.637 -6.807 -12.151 1.00 0.00 H ATOM 2497 N SER C 62 27.755 -6.511 -15.954 1.00 24.23 N ATOM 2498 CA SER C 62 28.480 -7.476 -16.775 1.00 24.63 C ATOM 2499 C SER C 62 29.996 -7.431 -16.564 1.00 24.86 C ATOM 2500 O SER C 62 30.677 -8.462 -16.675 1.00 25.00 O ATOM 2501 CB SER C 62 28.175 -7.229 -18.246 1.00 25.49 C ATOM 2502 OG SER C 62 28.610 -5.932 -18.598 1.00 26.97 O ATOM 2503 HG SER C 62 28.135 -5.264 -18.043 1.00 0.00 H ATOM 2504 H SER C 62 27.271 -5.712 -16.411 1.00 0.00 H ATOM 2505 N LEU C 63 30.500 -6.234 -16.295 1.00 23.26 N ATOM 2506 CA LEU C 63 31.926 -6.005 -16.142 1.00 23.06 C ATOM 2507 C LEU C 63 32.175 -5.113 -14.950 1.00 22.20 C ATOM 2508 O LEU C 63 31.305 -4.322 -14.607 1.00 21.83 O ATOM 2509 CB LEU C 63 32.490 -5.346 -17.381 1.00 23.25 C ATOM 2510 CG LEU C 63 32.414 -6.112 -18.704 1.00 24.39 C ATOM 2511 CD1 LEU C 63 32.687 -5.186 -19.876 1.00 25.13 C ATOM 2512 CD2 LEU C 63 33.446 -7.231 -18.663 1.00 24.64 C ATOM 2513 H LEU C 63 29.850 -5.429 -16.190 1.00 0.00 H ATOM 2514 N ALA C 64 33.339 -5.266 -14.323 1.00 21.38 N ATOM 2515 CA ALA C 64 33.734 -4.333 -13.248 1.00 20.78 C ATOM 2516 C ALA C 64 35.234 -4.217 -13.237 1.00 20.87 C ATOM 2517 O ALA C 64 35.941 -5.008 -13.885 1.00 21.24 O ATOM 2518 CB ALA C 64 33.233 -4.851 -11.916 1.00 21.29 C ATOM 2519 H ALA C 64 33.973 -6.046 -14.591 1.00 0.00 H ATOM 2520 N GLN C 65 35.711 -3.248 -12.479 1.00 20.54 N ATOM 2521 CA GLN C 65 37.151 -3.095 -12.270 1.00 21.25 C ATOM 2522 C GLN C 65 37.394 -2.753 -10.824 1.00 20.12 C ATOM 2523 O GLN C 65 36.464 -2.449 -10.079 1.00 19.25 O ATOM 2524 CB GLN C 65 37.694 -1.983 -13.139 1.00 22.99 C ATOM 2525 CG GLN C 65 37.020 -0.646 -12.901 1.00 24.65 C ATOM 2526 CD GLN C 65 37.581 0.421 -13.810 1.00 26.93 C ATOM 2527 OE1 GLN C 65 38.433 1.214 -13.398 1.00 29.27 O ATOM 2528 NE2 GLN C 65 37.132 0.430 -15.065 1.00 29.16 N ATOM 2529 HE22 GLN C 65 36.413 -0.259 -15.365 1.00 0.00 H ATOM 2530 HE21 GLN C 65 37.501 1.126 -15.744 1.00 0.00 H ATOM 2531 H GLN C 65 35.054 -2.583 -12.023 1.00 0.00 H ATOM 2532 N GLY C 66 38.663 -2.822 -10.441 1.00 19.15 N ATOM 2533 CA GLY C 66 39.048 -2.305 -9.137 1.00 18.83 C ATOM 2534 C GLY C 66 38.680 -3.162 -7.942 1.00 18.85 C ATOM 2535 O GLY C 66 38.841 -2.729 -6.799 1.00 17.88 O ATOM 2536 H GLY C 66 39.377 -3.243 -11.069 1.00 0.00 H ATOM 2537 N LEU C 67 38.234 -4.394 -8.194 1.00 19.29 N ATOM 2538 CA LEU C 67 37.924 -5.319 -7.118 1.00 20.23 C ATOM 2539 C LEU C 67 39.090 -6.268 -6.923 1.00 21.76 C ATOM 2540 O LEU C 67 40.016 -6.308 -7.726 1.00 21.00 O ATOM 2541 CB LEU C 67 36.667 -6.134 -7.457 1.00 20.52 C ATOM 2542 CG LEU C 67 35.408 -5.294 -7.674 1.00 20.15 C ATOM 2543 CD1 LEU C 67 34.368 -6.019 -8.547 1.00 20.60 C ATOM 2544 CD2 LEU C 67 34.843 -4.926 -6.311 1.00 20.58 C ATOM 2545 H LEU C 67 38.106 -4.698 -9.180 1.00 0.00 H ATOM 2546 N ARG C 68 39.030 -7.041 -5.842 1.00 24.31 N ATOM 2547 CA ARG C 68 39.840 -8.234 -5.653 1.00 26.94 C ATOM 2548 C ARG C 68 38.885 -9.371 -5.350 1.00 27.55 C ATOM 2549 O ARG C 68 38.127 -9.270 -4.387 1.00 25.81 O ATOM 2550 CB ARG C 68 40.769 -8.048 -4.463 1.00 30.17 C ATOM 2551 CG ARG C 68 42.034 -7.281 -4.721 1.00 33.56 C ATOM 2552 CD ARG C 68 42.842 -7.081 -3.463 1.00 36.56 C ATOM 2553 NE ARG C 68 42.962 -8.313 -2.680 1.00 39.46 N ATOM 2554 CZ ARG C 68 42.652 -8.470 -1.387 1.00 41.43 C ATOM 2555 NH1 ARG C 68 42.205 -7.470 -0.622 1.00 41.27 N ATOM 2556 NH2 ARG C 68 42.809 -9.670 -0.828 1.00 43.02 N ATOM 2557 HE ARG C 68 43.325 -9.150 -3.179 1.00 0.00 H ATOM 2558 HH12 ARG C 68 41.977 -7.642 0.378 1.00 0.00 H ATOM 2559 HH11 ARG C 68 42.085 -6.520 -1.027 1.00 0.00 H ATOM 2560 HH22 ARG C 68 42.573 -9.811 0.175 1.00 0.00 H ATOM 2561 HH21 ARG C 68 43.167 -10.465 -1.395 1.00 0.00 H ATOM 2562 H ARG C 68 38.365 -6.777 -5.088 1.00 0.00 H ATOM 2563 N LEU C 69 38.909 -10.425 -6.161 1.00 27.64 N ATOM 2564 CA LEU C 69 38.026 -11.569 -5.946 1.00 30.16 C ATOM 2565 C LEU C 69 38.768 -12.600 -5.108 1.00 32.65 C ATOM 2566 O LEU C 69 39.914 -12.960 -5.474 1.00 33.54 O ATOM 2567 CB LEU C 69 37.578 -12.165 -7.282 1.00 29.85 C ATOM 2568 CG LEU C 69 37.015 -11.147 -8.282 1.00 29.14 C ATOM 2569 CD1 LEU C 69 36.641 -11.853 -9.593 1.00 29.53 C ATOM 2570 CD2 LEU C 69 35.821 -10.397 -7.682 1.00 28.66 C ATOM 2571 H LEU C 69 39.570 -10.435 -6.964 1.00 0.00 H ATOM 2572 N ILE C 70 38.167 -13.026 -3.989 1.00 33.90 N ATOM 2573 CA ILE C 70 38.885 -13.860 -3.004 1.00 36.69 C ATOM 2574 C ILE C 70 38.299 -15.255 -2.926 1.00 38.93 C ATOM 2575 O ILE C 70 37.096 -15.391 -2.823 1.00 38.93 O ATOM 2576 CB ILE C 70 39.036 -13.214 -1.577 1.00 37.31 C ATOM 2577 CG1 ILE C 70 37.699 -13.015 -0.867 1.00 38.05 C ATOM 2578 CG2 ILE C 70 39.827 -11.910 -1.709 1.00 37.00 C ATOM 2579 CD1 ILE C 70 37.772 -12.372 0.510 1.00 38.73 C ATOM 2580 H ILE C 70 37.176 -12.765 -3.811 1.00 0.00 H ATOM 2581 N GLY C 71 39.142 -16.279 -2.918 1.00 42.46 N ATOM 2582 CA GLY C 71 38.709 -17.641 -2.551 1.00 44.91 C ATOM 2583 C GLY C 71 37.980 -18.392 -3.645 1.00 46.57 C ATOM 2584 O GLY C 71 38.006 -17.973 -4.796 1.00 46.51 O ATOM 2585 H GLY C 71 40.136 -16.117 -3.178 1.00 0.00 H ATOM 2586 N ALA C 72 37.384 -19.520 -3.280 1.00 49.21 N ATOM 2587 CA ALA C 72 36.779 -20.434 -4.244 1.00 50.43 C ATOM 2588 C ALA C 72 35.275 -20.204 -4.322 1.00 50.15 C ATOM 2589 O ALA C 72 34.686 -19.743 -3.354 1.00 49.84 O ATOM 2590 CB ALA C 72 37.057 -21.878 -3.858 1.00 52.99 C ATOM 2591 H ALA C 72 37.347 -19.762 -2.269 1.00 0.00 H ATOM 2592 N PRO C 73 34.654 -20.539 -5.467 1.00 50.34 N ATOM 2593 CA PRO C 73 33.219 -20.263 -5.607 1.00 49.63 C ATOM 2594 C PRO C 73 32.351 -21.098 -4.685 1.00 50.36 C ATOM 2595 O PRO C 73 32.709 -22.213 -4.347 1.00 50.86 O ATOM 2596 CB PRO C 73 32.928 -20.616 -7.069 1.00 49.74 C ATOM 2597 CG PRO C 73 34.244 -20.625 -7.751 1.00 50.01 C ATOM 2598 CD PRO C 73 35.219 -21.087 -6.715 1.00 51.07 C ATOM 2599 N SER C 74 31.213 -20.544 -4.290 1.00 49.50 N ATOM 2600 CA SER C 74 30.242 -21.246 -3.455 1.00 49.76 C ATOM 2601 C SER C 74 28.859 -21.079 -4.066 1.00 48.75 C ATOM 2602 O SER C 74 28.495 -19.995 -4.492 1.00 46.17 O ATOM 2603 CB SER C 74 30.248 -20.673 -2.041 1.00 49.92 C ATOM 2604 OG SER C 74 29.250 -21.296 -1.242 1.00 51.32 O ATOM 2605 HG SER C 74 29.271 -20.911 -0.330 1.00 0.00 H ATOM 2606 H SER C 74 31.003 -19.570 -4.587 1.00 0.00 H ATOM 2607 N GLY C 75 28.069 -22.151 -4.056 1.00 48.89 N ATOM 2608 CA GLY C 75 26.665 -22.086 -4.427 1.00 48.99 C ATOM 2609 C GLY C 75 25.715 -21.738 -3.273 