Browse entries in the PDBbind-CN Database
HEADER 6R0U_COMPLEX COMPND 6R0U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 ALA PRO GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY SEQRES 2 A 109 GLN THR ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY SEQRES 3 A 109 GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET SEQRES 4 A 109 ILE PHE ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU SEQRES 5 A 109 ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE SEQRES 6 A 109 LYS GLY TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS SEQRES 7 A 109 GLY SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN SEQRES 8 A 109 PRO GLN THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA SEQRES 9 A 109 GLU GLY PRO ALA ASP SEQRES 1 B 105 ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR ILE SEQRES 2 B 105 SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP HIS SEQRES 3 B 105 GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE ARG SEQRES 4 B 105 VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU ILE SEQRES 5 B 105 GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY TYR SEQRES 6 B 105 ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER HIS SEQRES 7 B 105 LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN THR SEQRES 8 B 105 PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY PRO SEQRES 9 B 105 ALA SEQRES 1 C 106 GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR SEQRES 2 C 106 ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP SEQRES 3 C 106 HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE SEQRES 4 C 106 ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU SEQRES 5 C 106 ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY SEQRES 6 C 106 TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER SEQRES 7 C 106 HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN SEQRES 8 C 106 THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY SEQRES 9 C 106 PRO ALA HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET JO A 5 28 ATOM 1 N ALA A 16 11.263 12.595 26.867 1.00 50.50 N ATOM 2 CA ALA A 16 12.626 13.227 26.706 1.00 47.25 C ATOM 3 C ALA A 16 13.526 12.581 25.625 1.00 47.93 C ATOM 4 O ALA A 16 14.676 12.214 25.901 1.00 45.33 O ATOM 5 CB ALA A 16 13.370 13.207 28.043 1.00 48.08 C ATOM 6 HN3 ALA A 16 11.375 11.595 27.131 1.00 0.00 H ATOM 7 HN2 ALA A 16 10.743 12.661 25.969 1.00 0.00 H ATOM 8 HN1 ALA A 16 10.736 13.095 27.611 1.00 0.00 H ATOM 9 N PRO A 17 13.025 12.448 24.390 1.00 48.08 N ATOM 10 CA PRO A 17 13.931 11.848 23.386 1.00 46.87 C ATOM 11 C PRO A 17 15.102 12.776 23.037 1.00 42.79 C ATOM 12 O PRO A 17 14.923 13.986 22.993 1.00 41.52 O ATOM 13 CB PRO A 17 13.011 11.629 22.136 1.00 48.08 C ATOM 14 CG PRO A 17 11.869 12.600 