1.00 48.96 C ATOM 2610 O GLY C 75 24.523 -21.526 -3.504 1.00 48.86 O ATOM 2611 H GLY C 75 28.471 -23.067 -3.773 1.00 0.00 H ATOM 2612 N GLU C 76 26.235 -21.697 -2.048 1.00 49.26 N ATOM 2613 CA GLU C 76 25.417 -21.553 -0.843 1.00 49.81 C ATOM 2614 C GLU C 76 24.611 -20.263 -0.851 1.00 48.20 C ATOM 2615 O GLU C 76 25.182 -19.197 -1.022 1.00 47.05 O ATOM 2616 CB GLU C 76 26.299 -21.567 0.415 1.00 50.69 C ATOM 2617 H GLU C 76 27.267 -21.770 -1.943 1.00 0.00 H ATOM 2618 N PHE C 77 23.292 -20.363 -0.685 1.00 47.56 N ATOM 2619 CA PHE C 77 22.405 -19.200 -0.594 1.00 46.63 C ATOM 2620 C PHE C 77 22.479 -18.256 -1.791 1.00 43.74 C ATOM 2621 O PHE C 77 22.122 -17.093 -1.660 1.00 42.02 O ATOM 2622 CB PHE C 77 22.689 -18.385 0.682 1.00 48.06 C ATOM 2623 CG PHE C 77 22.722 -19.198 1.925 1.00 50.42 C ATOM 2624 CD1 PHE C 77 21.559 -19.777 2.403 1.00 52.59 C ATOM 2625 CD2 PHE C 77 23.911 -19.395 2.609 1.00 51.24 C ATOM 2626 CE1 PHE C 77 21.567 -20.513 3.582 1.00 54.53 C ATOM 2627 CE2 PHE C 77 23.927 -20.141 3.778 1.00 52.97 C ATOM 2628 CZ PHE C 77 22.758 -20.699 4.261 1.00 54.55 C ATOM 2629 H PHE C 77 22.872 -21.312 -0.617 1.00 0.00 H ATOM 2630 N SER C 78 22.904 -18.735 -2.956 1.00 42.12 N ATOM 2631 CA SER C 78 23.064 -17.843 -4.093 1.00 40.42 C ATOM 2632 C SER C 78 21.715 -17.227 -4.452 1.00 40.21 C ATOM 2633 O SER C 78 20.699 -17.939 -4.587 1.00 40.22 O ATOM 2634 CB SER C 78 23.591 -18.584 -5.311 1.00 39.91 C ATOM 2635 OG SER C 78 23.733 -17.664 -6.367 1.00 39.18 O ATOM 2636 HG SER C 78 24.076 -18.133 -7.168 1.00 0.00 H ATOM 2637 H SER C 78 23.122 -19.747 -3.054 1.00 0.00 H ATOM 2638 N TRP C 79 21.708 -15.906 -4.643 1.00 39.53 N ATOM 2639 CA TRP C 79 20.488 -15.219 -5.050 1.00 39.29 C ATOM 2640 C TRP C 79 20.138 -15.405 -6.523 1.00 39.14 C ATOM 2641 O TRP C 79 19.079 -14.955 -6.977 1.00 38.95 O ATOM 2642 CB TRP C 79 20.615 -13.736 -4.739 1.00 38.35 C ATOM 2643 CG TRP C 79 20.673 -13.419 -3.306 1.00 38.47 C ATOM 2644 CD1 TRP C 79 19.865 -13.920 -2.336 1.00 39.24 C ATOM 2645 CD2 TRP C 79 21.521 -12.465 -2.680 1.00 37.77 C ATOM 2646 NE1 TRP C 79 20.171 -13.350 -1.132 1.00 39.31 N ATOM 2647 CE2 TRP C 79 21.181 -12.445 -1.309 1.00 38.79 C ATOM 2648 CE3 TRP C 79 22.513 -11.593 -3.145 1.00 36.63 C ATOM 2649 CZ2 TRP C 79 21.816 -11.612 -0.389 1.00 38.86 C ATOM 2650 CZ3 TRP C 79 23.163 -10.774 -2.228 1.00 37.04 C ATOM 2651 CH2 TRP C 79 22.822 -10.791 -0.866 1.00 37.58 C ATOM 2652 HE1 TRP C 79 19.710 -13.569 -0.226 1.00 0.00 H ATOM 2653 H TRP C 79 22.582 -15.361 -4.500 1.00 0.00 H ATOM 2654 N PHE C 80 21.030 -16.032 -7.284 1.00 39.46 N ATOM 2655 CA PHE C 80 20.848 -16.177 -8.727 1.00 39.81 C ATOM 2656 C PHE C 80 21.010 -17.660 -9.026 1.00 41.60 C ATOM 2657 O PHE C 80 22.109 -18.212 -8.926 1.00 41.14 O ATOM 2658 CB PHE C 80 21.846 -15.288 -9.483 1.00 38.13 C ATOM 2659 CG PHE C 80 21.727 -13.830 -9.128 1.00 37.56 C ATOM 2660 CD1 PHE C 80 20.785 -13.017 -9.750 1.00 37.23 C ATOM 2661 CD2 PHE C 80 22.543 -13.269 -8.135 1.00 36.76 C ATOM 2662 CE1 PHE C 80 20.627 -11.703 -9.364 1.00 37.17 C ATOM 2663 CE2 PHE C 80 22.429 -11.943 -7.785 1.00 36.61 C ATOM 2664 CZ PHE C 80 21.457 -11.161 -8.387 1.00 36.57 C ATOM 2665 H PHE C 80 21.882 -16.431 -6.840 1.00 0.00 H ATOM 2666 N LYS C 81 19.898 -18.306 -9.342 1.00 44.15 N ATOM 2667 CA LYS C 81 19.877 -19.752 -9.536 1.00 46.86 C ATOM 2668 C LYS C 81 20.832 -20.158 -10.646 1.00 46.46 C ATOM 2669 O LYS C 81 20.856 -19.546 -11.714 1.00 46.47 O ATOM 2670 CB LYS C 81 18.456 -20.259 -9.830 1.00 48.75 C ATOM 2671 CG LYS C 81 17.694 -20.726 -8.597 1.00 51.42 C ATOM 2672 CD LYS C 81 17.592 -19.644 -7.530 1.00 51.88 C ATOM 2673 CE LYS C 81 16.916 -20.174 -6.283 1.00 53.88 C ATOM 2674 NZ LYS C 81 17.044 -19.189 -5.178 1.00 54.69 N ATOM 2675 HZ1 LYS C 81 18.051 -19.023 -4.978 1.00 0.00 H ATOM 2676 HZ2 LYS C 81 16.593 -18.295 -5.458 1.00 0.00 H ATOM 2677 HZ3 LYS C 81 16.577 -19.562 -4.327 1.00 0.00 H ATOM 2678 H LYS C 81 19.015 -17.768 -9.455 1.00 0.00 H ATOM 2679 N GLY C 82 21.658 -21.161 -10.356 1.00 48.34 N ATOM 2680 CA GLY C 82 22.636 -21.662 -11.314 1.00 48.91 C ATOM 2681 C GLY C 82 23.985 -20.959 -11.289 1.00 48.22 C ATOM 2682 O GLY C 82 24.866 -21.329 -12.063 1.00 49.18 O ATOM 2683 H GLY C 82 21.604 -21.601 -9.415 1.00 0.00 H ATOM 2684 N TYR C 83 24.146 -19.958 -10.421 1.00 47.32 N ATOM 2685 CA TYR C 83 25.429 -19.289 -10.261 1.00 45.60 C ATOM 2686 C TYR C 83 26.048 -19.555 -8.905 1.00 44.66 C ATOM 2687 O TYR C 83 25.350 -19.589 -7.878 1.00 43.97 O ATOM 2688 CB TYR C 83 25.315 -17.770 -10.427 1.00 46.11 C ATOM 2689 CG TYR C 83 24.898 -17.366 -11.805 1.00 47.05 C ATOM 2690 CD1 TYR C 83 23.564 -17.240 -12.135 1.00 47.85 C ATOM 2691 CD2 TYR C 83 25.848 -17.134 -12.804 1.00 47.34 C ATOM 2692 CE1 TYR C 83 23.173 -16.839 -13.394 1.00 48.45 C ATOM 2693 CE2 TYR C 83 25.464 -16.740 -14.078 1.00 47.57 C ATOM 2694 CZ TYR C 83 24.119 -16.587 -14.364 1.00 47.97 C ATOM 2695 OH TYR C 83 23.661 -16.204 -15.607 1.00 49.35 O ATOM 2696 HH TYR C 83 23.951 -16.867 -16.283 1.00 0.00 H ATOM 2697 H TYR C 83 23.336 -19.649 -9.846 1.00 0.00 H ATOM 2698 N ASP C 84 27.378 -19.695 -8.937 1.00 43.03 N ATOM 2699 CA ASP C 84 28.191 -19.765 -7.739 1.00 42.63 C ATOM 2700 C ASP C 84 28.809 -18.380 -7.594 1.00 39.86 C ATOM 2701 O ASP C 84 29.013 -17.690 -8.593 1.00 37.94 O ATOM 2702 CB ASP C 84 29.271 -20.797 -7.917 1.00 44.71 C ATOM 2703 CG ASP C 84 28.856 -22.186 -7.479 1.00 47.42 C ATOM 2704 OD1 ASP C 84 27.648 -22.547 -7.523 1.00 48.34 O ATOM 2705 OD2 ASP C 84 29.821 -22.905 -7.122 1.00 49.45 O ATOM 2706 H ASP C 84 27.849 -19.756 -9.862 1.00 0.00 H ATOM 2707 N TRP C 85 29.108 -17.999 -6.354 1.00 38.15 N ATOM 2708 CA TRP C 85 29.675 -16.669 -6.078 1.00 35.72 C ATOM 2709 C TRP C 85 31.020 -16.731 -5.382 1.00 34.73 C ATOM 2710 O TRP C 85 31.327 -17.670 -4.667 1.00 34.41 O ATOM 2711 CB TRP C 85 28.708 -15.833 -5.247 1.00 35.49 C ATOM 2712 CG TRP C 85 28.212 -16.493 -4.000 1.00 36.49 C ATOM 2713 CD1 TRP C 85 27.029 -17.199 -3.862 1.00 37.63 C ATOM 2714 CD2 TRP C 85 28.856 -16.534 -2.719 1.00 37.19 C ATOM 2715 NE1 TRP C 85 26.904 -17.653 -2.578 1.00 38.37 N ATOM 2716 CE2 TRP C 85 28.005 -17.265 -1.854 1.00 38.13 C ATOM 2717 CE3 TRP C 85 30.070 -16.044 -2.216 1.00 36.69 C ATOM 2718 CZ2 TRP C 85 28.329 -17.494 -0.511 1.00 39.37 C ATOM 2719 CZ3 TRP C 85 30.392 -16.302 -0.892 1.00 37.90 C ATOM 2720 CH2 TRP C 85 29.523 -17.012 -0.053 1.00 38.95 C ATOM 2721 HE1 TRP C 85 26.103 -18.204 -2.209 1.00 0.00 H ATOM 2722 H TRP C 85 28.938 -18.654 -5.565 1.00 0.00 H ATOM 2723 N THR C 86 31.790 -15.669 -5.580 1.00 32.77 N ATOM 2724 CA THR C 86 33.061 -15.431 -4.917 1.00 32.45 C ATOM 2725 C THR C 86 32.999 -14.012 -4.399 1.00 30.02 C ATOM 2726 O THR C 86 32.444 -13.137 -5.062 1.00 28.73 O ATOM 2727 CB THR C 86 34.192 -15.547 -5.975 1.00 34.36 C ATOM 2728 OG1 THR C 86 34.147 -16.875 -6.543 1.00 36.16 O ATOM 2729 CG2 THR C 86 35.638 -15.128 -5.473 1.00 34.85 C ATOM 2730 HG1 THR C 86 33.266 -17.020 -6.970 1.00 0.00 H ATOM 2731 H THR C 86 31.460 -14.954 -6.260 1.00 0.00 H ATOM 2732 N ILE C 87 33.542 -13.802 -3.222 1.00 29.02 N ATOM 2733 CA ILE C 87 33.527 -12.503 -2.565 1.00 28.00 C ATOM 2734 C ILE C 87 34.353 -11.506 -3.381 1.00 25.86 C ATOM 2735 O ILE C 87 35.474 -11.821 -3.824 1.00 26.09 O ATOM 2736 CB ILE C 87 34.115 -12.628 -1.139 1.00 28.84 C ATOM 2737 CG1 ILE C 87 33.147 -13.399 -0.256 1.00 30.35 C ATOM 2738 CG2 ILE C 87 34.400 -11.271 -0.520 1.00 28.60 C ATOM 2739 CD1 ILE C 87 33.796 -14.015 0.971 1.00 31.76 C ATOM 2740 H ILE C 87 34.003 -14.599 -2.738 1.00 0.00 H ATOM 2741 N ALA C 88 33.772 -10.313 -3.573 1.00 24.00 N ATOM 2742 CA ALA C 88 34.453 -9.213 -4.260 1.00 22.47 C ATOM 2743 C ALA C 88 34.721 -8.101 -3.237 1.00 22.34 C ATOM 2744 O ALA C 88 33.763 -7.534 -2.660 1.00 22.52 O ATOM 2745 CB ALA C 88 33.599 -8.714 -5.407 1.00 22.22 C ATOM 2746 H ALA C 88 32.804 -10.163 -3.222 1.00 0.00 H ATOM 2747 N LEU C 89 36.003 -7.814 -3.012 1.00 21.10 N ATOM 2748 CA LEU C 89 36.400 -6.724 -2.147 1.00 21.15 C ATOM 2749 C LEU C 89 36.849 -5.568 -2.989 1.00 19.40 C ATOM 2750 O LEU C 89 37.353 -5.765 -4.098 1.00 19.12 O ATOM 2751 CB LEU C 89 37.569 -7.128 -1.257 1.00 22.39 C ATOM 2752 CG LEU C 89 37.405 -8.386 -0.415 1.00 23.74 C ATOM 2753 CD1 LEU C 89 38.676 -8.584 0.395 1.00 24.49 C ATOM 2754 CD2 LEU C 89 36.167 -8.274 0.467 1.00 23.96 C ATOM 2755 H LEU C 89 36.738 -8.389 -3.471 1.00 0.00 H ATOM 2756 N CYS C 90 36.708 -4.378 -2.442 1.00 18.65 N ATOM 2757 CA CYS C 90 37.373 -3.229 -3.043 1.00 17.33 C ATOM 2758 C CYS C 90 38.877 -3.486 -3.046 1.00 17.16 C ATOM 2759 O CYS C 90 39.472 -3.806 -2.014 1.00 17.17 O ATOM 2760 CB CYS C 90 37.059 -1.990 -2.229 1.00 17.63 C ATOM 2761 SG CYS C 90 37.832 -0.525 -2.825 1.00 17.07 S ATOM 2762 H CYS C 90 36.127 -4.259 -1.588 1.00 0.00 H ATOM 2763 N GLY C 91 39.490 -3.346 -4.223 1.00 16.64 N ATOM 2764 CA GLY C 91 40.936 -3.505 -4.320 1.00 16.78 C ATOM 2765 C GLY C 91 41.745 -2.411 -3.630 1.00 16.58 C ATOM 2766 O GLY C 91 42.921 -2.590 -3.356 1.00 17.22 O ATOM 2767 H GLY C 91 38.935 -3.123 -5.074 1.00 0.00 H ATOM 2768 N GLN C 92 41.114 -1.279 -3.361 1.00 15.59 N ATOM 2769 CA GLN C 92 41.799 -0.136 -2.784 1.00 15.69 C ATOM 2770 C GLN C 92 41.754 -0.153 -1.263 1.00 16.30 C ATOM 2771 O GLN C 92 42.796 0.006 -0.637 1.00 16.62 O ATOM 2772 CB GLN C 92 41.207 1.149 -3.352 1.00 15.21 C ATOM 2773 CG GLN C 92 41.896 2.435 -2.880 1.00 15.13 C ATOM 2774 CD GLN C 92 41.656 3.599 -3.805 1.00 14.84 C ATOM 2775 OE1 GLN C 92 42.425 3.841 -4.733 1.00 14.71 O ATOM 2776 NE2 GLN C 92 40.552 4.284 -3.611 1.00 14.74 N ATOM 2777 HE22 GLN C 92 39.927 4.048 -2.814 1.00 0.00 H ATOM 2778 HE21 GLN C 92 40.303 5.062 -4.255 1.00 0.00 H ATOM 2779 H GLN C 92 40.098 -1.206 -3.569 1.00 0.00 H ATOM 2780 N CYS C 93 40.588 -0.359 -0.679 1.00 16.51 N ATOM 2781 CA CYS C 93 40.452 -0.319 0.803 1.00 17.79 C ATOM 2782 C CYS C 93 40.044 -1.638 1.444 1.00 18.40 C ATOM 2783 O CYS C 93 40.038 -1.713 2.687 1.00 19.11 O ATOM 2784 CB CYS C 93 39.431 0.760 1.210 1.00 18.03 C ATOM 2785 SG CYS C 93 37.694 0.327 0.958 1.00 18.48 S ATOM 2786 H CYS C 93 39.750 -0.552 -1.264 1.00 0.00 H ATOM 2787 N GLY C 94 39.658 -2.644 0.668 1.00 18.89 N ATOM 2788 CA GLY C 94 39.279 -3.942 1.238 1.00 20.34 C ATOM 2789 C GLY C 94 37.814 -4.104 1.626 1.00 21.15 C ATOM 2790 O GLY C 94 37.429 -5.189 2.072 1.00 23.09 O ATOM 2791 H GLY C 94 39.624 -2.510 -0.363 1.00 0.00 H ATOM 2792 N SER C 95 37.003 -3.060 1.474 1.00 21.39 N ATOM 2793 CA SER C 95 35.569 -3.121 1.795 1.00 23.01 C ATOM 2794 C SER C 95 34.889 -4.227 0.990 1.00 23.57 C ATOM 2795 O SER C 95 35.149 -4.410 -0.190 1.00 23.22 O ATOM 2796 CB SER C 95 34.897 -1.783 1.470 1.00 23.58 C ATOM 2797 OG SER C 95 33.496 -1.766 1.685 1.00 25.14 O ATOM 2798 HG SER C 95 33.139 -0.872 1.454 1.00 0.00 H ATOM 2799 H SER C 95 37.398 -2.168 1.115 1.00 0.00 H ATOM 2800 N HIS C 96 34.013 -4.984 1.638 1.00 24.94 N ATOM 2801 CA HIS C 96 33.269 -6.010 0.919 1.00 25.79 C ATOM 2802 C HIS C 96 32.166 -5.344 0.106 1.00 26.25 C ATOM 2803 O HIS C 96 31.228 -4.825 0.674 1.00 26.28 O ATOM 2804 CB HIS C 96 32.694 -7.028 1.891 1.00 27.88 C ATOM 2805 CG HIS C 96 31.831 -8.042 1.227 1.00 28.50 C ATOM 2806 ND1 HIS C 96 30.750 -8.626 1.848 1.00 30.91 N ATOM 2807 CD2 HIS C 96 31.873 -8.554 -0.025 1.00 28.59 C ATOM 2808 CE1 HIS C 96 30.167 -9.460 1.002 1.00 30.54 C ATOM 2809 NE2 HIS C 96 30.838 -9.438 -0.139 1.00 29.45 N ATOM 2810 H HIS C 96 33.858 -4.845 2.657 1.00 0.00 H ATOM 2811 N LEU C 97 32.281 -5.362 -1.225 1.00 25.20 N ATOM 2812 CA LEU C 97 31.303 -4.662 -2.082 1.00 26.04 C ATOM 2813 C LEU C 97 30.243 -5.543 -2.739 1.00 26.29 C ATOM 2814 O LEU C 97 29.242 -5.035 -3.292 1.00 27.05 O ATOM 2815 CB LEU C 97 32.022 -3.867 -3.176 1.00 25.39 C ATOM 2816 CG LEU C 97 33.022 -2.819 -2.718 1.00 25.71 C ATOM 2817 CD1 LEU C 97 33.604 -2.184 -3.978 1.00 25.40 C ATOM 2818 CD2 LEU C 97 32.351 -1.833 -1.723 1.00 26.35 C ATOM 2819 H LEU C 97 33.071 -5.877 -1.664 1.00 0.00 H ATOM 2820 N GLY C 98 30.506 -6.845 -2.773 1.00 26.47 N ATOM 2821 CA GLY C 98 29.589 -7.758 -3.396 1.00 26.94 C ATOM 2822 C GLY C 98 30.228 -9.054 -3.770 1.00 26.63 C ATOM 2823 O GLY C 98 31.062 -9.596 -3.009 1.00 26.34 O ATOM 2824 H GLY C 98 31.383 -7.206 -2.345 1.00 0.00 H ATOM 2825 N TRP C 99 29.818 -9.585 -4.920 1.00 27.41 N ATOM 2826 CA TRP C 99 30.226 -10.924 -5.346 1.00 28.26 C ATOM 2827 C TRP C 99 30.442 -10.953 -6.833 1.00 27.85 C ATOM 2828 O TRP C 99 29.847 -10.175 -7.560 1.00 28.66 O ATOM 2829 CB TRP C 99 29.138 -11.953 -4.976 1.00 28.98 C ATOM 2830 CG TRP C 99 28.913 -12.046 -3.493 1.00 30.34 C ATOM 2831 CD1 TRP C 99 29.544 -12.875 -2.606 1.00 30.97 C ATOM 2832 CD2 TRP C 99 28.030 -11.234 -2.719 1.00 30.51 C ATOM 2833 NE1 TRP C 99 29.095 -12.627 -1.340 1.00 31.85 N ATOM 2834 CE2 TRP C 99 28.152 -11.639 -1.387 1.00 31.37 C ATOM 2835 CE3 TRP C 99 27.141 -10.197 -3.031 1.00 30.60 C ATOM 2836 CZ2 TRP C 99 27.405 -11.059 -0.355 1.00 32.26 C ATOM 2837 CZ3 TRP C 99 26.413 -9.608 -2.008 1.00 31.43 C ATOM 2838 CH2 TRP C 99 26.519 -10.072 -0.693 1.00 32.39 C ATOM 2839 HE1 TRP C 99 29.419 -13.112 -0.479 1.00 0.00 H ATOM 2840 H TRP C 99 29.188 -9.031 -5.535 1.00 0.00 H ATOM 2841 N HIS C 100 31.301 -11.860 -7.270 1.00 28.84 N ATOM 2842 CA HIS C 100 31.393 -12.242 -8.671 1.00 30.00 C ATOM 2843 C HIS C 100 30.665 -13.573 -8.819 1.00 31.35 C ATOM 2844 O HIS C 100 30.852 -14.468 -8.011 1.00 31.51 O ATOM 2845 CB HIS C 100 32.841 -12.355 -9.142 1.00 30.79 C ATOM 2846 CG HIS C 100 32.965 -12.625 -10.611 1.00 31.74 C ATOM 2847 ND1 HIS C 100 33.592 -13.730 -11.154 1.00 32.99 N ATOM 2848 CD2 HIS C 100 32.494 -11.913 -11.660 1.00 31.84 C ATOM 2849 CE1 HIS C 100 33.504 -13.677 -12.475 1.00 33.15 C ATOM 2850 NE2 HIS C 100 32.857 -12.574 -12.807 1.00 33.00 N ATOM 2851 H HIS C 100 31.935 -12.318 -6.585 1.00 0.00 H ATOM 2852 N TYR C 101 29.847 -13.667 -9.857 1.00 31.83 N ATOM 2853 CA TYR C 101 28.998 -14.836 -10.103 1.00 35.06 C ATOM 2854 C TYR C 101 29.489 -15.539 -11.350 1.00 39.34 C ATOM 2855 O TYR C 101 29.895 -14.870 -12.314 1.00 39.09 O ATOM 2856 CB TYR C 101 27.540 -14.450 -10.265 1.00 33.49 C ATOM 2857 CG TYR C 101 26.931 -14.040 -8.947 1.00 32.08 C ATOM 2858 CD1 TYR C 101 26.940 -12.718 -8.542 1.00 30.70 C ATOM 2859 CD2 TYR C 101 26.326 -14.988 -8.100 1.00 32.11 C ATOM 2860 CE1 TYR C 101 26.363 -12.333 -7.331 1.00 30.04 C ATOM 2861 CE2 TYR C 101 25.774 -14.618 -6.892 1.00 31.67 C ATOM 2862 CZ TYR C 101 25.757 -13.280 -6.532 1.00 31.27 C ATOM 2863 OH TYR C 101 25.224 -12.880 -5.337 1.00 31.44 O ATOM 2864 HH TYR C 101 25.300 -11.896 -5.256 1.00 0.00 H ATOM 2865 H TYR C 101 29.805 -12.874 -10.529 1.00 0.00 H ATOM 2866 N GLU C 102 29.504 -16.870 -11.292 1.00 45.55 N ATOM 2867 CA GLU C 102 30.003 -17.666 -12.403 1.00 50.61 C ATOM 2868 C GLU C 102 29.276 -19.003 -12.443 1.00 54.35 C ATOM 2869 O GLU C 102 28.556 -19.408 -11.506 1.00 52.96 O ATOM 2870 CB GLU C 102 31.497 -17.968 -12.288 1.00 53.35 C ATOM 2871 CG GLU C 102 32.463 -16.864 -11.925 1.00 55.22 C ATOM 2872 CD GLU C 102 33.822 -17.431 -11.557 1.00 57.84 C ATOM 2873 OE1 GLU C 102 33.958 -18.080 -10.481 1.00 59.88 O ATOM 2874 OE2 GLU C 102 34.771 -17.228 -12.351 1.00 60.20 O ATOM 2875 H GLU C 102 29.153 -17.348 -10.438 1.00 0.00 H ATOM 2876 N GLY C 103 29.547 -19.720 -13.532 1.00 58.49 N ATOM 2877 CA GLY C 103 29.074 -21.077 -13.694 1.00 61.87 C ATOM 2878 C GLY C 103 27.665 -21.188 -14.229 1.00 64.48 C ATOM 2879 O GLY C 103 27.116 -22.303 -14.288 1.00 65.39 O ATOM 2880 H GLY C 103 30.116 -19.291 -14.289 1.00 0.00 H ATOM 2881 N GLY C 104 27.075 -20.057 -14.635 1.00 65.48 N ATOM 2882 CA GLY C 104 25.735 -20.044 -15.197 1.00 67.85 C ATOM 2883 C GLY C 104 25.743 -19.964 -16.717 1.00 70.58 C ATOM 2884 O GLY C 104 26.713 -20.321 -17.367 1.00 72.23 O ATOM 2885 H GLY C 104 27.592 -19.159 -14.545 1.00 0.00 H ATOM 2886 N SER C 105 24.636 -19.471 -17.264 1.00 72.08 N ATOM 2887 CA SER C 105 24.433 -19.334 -18.703 1.00 72.46 C ATOM 2888 C SER C 105 23.730 -18.014 -18.995 1.00 71.48 C ATOM 2889 O SER C 105 22.811 -17.629 -18.267 1.00 72.71 O ATOM 2890 CB SER C 105 23.566 -20.481 -19.219 1.00 74.21 C ATOM 2891 OG SER C 105 24.114 -21.743 -18.880 1.00 75.69 O ATOM 2892 HG SER C 105 23.528 -22.460 -19.229 1.00 0.00 H ATOM 2893 H SER C 105 23.870 -19.165 -16.630 1.00 0.00 H ATOM 2894 N GLN C 106 24.192 -17.320 -20.036 1.00 69.93 N ATOM 2895 CA GLN C 106 23.552 -16.105 -20.553 1.00 68.01 C ATOM 2896 C GLN C 106 23.190 -15.078 -19.453 1.00 66.11 C ATOM 2897 O GLN C 106 22.012 -14.802 -19.225 1.00 66.23 O ATOM 2898 CB GLN C 106 22.320 -16.468 -21.398 1.00 69.46 C ATOM 2899 H GLN C 106 25.054 -17.659 -20.508 1.00 0.00 H ATOM 2900 N PRO C 107 24.182 -14.494 -18.779 1.00 63.89 N ATOM 2901 CA PRO C 107 25.610 -14.661 -19.065 1.00 61.63 C ATOM 2902 C PRO C 107 26.249 -15.772 -18.245 1.00 58.86 C ATOM 2903 O PRO C 107 25.677 -16.233 -17.264 1.00 58.76 O ATOM 2904 CB PRO C 107 26.185 -13.318 -18.640 1.00 62.09 C ATOM 2905 CG PRO C 107 25.331 -12.929 -17.478 1.00 62.70 C ATOM 2906 CD PRO C 107 23.943 -13.413 -17.802 1.00 63.73 C ATOM 2907 N GLN C 108 27.436 -16.196 -18.637 1.00 54.51 N ATOM 2908 CA GLN C 108 28.161 -17.170 -17.830 1.00 53.24 C ATOM 2909 C GLN C 108 28.614 -16.566 -16.509 1.00 49.49 C ATOM 2910 O GLN C 108 28.625 -17.273 -15.486 1.00 49.90 O ATOM 2911 CB GLN C 108 29.341 -17.787 -18.564 1.00 55.41 C ATOM 2912 CG GLN C 108 30.379 -16.871 -19.203 1.00 56.39 C ATOM 2913 CD GLN C 108 31.161 -17.588 -20.283 1.00 57.66 C ATOM 2914 OE1 GLN C 108 30.587 -18.260 -21.145 1.00 58.81 O ATOM 2915 NE2 GLN C 108 32.482 -17.447 -20.249 1.00 57.93 N ATOM 2916 HE22 GLN C 108 32.925 -16.871 -19.504 1.00 0.00 H ATOM 2917 HE21 GLN C 108 33.073 -17.912 -20.967 1.00 0.00 H ATOM 2918 H GLN C 108 27.853 -15.836 -19.519 1.00 0.00 H ATOM 2919 N THR C 109 28.973 -15.279 -16.557 1.00 45.29 N ATOM 2920 CA THR C 109 29.478 -14.551 -15.395 1.00 42.20 C ATOM 2921 C THR C 109 28.938 -13.125 -15.321 1.00 39.94 C ATOM 2922 O THR C 109 28.563 -12.521 -16.329 1.00 40.84 O ATOM 2923 CB THR C 109 31.021 -14.437 -15.400 1.00 42.34 C ATOM 2924 OG1 THR C 109 31.435 -13.574 -16.475 1.00 41.10 O ATOM 2925 CG2 THR C 109 31.679 -15.812 -15.524 1.00 43.59 C ATOM 2926 HG1 THR C 109 31.038 -12.676 -16.348 1.00 0.00 H ATOM 2927 H THR C 109 28.889 -14.773 -17.462 1.00 0.00 H ATOM 2928 N PHE C 110 28.909 -12.590 -14.104 1.00 36.10 N ATOM 2929 CA PHE C 110 28.558 -11.192 -13.860 1.00 32.78 C ATOM 2930 C PHE C 110 28.965 -10.819 -12.441 1.00 30.18 C ATOM 2931 O PHE C 110 29.372 -11.677 -11.661 1.00 29.09 O ATOM 2932 CB PHE C 110 27.052 -10.920 -14.106 1.00 33.74 C ATOM 2933 CG PHE C 110 26.139 -11.587 -13.113 1.00 34.65 C ATOM 2934 CD1 PHE C 110 25.734 -12.922 -13.276 1.00 36.15 C ATOM 2935 CD2 PHE C 110 25.675 -10.882 -12.021 1.00 34.85 C ATOM 2936 CE1 PHE C 110 24.874 -13.527 -12.353 1.00 36.55 C ATOM 2937 CE2 PHE C 110 24.798 -11.476 -11.121 1.00 35.57 C ATOM 2938 CZ PHE C 110 24.405 -12.805 -11.276 1.00 36.53 C ATOM 2939 H PHE C 110 29.146 -13.192 -13.290 1.00 0.00 H ATOM 2940 N PHE C 111 28.837 -9.545 -12.112 1.00 27.19 N ATOM 2941 CA PHE C 111 29.124 -9.040 -10.757 1.00 26.44 C ATOM 2942 C PHE C 111 27.838 -8.542 -10.135 1.00 27.10 C ATOM 2943 O PHE C 111 27.060 -7.883 -10.805 1.00 28.97 O ATOM 2944 CB PHE C 111 30.107 -7.883 -10.772 1.00 25.49 C ATOM 2945 CG PHE C 111 31.454 -8.223 -11.325 1.00 24.97 