22.329 1.00 48.50 C ATOM 15 CD PRO A 17 11.706 12.821 23.824 1.00 49.77 C ATOM 16 N GLY A 18 16.266 12.193 22.746 1.00 41.32 N ATOM 17 CA GLY A 18 17.494 12.947 22.401 1.00 39.49 C ATOM 18 C GLY A 18 17.806 12.913 20.924 1.00 41.20 C ATOM 19 O GLY A 18 18.837 13.409 20.521 1.00 43.62 O ATOM 20 H GLY A 18 16.314 11.154 22.762 1.00 0.00 H ATOM 21 N ALA A 19 16.917 12.378 20.098 1.00 43.13 N ATOM 22 CA ALA A 19 17.178 12.203 18.647 1.00 44.97 C ATOM 23 C ALA A 19 16.016 12.660 17.801 1.00 44.51 C ATOM 24 O ALA A 19 15.577 11.960 16.929 1.00 54.28 O ATOM 25 CB ALA A 19 17.499 10.727 18.359 1.00 46.94 C ATOM 26 H ALA A 19 16.001 12.069 20.482 1.00 0.00 H ATOM 27 N SER A 20 15.557 13.858 18.053 1.00 40.60 N ATOM 28 CA SER A 20 14.292 14.303 17.548 1.00 39.68 C ATOM 29 C SER A 20 14.485 15.370 16.463 1.00 35.17 C ATOM 30 O SER A 20 13.761 15.295 15.459 1.00 34.09 O ATOM 31 CB SER A 20 13.358 14.697 18.722 1.00 42.38 C ATOM 32 OG SER A 20 12.445 15.641 18.313 1.00 45.53 O ATOM 33 HG SER A 20 11.858 15.881 19.073 1.00 0.00 H ATOM 34 H SER A 20 16.125 14.505 18.636 1.00 0.00 H ATOM 35 N ILE A 21 15.449 16.269 16.618 1.00 31.30 N ATOM 36 CA ILE A 21 15.534 17.518 15.825 1.00 31.02 C ATOM 37 C ILE A 21 16.939 17.545 15.186 1.00 25.94 C ATOM 38 O ILE A 21 17.901 17.085 15.803 1.00 25.31 O ATOM 39 CB ILE A 21 15.459 18.710 16.809 1.00 34.54 C ATOM 40 CG1 ILE A 21 14.085 18.797 17.446 1.00 41.48 C ATOM 41 CG2 ILE A 21 15.758 20.058 16.213 1.00 37.04 C ATOM 42 CD1 ILE A 21 12.938 18.945 16.507 1.00 40.69 C ATOM 43 H ILE A 21 16.182 16.088 17.333 1.00 0.00 H ATOM 44 N PHE A 22 17.045 17.967 13.940 1.00 21.84 N ATOM 45 CA PHE A 22 18.282 18.208 13.300 1.00 21.47 C ATOM 46 C PHE A 22 18.524 19.727 13.201 1.00 21.96 C ATOM 47 O PHE A 22 17.671 20.450 12.701 1.00 21.93 O ATOM 48 CB PHE A 22 18.311 17.626 11.895 1.00 20.62 C ATOM 49 CG PHE A 22 18.267 16.143 11.865 1.00 23.19 C ATOM 50 CD1 PHE A 22 19.437 15.400 12.058 1.00 25.15 C ATOM 51 CD2 PHE A 22 17.074 15.452 11.641 1.00 24.13 C ATOM 52 CE1 PHE A 22 19.410 14.032 12.042 1.00 25.44 C ATOM 53 CE2 PHE A 22 17.063 14.081 11.605 1.00 24.06 C ATOM 54 CZ PHE A 22 18.197 13.378 11.822 1.00 24.44 C ATOM 55 H PHE A 22 16.171 18.131 13.400 1.00 0.00 H ATOM 56 N ARG A 23 19.719 20.162 13.658 1.00 19.35 N ATOM 57 CA ARG A 23 20.169 21.504 13.622 1.00 20.39 C ATOM 58 C ARG A 23 21.387 21.658 12.738 1.00 19.90 C ATOM 59 O ARG A 23 22.126 20.739 12.584 1.00 19.91 O ATOM 60 CB ARG A 23 20.529 22.022 15.028 1.00 21.30 C ATOM 61 CG ARG A 23 19.291 22.128 15.898 1.00 22.61 C ATOM 62 CD ARG A 23 19.614 22.737 17.300 1.00 23.93 C ATOM 63 NE ARG A 23 18.364 22.874 18.059 1.00 25.64 N ATOM 64 CZ ARG A 23 17.427 23.764 17.835 1.00 26.45 C ATOM 65 NH1 ARG A 23 17.641 24.802 17.028 1.00 26.95 N