C ATOM 2946 CD1 PHE C 111 31.700 -8.164 -12.710 1.00 24.55 C ATOM 2947 CD2 PHE C 111 32.508 -8.515 -10.461 1.00 24.87 C ATOM 2948 CE1 PHE C 111 32.965 -8.473 -13.192 1.00 24.38 C ATOM 2949 CE2 PHE C 111 33.765 -8.835 -10.950 1.00 24.49 C ATOM 2950 CZ PHE C 111 33.988 -8.815 -12.319 1.00 24.50 C ATOM 2951 H PHE C 111 28.521 -8.872 -12.839 1.00 0.00 H ATOM 2952 N GLY C 112 27.592 -8.932 -8.892 1.00 26.38 N ATOM 2953 CA GLY C 112 26.419 -8.493 -8.148 1.00 26.19 C ATOM 2954 C GLY C 112 26.902 -7.694 -6.965 1.00 26.23 C ATOM 2955 O GLY C 112 27.507 -8.248 -6.028 1.00 25.76 O ATOM 2956 H GLY C 112 28.264 -9.577 -8.429 1.00 0.00 H ATOM 2957 N LEU C 113 26.704 -6.381 -7.029 1.00 26.64 N ATOM 2958 CA LEU C 113 27.312 -5.481 -6.057 1.00 27.29 C ATOM 2959 C LEU C 113 26.215 -4.869 -5.206 1.00 28.68 C ATOM 2960 O LEU C 113 25.115 -4.550 -5.705 1.00 28.34 O ATOM 2961 CB LEU C 113 28.125 -4.397 -6.756 1.00 27.19 C ATOM 2962 CG LEU C 113 29.240 -4.909 -7.669 1.00 26.89 C ATOM 2963 CD1 LEU C 113 29.960 -3.771 -8.354 1.00 26.84 C ATOM 2964 CD2 LEU C 113 30.213 -5.777 -6.885 1.00 26.89 C ATOM 2965 H LEU C 113 26.106 -5.990 -7.785 1.00 0.00 H ATOM 2966 N ILE C 114 26.554 -4.677 -3.931 1.00 30.04 N ATOM 2967 CA ILE C 114 25.564 -4.289 -2.927 1.00 31.72 C ATOM 2968 C ILE C 114 25.371 -2.779 -2.994 1.00 32.76 C ATOM 2969 O ILE C 114 26.289 -2.018 -2.742 1.00 31.52 O ATOM 2970 CB ILE C 114 26.069 -4.690 -1.521 1.00 32.18 C ATOM 2971 CG1 ILE C 114 26.361 -6.186 -1.429 1.00 32.18 C ATOM 2972 CG2 ILE C 114 25.138 -4.197 -0.412 1.00 33.49 C ATOM 2973 CD1 ILE C 114 27.238 -6.543 -0.248 1.00 32.68 C ATOM 2974 H ILE C 114 27.545 -4.806 -3.644 1.00 0.00 H ATOM 2975 N LYS C 115 24.165 -2.350 -3.341 1.00 34.13 N ATOM 2976 CA LYS C 115 23.817 -0.928 -3.460 1.00 35.48 C ATOM 2977 C LYS C 115 24.293 -0.053 -2.310 1.00 36.71 C ATOM 2978 O LYS C 115 24.868 1.012 -2.571 1.00 35.64 O ATOM 2979 CB LYS C 115 22.293 -0.749 -3.627 1.00 37.56 C ATOM 2980 CG LYS C 115 21.837 0.699 -3.814 1.00 39.35 C ATOM 2981 CD LYS C 115 20.417 0.879 -4.267 1.00 40.80 C ATOM 2982 CE LYS C 115 20.154 2.343 -4.602 1.00 41.59 C ATOM 2983 NZ LYS C 115 18.720 2.719 -4.564 1.00 42.94 N ATOM 2984 HZ1 LYS C 115 18.194 2.145 -5.254 1.00 0.00 H ATOM 2985 HZ2 LYS C 115 18.343 2.548 -3.610 1.00 0.00 H ATOM 2986 HZ3 LYS C 115 18.621 3.727 -4.802 1.00 0.00 H ATOM 2987 H LYS C 115 23.428 -3.057 -3.539 1.00 0.00 H ATOM 2988 N ASP C 116 24.080 -0.478 -1.058 1.00 37.59 N ATOM 2989 CA ASP C 116 24.428 0.419 0.063 1.00 39.72 C ATOM 2990 C ASP C 116 25.932 0.465 0.358 1.00 38.09 C ATOM 2991 O ASP C 116 26.354 1.229 1.203 1.00 38.35 O ATOM 2992 CB ASP C 116 23.573 0.218 1.326 1.00 42.93 C ATOM 2993 CG ASP C 116 23.731 -1.137 1.962 1.00 45.12 C ATOM 2994 OD1 ASP C 116 24.822 -1.715 1.910 1.00 46.37 O ATOM 2995 OD2 ASP C 116 22.760 -1.583 2.611 1.00 49.73 O ATOM 2996 H ASP C 116 23.678 -1.420 -0.879 1.00 0.00 H ATOM 2997 N ARG C 117 26.722 -0.325 -0.361 1.00 36.03 N ATOM 2998 CA ARG C 117 28.192 -0.255 -0.279 1.00 34.82 C ATOM 2999 C ARG C 117 28.812 0.562 -1.397 1.00 32.93 C ATOM 3000 O ARG C 117 30.018 0.695 -1.434 1.00 29.70 O ATOM 3001 CB ARG C 117 28.771 -1.680 -0.239 1.00 35.58 C ATOM 3002 CG ARG C 117 28.196 -2.490 0.925 1.00 38.20 C ATOM 3003 CD ARG C 117 29.186 -2.775 2.043 1.00 39.95 C ATOM 3004 NE ARG C 117 28.512 -3.431 3.158 1.00 42.21 N ATOM 3005 CZ ARG C 117 28.785 -4.643 3.642 1.00 43.66 C ATOM 3006 NH1 ARG C 117 29.745 -5.407 3.125 1.00 42.49 N ATOM 3007 NH2 ARG C 117 28.073 -5.093 4.676 1.00 45.13 N ATOM 3008 HE ARG C 117 27.745 -2.902 3.620 1.00 0.00 H ATOM 3009 HH12 ARG C 117 29.933 -6.348 3.526 1.00 0.00 H ATOM 3010 HH11 ARG C 117 30.307 -5.063 2.320 1.00 0.00 H ATOM 3011 HH22 ARG C 117 28.268 -6.035 5.071 1.00 0.00 H ATOM 3012 HH21 ARG C 117 27.323 -4.502 5.088 1.00 0.00 H ATOM 3013 H ARG C 117 26.288 -1.017 -1.004 1.00 0.00 H ATOM 3014 N LEU C 118 27.982 1.127 -2.277 1.00 31.97 N ATOM 3015 CA LEU C 118 28.416 1.902 -3.418 1.00 31.40 C ATOM 3016 C LEU C 118 27.970 3.351 -3.318 1.00 31.30 C ATOM 3017 O LEU C 118 27.031 3.656 -2.620 1.00 32.77 O ATOM 3018 CB LEU C 118 27.839 1.287 -4.694 1.00 31.85 C ATOM 3019 CG LEU C 118 28.377 -0.094 -5.049 1.00 31.95 C ATOM 3020 CD1 LEU C 118 27.674 -0.522 -6.318 1.00 32.43 C ATOM 3021 CD2 LEU C 118 29.883 -0.166 -5.224 1.00 31.31 C ATOM 3022 H LEU C 118 26.960 1.002 -2.133 1.00 0.00 H ATOM 3023 N ALA C 119 28.666 4.225 -4.032 1.00 30.72 N ATOM 3024 CA ALA C 119 28.225 5.582 -4.296 1.00 30.24 C ATOM 3025 C ALA C 119 28.035 5.711 -5.805 1.00 29.16 C ATOM 3026 O ALA C 119 28.907 5.325 -6.599 1.00 27.61 O ATOM 3027 CB ALA C 119 29.271 6.562 -3.815 1.00 30.39 C ATOM 3028 H ALA C 119 29.580 3.921 -4.425 1.00 0.00 H ATOM 3029 N GLU C 120 26.903 6.273 -6.201 1.00 29.07 N ATOM 3030 CA GLU C 120 26.632 6.514 -7.626 1.00 29.43 C ATOM 3031 C GLU C 120 26.872 7.982 -7.916 1.00 29.29 C ATOM 3032 O GLU C 120 26.540 8.858 -7.113 1.00 26.38 O ATOM 3033 CB GLU C 120 25.188 6.138 -7.986 1.00 31.01 C ATOM 3034 CG GLU C 120 24.146 6.717 -7.029 1.00 34.13 C ATOM 3035 CD GLU C 120 22.719 6.412 -7.408 1.00 36.23 C ATOM 3036 OE1 GLU C 120 21.821 7.150 -6.909 1.00 38.65 O ATOM 3037 OE2 GLU C 120 22.486 5.464 -8.204 1.00 36.69 O ATOM 3038 H GLU C 120 26.194 6.549 -5.492 1.00 0.00 H ATOM 3039 N GLY C 121 27.420 8.278 -9.093 1.00 28.88 N ATOM 3040 CA GLY C 121 27.522 9.671 -9.533 1.00 30.13 C ATOM 3041 C GLY C 121 27.730 9.794 -11.017 1.00 30.32 C ATOM 3042 O GLY C 121 27.715 8.810 -11.720 1.00 28.65 O ATOM 3043 H GLY C 121 27.778 7.516 -9.703 1.00 0.00 H ATOM 3044 N PRO C 122 27.885 11.022 -11.506 1.00 31.41 N ATOM 3045 CA PRO C 122 27.933 11.244 -12.941 1.00 32.48 C ATOM 3046 C PRO C 122 29.169 10.688 -13.632 1.00 33.15 C ATOM 3047 O PRO C 122 30.205 10.495 -13.005 1.00 31.67 O ATOM 3048 CB PRO C 122 27.886 12.763 -13.063 1.00 33.45 C ATOM 3049 CG PRO C 122 28.391 13.292 -11.756 1.00 33.68 C ATOM 3050 CD PRO C 122 28.046 12.263 -10.727 1.00 32.81 C ATOM 3051 N ALA C 123 29.054 10.478 -14.949 1.00 35.25 N ATOM 3052 CA ALA C 123 30.185 10.065 -15.782 1.00 36.65 C ATOM 3053 C ALA C 123 31.300 11.091 -15.755 1.00 38.66 C ATOM 3054 O ALA C 123 31.094 12.257 -15.410 1.00 38.94 O ATOM 3055 CB ALA C 123 29.741 9.833 -17.227 1.00 37.03 C ATOM 3056 H ALA C 123 28.126 10.613 -15.398 1.00 0.00 H ATOM 3057 N ASP C 124 32.481 10.643 -16.157 1.00 41.47 N ATOM 3058 CA ASP C 124 33.674 11.483 -16.163 1.00 44.39 C ATOM 3059 C ASP C 124 33.544 12.658 -17.128 1.00 47.12 C ATOM 3060 O ASP C 124 32.891 12.567 -18.171 1.00 48.65 O ATOM 3061 CB ASP C 124 34.896 10.655 -16.562 1.00 45.49 C ATOM 3062 CG ASP C 124 35.206 9.530 -15.579 1.00 45.34 C ATOM 3063 OD1 ASP C 124 34.966 9.680 -14.356 1.00 43.65 O ATOM 3064 OD2 ASP C 124 35.711 8.492 -16.050 1.00 47.92 O ATOM 3065 OXT ASP C 124 34.093 13.730 -16.871 1.00 49.83 O ATOM 3066 H ASP C 124 32.560 9.657 -16.480 1.00 0.00 H TER 3067 ASP C 124 HETATM 3068 ZN ZN A 1 24.057 27.019 10.107 1.00 11.18 ZN HETATM 3069 ZN ZN A 2 43.481 10.857 30.009 1.00 16.51 ZN HETATM 3070 ZN ZN A 3 37.101 0.956 -1.178 1.00 17.81 ZN HETATM 3071 O HOH 4 9.906 23.046 -10.290 1.00 30.05 O HETATM 3072 O HOH 5 14.088 26.621 11.739 1.00 20.70 O HETATM 3073 O HOH 6 13.546 18.847 24.651 1.00 34.50 O HETATM 3074 O HOH 7 13.940 24.687 -4.973 1.00 29.96 O HETATM 3075 O HOH 8 31.594 26.942 11.644 1.00 35.34 O HETATM 3076 O HOH 9 14.872 22.488 -6.832 1.00 28.57 O HETATM 3077 O HOH 10 28.044 20.511 -3.825 1.00 43.46 O HETATM 3078 O HOH 11 8.249 11.525 5.170 1.00 17.20 O HETATM 3079 O HOH 12 31.630 16.165 8.090 1.00 14.60 O HETATM 3080 O HOH 13 21.135 26.022 -7.020 1.00 17.86 O HETATM 3081 O HOH 14 8.036 15.835 0.304 1.00 23.38 O HETATM 3082 O HOH 15 28.652 13.086 3.584 1.00 17.46 O HETATM 3083 O HOH 16 30.463 16.840 4.626 1.00 23.82 O HETATM 3084 O HOH 17 15.050 18.716 -15.961 1.00 17.95 O HETATM 3085 O HOH 18 14.413 9.040 18.014 1.00 43.61 O HETATM 3086 O HOH 19 28.211 27.749 1.741 1.00 37.48 O HETATM 3087 O HOH 20 8.217 15.545 15.294 1.00 39.48 O HETATM 3088 O HOH 21 15.436 30.213 6.251 1.00 29.83 O HETATM 3089 O HOH 22 20.836 6.426 -4.527 1.00 43.78 O HETATM 3090 O HOH 23 23.851 14.017 11.741 1.00 24.85 O HETATM 3091 O HOH 24 13.549 6.924 12.170 1.00 37.62 O HETATM 3092 O HOH 25 28.921 30.273 5.489 1.00 34.70 O HETATM 3093 O HOH 26 22.392 2.933 3.089 1.00 44.99 O HETATM 3094 O HOH 27 20.398 12.517 18.585 1.00 35.77 O HETATM 3095 O HOH 28 9.415 20.156 18.632 1.00 52.76 O HETATM 3096 O HOH 29 8.983 14.099 26.584 1.00 41.60 O HETATM 3097 O HOH 30 10.634 15.569 -14.171 1.00 14.49 O HETATM 3098 O HOH 31 29.798 24.322 6.656 1.00 24.05 O HETATM 3099 O HOH 32 9.687 9.675 -7.852 1.00 33.46 O HETATM 3100 O HOH 33 23.530 22.783 -13.211 1.00 26.44 O HETATM 3101 O HOH 34 33.873 14.635 -13.242 1.00 34.75 O HETATM 3102 O HOH 35 20.403 29.228 -10.564 1.00 39.43 O HETATM 3103 O HOH 36 9.064 9.603 8.364 1.00 34.23 O HETATM 3104 O HOH 37 20.307 24.758 -9.221 1.00 17.63 O HETATM 3105 O HOH 38 11.383 8.535 11.058 1.00 29.88 O HETATM 3106 O HOH 39 8.641 12.446 -12.101 1.00 24.00 O HETATM 3107 O HOH 40 29.856 22.663 15.683 1.00 19.07 O HETATM 3108 O HOH 41 11.119 13.873 14.935 1.00 19.95 O HETATM 3109 O HOH 42 32.156 17.245 2.430 1.00 32.25 O HETATM 3110 O HOH 43 30.482 14.861 2.304 1.00 30.58 O HETATM 3111 O HOH 44 9.495 19.137 0.020 1.00 25.66 O HETATM 3112 O HOH 45 16.018 12.732 -14.217 1.00 33.71 O HETATM 3113 O HOH 46 10.239 21.714 13.562 1.00 35.51 O HETATM 3114 O HOH 47 15.929 30.319 -5.045 1.00 38.15 O HETATM 3115 O HOH 48 31.803 23.486 13.957 1.00 26.91 O HETATM 3116 O HOH 49 2.437 21.422 -6.683 1.00 40.80 O HETATM 3117 O HOH 50 19.728 5.421 8.728 1.00 46.60 O HETATM 3118 O HOH 51 16.357 21.497 20.326 1.00 23.91 O HETATM 3119 O HOH 52 6.341 18.111 -10.180 1.00 12.88 O HETATM 3120 O HOH 53 3.732 15.318 -4.382 1.00 24.97 O HETATM 3121 O HOH 54 29.346 20.973 8.584 1.00 23.84 O HETATM 3122 O HOH 55 12.503 9.103 -8.834 1.00 32.93 O HETATM 3123 O HOH 56 30.980 20.235 14.828 1.00 25.62 O HETATM 3124 O HOH 57 32.290 20.626 10.727 1.00 27.01 O HETATM 3125 O HOH 58 6.531 18.298 2.153 1.00 24.81 O HETATM 3126 O HOH 59 12.923 16.098 23.335 1.00 42.00 O HETATM 3127 O HOH 60 7.473 20.251 -8.450 1.00 21.28 O HETATM 3128 O HOH 61 16.463 7.915 -9.099 1.00 28.06 O HETATM 3129 O HOH 62 28.310 32.602 8.663 1.00 23.88 O HETATM 3130 O HOH 63 26.909 22.205 8.749 1.00 14.68 O HETATM 3131 O HOH 64 14.233 16.296 -13.980 1.00 28.30 O HETATM 3132 O HOH 65 23.227 15.311 -16.357 1.00 35.21 O HETATM 3133 O HOH 66 29.475 24.797 3.525 1.00 20.05 O HETATM 3134 O HOH 67 9.492 19.159 23.330 1.00 47.45 O HETATM 3135 O HOH 68 25.563 21.609 -5.660 1.00 29.76 O HETATM 3136 O HOH 69 15.110 4.102 5.185 1.00 32.53 O HETATM 3137 O HOH 70 5.887 17.453 -2.740 1.00 20.31 O HETATM 3138 O HOH 71 28.342 10.963 6.471 1.00 25.50 O HETATM 3139 O HOH 72 16.640 15.384 -13.662 1.00 30.50 O HETATM 3140 O HOH 73 19.764 1.448 -0.451 1.00 51.10 O HETATM 3141 O HOH 74 22.973 4.438 -1.480 1.00 37.68 O HETATM 3142 O HOH 75 2.691 17.869 -3.647 1.00 35.39 O HETATM 3143 O HOH 76 10.186 11.824 -10.154 1.00 16.61 O HETATM 3144 O HOH 77 12.894 6.458 6.442 1.00 45.19 O HETATM 3145 O HOH 78 30.862 19.080 8.969 1.00 23.94 O HETATM 3146 O HOH 79 14.524 9.976 20.580 1.00 40.91 O HETATM 3147 O HOH 80 18.811 32.927 -4.881 1.00 40.61 O HETATM 3148 O HOH 81 10.677 7.175 -4.461 1.00 38.16 O HETATM 3149 O HOH 82 10.293 25.219 14.587 1.00 35.52 O HETATM 3150 O HOH 83 25.579 21.322 -12.068 1.00 39.93 O HETATM 3151 O HOH 84 13.334 28.961 10.357 1.00 27.89 O HETATM 3152 O HOH 85 11.588 10.880 16.471 1.00 38.28 O HETATM 3153 O HOH 86 9.162 8.178 12.599 1.00 45.82 O HETATM 3154 O HOH 87 5.632 21.367 -6.326 1.00 31.38 O HETATM 3155 O HOH 88 15.620 22.914 22.655 1.00 47.19 O HETATM 3156 O HOH 89 15.631 6.879 -5.427 1.00 33.47 O HETATM 3157 O HOH 90 12.992 11.562 -16.091 1.00 38.65 O HETATM 3158 O HOH 91 29.011 28.281 9.229 1.00 33.24 O HETATM 3159 O HOH 92 6.912 9.373 4.267 1.00 38.07 O HETATM 3160 O HOH 93 22.569 25.018 -10.872 1.00 34.24 O HETATM 3161 O HOH 94 30.602 26.778 7.601 1.00 39.82 O HETATM 3162 O HOH 95 28.356 26.700 -0.603 1.00 45.94 O HETATM 3163 O HOH 96 36.511 18.300 22.459 1.00 40.64 O HETATM 3164 O HOH 97 42.330 -3.956 25.989 1.00 36.94 O HETATM 3165 O HOH 98 15.564 9.661 26.260 1.00 35.36 O HETATM 3166 O HOH 99 30.719 7.816 9.388 1.00 31.83 O HETATM 3167 O HOH 100 26.068 4.784 35.678 1.00 27.13 O HETATM 3168 O HOH 101 22.566 11.632 12.509 1.00 40.18 O HETATM 3169 O HOH 102 32.128 22.282 19.516 1.00 32.81 O HETATM 3170 O HOH 103 33.992 -3.090 14.431 1.00 32.89 O HETATM 3171 O HOH 104 28.541 10.202 8.970 1.00 21.16 O HETATM 3172 O HOH 105 30.308 21.815 21.447 1.00 34.08 O HETATM 3173 O HOH 106 26.458 10.689 34.398 1.00 15.05 O HETATM 3174 O HOH 107 28.644 5.401 37.191 1.00 38.16 O HETATM 3175 O HOH 108 40.160 7.687 11.956 1.00 22.48 O HETATM 3176 O HOH 109 22.269 10.154 16.645 1.00 32.68 O HETATM 3177 O HOH 110 29.689 8.793 40.488 1.00 34.27 O HETATM 3178 O HOH 111 27.270 2.980 32.792 1.00 27.01 O HETATM 3179 O HOH 112 43.806 1.407 29.278 1.00 27.32 O HETATM 3180 O HOH 113 28.917 -3.756 23.176 1.00 23.82 O HETATM 3181 O HOH 114 20.211 13.366 33.484 1.00 37.19 O HETATM 3182 O HOH 115 17.172 0.293 21.723 1.00 42.40 O HETATM 3183 O HOH 116 23.852 10.030 33.964 1.00 16.31 O HETATM 3184 O HOH 117 48.781 4.748 20.069 1.00 30.37 O HETATM 3185 O HOH 118 45.298 -7.659 13.368 1.00 41.17 O HETATM 3186 O HOH 119 47.657 -0.139 24.732 1.00 36.87 O HETATM 3187 O HOH 120 41.426 17.430 18.911 1.00 36.47 O HETATM 3188 O HOH 121 45.564 12.631 16.625 1.00 33.94 O HETATM 3189 O HOH 122 32.282 14.676 10.364 1.00 12.39 O HETATM 3190 O HOH 123 36.093 -5.817 14.433 1.00 36.14 O HETATM 3191 O HOH 124 15.773 -0.694 26.136 1.00 37.24 O HETATM 3192 O HOH 125 39.295 2.559 34.345 1.00 16.75 O HETATM 3193 O HOH 126 36.432 -1.396 12.617 1.00 31.39 O HETATM 3194 O HOH 127 16.791 22.663 25.282 1.00 20.68 O HETATM 3195 O HOH 128 16.181 8.547 33.615 1.00 37.36 O HETATM 3196 O HOH 129 27.008 -5.221 26.109 1.00 13.56 O HETATM 3197 O HOH 130 39.751 17.463 27.917 1.00 35.69 O HETATM 3198 O HOH 131 31.659 -3.557 17.250 1.00 16.83 O HETATM 3199 O HOH 132 21.697 0.048 15.362 1.00 41.27 O HETATM 3200 O HOH 133 41.219 14.218 25.831 1.00 17.15 O HETATM 3201 O HOH 134 28.232 12.155 10.791 1.00 15.89 O HETATM 3202 O HOH 135 39.972 15.566 15.996 1.00 26.54 O HETATM 3203 O HOH 136 31.807 1.293 11.717 1.00 30.72 O HETATM 3204 O HOH 137 47.491 2.732 27.864 1.00 39.76 O HETATM 3205 O HOH 138 47.344 10.671 23.205 1.00 36.59 O HETATM 3206 O HOH 139 37.839 -7.712 21.531 1.00 16.87 O HETATM 3207 O HOH 140 41.851 -2.213 16.610 1.00 18.24 O HETATM 3208 O HOH 141 19.127 3.005 19.843 1.00 45.48 O HETATM 3209 O HOH 142 24.789 4.234 31.343 1.00 27.32 O HETATM 3210 O HOH 143 46.161 -12.564 19.804 1.00 40.62 O HETATM 3211 O HOH 144 32.199 3.927 37.904 1.00 32.32 O HETATM 3212 O HOH 145 22.406 -2.959 30.496 1.00 30.88 O HETATM 3213 O HOH 146 26.028 12.379 12.295 1.00 16.66 O HETATM 3214 O HOH 147 37.465 17.494 29.853 1.00 26.80 O HETATM 3215 O HOH 148 40.864 10.478 17.109 1.00 24.35 O HETATM 3216 O HOH 149 34.538 15.011 18.201 1.00 11.89 O HETATM 3217 O HOH 150 30.040 3.813 10.035 1.00 30.05 O HETATM 3218 O HOH 151 26.667 -0.536 32.705 1.00 31.96 O HETATM 3219 O HOH 152 32.867 16.991 19.351 1.00 12.98 O HETATM 3220 O HOH 153 38.510 10.226 36.362 1.00 32.83 O HETATM 3221 O HOH 154 21.359 5.473 16.361 1.00 39.89 O HETATM 3222 O HOH 155 30.209 -1.374 26.733 1.00 15.12 O HETATM 3223 O HOH 156 28.581 23.398 20.620 1.00 24.78 O HETATM 3224 O HOH 157 23.653 11.741 15.015 1.00 22.59 O HETATM 3225 O HOH 158 47.349 10.594 17.027 1.00 30.66 O HETATM 3226 O HOH 159 39.457 7.922 38.223 1.00 38.11 O HETATM 3227 O HOH 160 48.116 3.577 13.603 1.00 36.16 O HETATM 3228 O HOH 161 35.549 6.868 9.967 1.00 32.39 O HETATM 3229 O HOH 162 47.286 7.063 19.811 1.00 23.11 O HETATM 3230 O HOH 163 32.328 18.725 21.469 1.00 37.79 O HETATM 3231 O HOH 164 41.149 -9.045 15.655 1.00 40.17 O HETATM 3232 O HOH 165 22.251 16.699 29.094 1.00 32.10 O HETATM 3233 O HOH 166 40.507 5.660 38.017 1.00 37.98 O HETATM 3234 O HOH 167 42.143 3.443 34.340 1.00 30.48 O HETATM 3235 O HOH 168 22.464 19.396 28.578 1.00 21.89 O HETATM 3236 O HOH 169 24.021 11.331 38.477 1.00 38.88 O HETATM 3237 O HOH 170 48.303 17.213 26.374 1.00 47.66 O HETATM 3238 O HOH 171 32.039 18.520 16.980 1.00 24.86 O HETATM 3239 O HOH 172 43.332 0.963 31.651 1.00 34.08 O HETATM 3240 O HOH 173 12.625 2.960 23.721 1.00 42.24 O HETATM 3241 O HOH 174 20.915 1.396 9.150 1.00 45.11 O HETATM 3242 O HOH 175 15.507 -7.278 24.262 1.00 50.63 O HETATM 3243 O HOH 176 24.597 -1.967 15.981 1.00 46.32 O HETATM 3244 O HOH 177 20.867 20.865 30.182 1.00 32.21 O HETATM 3245 O HOH 178 24.613 20.276 30.112 1.00 29.47 O HETATM 3246 O HOH 179 39.523 20.017 18.858 1.00 49.66 O HETATM 3247 O HOH 180 44.415 17.646 24.442 1.00 45.40 O HETATM 3248 O HOH 181 22.682 12.484 34.549 1.00 30.98 O HETATM 3249 O HOH 182 41.647 16.660 24.518 1.00 32.70 O HETATM 3250 O HOH 183 29.977 -5.060 15.798 1.00 33.26 O HETATM 3251 O HOH 184 23.910 3.108 39.503 1.00 42.24 O HETATM 3252 O HOH 185 39.272 -10.015 13.976 1.00 37.90 O HETATM 3253 O HOH 186 44.765 -5.979 9.317 1.00 52.82 O HETATM 3254 O HOH 187 21.192 -5.069 -12.157 1.00 33.76 O HETATM 3255 O HOH 188 37.363 5.987 4.004 1.00 31.39 O HETATM 3256 O HOH 189 35.831 7.431 -12.999 1.00 38.27 O HETATM 3257 O HOH 190 41.573 -5.070 -1.068 1.00 30.45 O HETATM 3258 O HOH 191 17.565 2.575 -2.306 1.00 47.40 O HETATM 3259 O HOH 192 31.670 0.167 0.769 1.00 26.75 O HETATM 3260 O HOH 193 34.714 -16.030 -1.801 1.00 42.50 O HETATM 3261 O HOH 194 42.145 -4.705 -7.517 1.00 30.28 O HETATM 3262 O HOH 195 33.971 -11.565 -15.019 1.00 29.51 O HETATM 3263 O HOH 196 41.569 -0.130 4.213 1.00 33.62 O HETATM 3264 O HOH 197 31.211 6.419 3.026 1.00 46.54 O HETATM 3265 O HOH 198 32.863 -16.082 -8.765 1.00 52.01 O HETATM 3266 O HOH 199 33.038 9.677 -12.478 1.00 30.41 O HETATM 3267 O HOH 200 14.663 -5.215 -19.358 1.00 45.13 O HETATM 3268 O HOH 201 32.774 -18.049 -2.400 1.00 40.44 O HETATM 3269 O HOH 202 29.447 -13.415 1.244 1.00 40.72 O HETATM 3270 O HOH 203 21.156 9.555 -13.941 1.00 38.77 O HETATM 3271 O HOH 204 21.786 -22.499 0.104 1.00 50.68 O HETATM 3272 O HOH 205 18.317 -19.258 -12.750 1.00 41.61 O HETATM 3273 O HOH 206 35.003 8.010 1.626 1.00 33.38 O HETATM 3274 O HOH 207 39.251 1.510 -10.481 1.00 33.12 O HETATM 3275 O HOH 208 27.509 -18.276 2.754 1.00 43.31 O HETATM 3276 O HOH 209 31.439 -10.901 -15.513 1.00 38.76 O HETATM 3277 O HOH 210 26.482 11.048 -16.050 1.00 38.45 O HETATM 3278 O HOH 211 27.527 -22.026 -11.002 1.00 56.08 O HETATM 3279 O HOH 212 15.172 -1.641 -17.821 1.00 47.76 O HETATM 3280 O HOH 213 35.230 -7.252 -15.530 1.00 21.84 O HETATM 3281 O HOH 214 33.508 -4.776 4.470 1.00 34.78 O HETATM 3282 O HOH 215 21.929 -2.455 -0.308 1.00 39.43 O HETATM 3283 O HOH 216 43.687 -3.318 -0.546 1.00 35.85 O HETATM 3284 O HOH 217 16.804 -13.209 -8.186 1.00 57.91 O HETATM 3285 O HOH 218 42.803 -0.992 -8.773 1.00 32.04 O HETATM 3286 O HOH 219 18.529 2.522 -10.681 1.00 48.02 O HETATM 3287 O HOH 220 30.524 -7.826 5.349 1.00 53.55 O HETATM 3288 O HOH 221 15.237 -0.390 -10.245 1.00 49.40 O HETATM 3289 O HOH 222 34.947 8.390 -1.197 1.00 38.30 O HETATM 3290 O HOH 223 27.373 -9.570 3.848 1.00 52.80 O HETATM 3291 O HOH 224 15.518 4.088 -7.636 1.00 48.74 O HETATM 3292 O HOH 225 17.412 -10.766 -8.988 1.00 31.98 O HETATM 3293 C4 JOW A 226 22.622 13.880 26.347 1.00 0.23 C HETATM 3294 N1 JOW A 226 22.108 12.726 25.825 1.00 -0.20 N HETATM 3295 C1 JOW A 226 23.015 11.693 25.797 1.00 0.21 C HETATM 3296 C2 JOW A 226 24.252 12.128 26.530 1.00 0.08 C HETATM 3297 C3 JOW A 226 24.079 13.644 26.681 1.00 0.15 C HETATM 3298 N2 JOW A 226 24.379 14.098 28.011 1.00 -0.24 N HETATM 3299 C5 JOW A 226 24.989 15.268 28.245 1.00 0.32 C HETATM 3300 O3 JOW A 226 25.270 15.375 29.552 1.00 -0.25 O HETATM 3301 C6 JOW A 226 25.537 16.720 30.023 1.00 0.11 C HETATM 3302 C7 JOW A 226 26.992 17.038 29.833 1.00 -0.02 C HETATM 3303 C8 JOW A 226 27.382 18.152 29.111 1.00 -0.06 C HETATM 3304 C9 JOW A 226 28.723 18.446 28.935 1.00 -0.06 C HETATM 3305 C10 JOW A 226 29.705 17.631 29.477 1.00 -0.03 C HETATM 3306 C11 JOW A 226 29.311 16.516 30.199 1.00 -0.06 C HETATM 3307 C12 JOW A 226 27.970 16.223 30.375 1.00 -0.06 C HETATM 3308 H6 JOW A 226 27.683 15.346 30.943 1.00 0.05 H HETATM 3309 H3 JOW A 226 30.062 15.865 30.631 1.00 0.05 H HETATM 3310 C13 JOW A 226 31.166 17.951 29.286 1.00 0.06 C HETATM 3311 N3 JOW A 226 31.486 19.345 29.555 1.00 -0.28 N HETATM 3312 C14 JOW A 226 32.670 19.729 30.020 1.00 0.18 C HETATM 3313 C15 JOW A 226 32.797 19.809 31.519 1.00 0.05 C HETATM 3314 C16 JOW A 226 31.808 18.912 32.225 1.00 0.02 C HETATM 3315 C17 JOW A 226 32.359 17.559 32.640 1.00 0.04 C HETATM 3316 O6 JOW A 226 33.576 17.344 32.481 1.00 -0.57 O HETATM 3317 O7 JOW A 226 31.568 16.723 33.122 1.00 -0.57 O HETATM 3318 H17 JOW A 226 30.957 18.742 31.549 1.00 0.05 H HETATM 3319 H18 JOW A 226 31.460 19.432 33.130 1.00 0.05 H HETATM 3320 H15 JOW A 226 32.620 20.848 31.834 1.00 0.05 H HETATM 3321 H16 JOW A 226 33.815 19.507 31.805 1.00 0.05 H HETATM 3322 O5 JOW A 226 33.612 20.005 29.280 1.00 -0.40 O HETATM 3323 H12 JOW A 226 30.788 20.040 29.383 1.00 0.19 H HETATM 3324 H7 JOW A 226 31.441 17.723 28.245 1.00 0.07 H HETATM 3325 H8 JOW A 226 31.755 17.319 29.967 1.00 0.07 H HETATM 3326 H5 JOW A 226 29.009 19.324 28.367 1.00 0.05 H HETATM 3327 H4 JOW A 226 26.629 18.801 28.679 1.00 0.05 H HETATM 3328 H1 JOW A 226 24.928 17.436 29.452 1.00 0.08 H HETATM 3329 H2 JOW A 226 25.282 16.792 31.091 1.00 0.08 H HETATM 3330 O4 JOW A 226 25.247 16.100 27.405 1.00 -0.38 O HETATM 3331 H10 JOW A 226 24.124 13.522 28.788 1.00 0.19 H HETATM 3332 H11 JOW A 226 24.729 14.174 25.969 1.00 0.08 H HETATM 3333 H13 JOW A 226 24.315 11.642 27.515 1.00 0.06 H HETATM 3334 H14 JOW A 226 25.155 11.893 25.947 1.00 0.06 H HETATM 3335 O1 JOW A 226 22.813 10.619 25.257 1.00 -0.39 O HETATM 3336 H9 JOW A 226 21.167 12.642 25.497 1.00 0.23 H HETATM 3337 O2 JOW A 226 22.010 14.919 26.513 1.00 -0.38 O CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 95 94 3068 CONECT 131 130 3068 CONECT 730 729 3068 CONECT 754 753 3068 CONECT 1033 1034 1040 1041 1042 CONECT 1040 1033 CONECT 1041 1033 CONECT 1042 1033 CONECT 1127 1126 3069 CONECT 1163 1162 3069 CONECT 1761 1760 3069 CONECT 1785 1784 3069 CONECT 2064 2065 2068 2069 2070 CONECT 2068 2064 CONECT 2069 2064 CONECT 2070 2064 CONECT 2128 2127 3070 CONECT 2164 2163 3070 CONECT 2761 2760 3070 CONECT 2785 2784 3070 CONECT 3068 95 131 730 754 CONECT 3069 1127 1163 1761 1785 CONECT 3070 2128 2164 2761 2785 CONECT 3293 3294 3297 3337 CONECT 3294 3293 3295 3336 CONECT 3295 3294 3296 3335 CONECT 3296 3295 3297 3333 3334 CONECT 3297 3293 3296 3298 3332 CONECT 3298 3297 3299 3331 CONECT 3299 3298 3300 3330 CONECT 3300 3299 3301 CONECT 3301 3300 3302 3328 3329 CONECT 3302 3301 3303 3307 CONECT 3303 3302 3304 3327 CONECT 3304 3303 3305 3326 CONECT 3305 3304 3306 3310 CONECT 3306 3305 3307 3309 CONECT 3307 3302 3306 3308 CONECT 3308 3307 CONECT 3309 3306 CONECT 3310 3305 3311 3324 3325 CONECT 3311 3310 3312 3323 CONECT 3312 3311 3313 3322 CONECT 3313 3312 3314 3320 3321 CONECT 3314 3313 3315 3318 3319 CONECT 3315 3314 3316 3317 CONECT 3316 3315 CONECT 3317 3315 CONECT 3318 3314 CONECT 3319 3314 CONECT 3320 3313 CONECT 3321 3313 CONECT 3322 3312 CONECT 3323 3311 CONECT 3324 3310 CONECT 3325 3310 CONECT 3326 3304 CONECT 3327 3303 CONECT 3328 3301 CONECT 3329 3301 CONECT 3330 3299 CONECT 3331 3298 CONECT 3332 3297 CONECT 3333 3296 CONECT 3334 3296 CONECT 3335 3295 CONECT 3336 3294 CONECT 3337 3293 MASTER 0 0 0 0 0 0 0 0 3334 3 72 27 END
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Related entries of code: 6r1c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
5oh2
RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_1|Chains... at 100%
5oh4
RCSB PDB
PDBbind
125aa, >5OH4_1|Chains... at 100%
5oh7
RCSB PDB
PDBbind
125aa, >5OH7_1|Chains... at 100%
5oh9
RCSB PDB
PDBbind
125aa, >5OH9_1|Chains... at 100%
5oha
RCSB PDB
PDBbind
125aa, >5OHA_1|Chains... at 100%
6r1x
RCSB PDB
PDBbind
125aa, >6R1X_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_1|Chains... at 100%
6r1k
RCSB PDB
PDBbind
125aa, >6R1K_1|Chains... at 100%
6r1d
RCSB PDB
PDBbind
125aa, >6R1D_1|Chains... at 100%
6r1a
RCSB PDB
PDBbind
125aa, >6R1A_1|Chains... at 100%
6r18
RCSB PDB
PDBbind
125aa, >6R18_1|Chains... at 100%
6r13
RCSB PDB
PDBbind
125aa, >6R13_1|Chains... at 100%
6r12
RCSB PDB
PDBbind
125aa, >6R12_1|Chains... at 100%
6r0s
RCSB PDB
PDBbind
125aa, >6R0S_1|Chains... at 100%
6r0u
RCSB PDB
PDBbind
125aa, >6R0U_1|Chains... at 100%
6r0v
RCSB PDB
PDBbind
125aa, >6R0V_1|Chains... at 100%
6r11
RCSB PDB
PDBbind
125aa, >6R11_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
6r1c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cereblon isoform 4
Ligand Name
JOW
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Ki=12uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 6615-6629
Ligand Properties
Formula
C
1
7
H
1
9
N
3
O
7
Molecular Weight
377.349
Exact Mass
377.122
No. of atoms
46
No. of bonds
47
Polar Surface Area
150.9
LOGP Value
0.29 (
Computed with XLOGP3
)
0.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
Canonical SMILES
O=C(NCc1ccc(cc1)COC(=O)N[C@H]1CC(=O)NC1=O)CCC(=O)O
InChI String
InChI=1S/C17H19N3O7/c21-13(5-6-15(23)24)18-8-10-1-3-11(4-2-10)9-27-17(26)19-12-7-14(22)20-16(12)25/h1-4,12H,5-9H2,(H,18,21)(H,19,26)(H,23,24)(H,20,22,25)/t12-/m0/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):
A4TVL0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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