ATOM 66 NH2 ARG A 23 16.303 23.698 18.545 1.00 28.59 N ATOM 67 HE ARG A 23 18.208 22.207 18.842 1.00 0.00 H ATOM 68 HH12 ARG A 23 16.885 25.497 16.863 1.00 0.00 H ATOM 69 HH11 ARG A 23 18.564 24.917 16.563 1.00 0.00 H ATOM 70 HH22 ARG A 23 15.546 24.393 18.385 1.00 0.00 H ATOM 71 HH21 ARG A 23 16.182 22.952 19.259 1.00 0.00 H ATOM 72 H ARG A 23 20.360 19.454 14.069 1.00 0.00 H ATOM 73 N CYS A 24 21.627 22.858 12.228 1.00 20.39 N ATOM 74 CA CYS A 24 22.858 23.148 11.531 1.00 20.19 C ATOM 75 C CYS A 24 24.060 22.904 12.502 1.00 20.30 C ATOM 76 O CYS A 24 24.043 23.439 13.579 1.00 20.64 O ATOM 77 CB CYS A 24 22.882 24.572 11.063 1.00 21.50 C ATOM 78 SG CYS A 24 24.500 25.009 10.259 1.00 20.67 S ATOM 79 H CYS A 24 20.913 23.607 12.332 1.00 0.00 H ATOM 80 N ARG A 25 25.028 22.086 12.069 1.00 18.59 N ATOM 81 CA ARG A 25 26.169 21.751 12.914 1.00 21.53 C ATOM 82 C ARG A 25 27.061 22.978 13.211 1.00 21.94 C ATOM 83 O ARG A 25 27.715 23.004 14.261 1.00 23.49 O ATOM 84 CB ARG A 25 26.976 20.624 12.270 1.00 22.33 C ATOM 85 CG ARG A 25 28.212 20.202 12.944 1.00 22.35 C ATOM 86 CD ARG A 25 28.906 19.150 12.089 1.00 22.58 C ATOM 87 NE ARG A 25 30.179 18.892 12.679 1.00 24.53 N ATOM 88 CZ ARG A 25 31.050 17.964 12.254 1.00 24.42 C ATOM 89 NH1 ARG A 25 30.726 17.176 11.246 1.00 23.82 N ATOM 90 NH2 ARG A 25 32.186 17.876 12.889 1.00 27.11 N ATOM 91 HE ARG A 25 30.453 19.467 13.501 1.00 0.00 H ATOM 92 HH12 ARG A 25 31.398 16.455 10.913 1.00 0.00 H ATOM 93 HH11 ARG A 25 29.799 17.276 10.785 1.00 0.00 H ATOM 94 HH22 ARG A 25 32.893 17.172 12.596 1.00 0.00 H ATOM 95 HH21 ARG A 25 32.385 18.510 13.689 1.00 0.00 H ATOM 96 H ARG A 25 24.965 21.682 11.113 1.00 0.00 H ATOM 97 N GLN A 26 27.053 23.988 12.346 1.00 22.43 N ATOM 98 CA GLN A 26 27.883 25.164 12.515 1.00 25.85 C ATOM 99 C GLN A 26 27.307 26.249 13.374 1.00 26.19 C ATOM 100 O GLN A 26 28.067 26.950 14.044 1.00 30.17 O ATOM 101 CB GLN A 26 28.278 25.733 11.156 1.00 27.93 C ATOM 102 CG GLN A 26 29.001 24.691 10.367 1.00 29.23 C ATOM 103 CD GLN A 26 30.323 24.241 11.007 1.00 32.09 C ATOM 104 OE1 GLN A 26 30.977 24.979 11.730 1.00 35.68 O ATOM 105 NE2 GLN A 26 30.616 22.991 10.865 1.00 38.84 N ATOM 106 HE22 GLN A 26 30.040 22.389 10.242 1.00 0.00 H ATOM 107 HE21 GLN A 26 31.428 22.586 11.373 1.00 0.00 H ATOM 108 H GLN A 26 26.428 23.932 11.517 1.00 0.00 H ATOM 109 N CYS A 27 25.994 26.370 13.472 1.00 23.45 N ATOM 110 CA CYS A 27 25.374 27.497 14.193 1.00 23.65 C ATOM 111 C CYS A 27 24.185 27.144 15.042 1.00 24.44 C ATOM 112 O CYS A 27 23.706 28.020 15.797 1.00 26.38 O ATOM 113 CB CYS A 27 25.029 28.657 13.267 1.00 22.65 C ATOM 114 SG CYS A 27 23.584 28.194 12.196 1.00 21.84 S ATOM 115 H CYS A 27 25.384 25.653 13.030 1.00 0.00 H ATOM 116 N GLY A 28 23.622 25.945 14.895 1.00 24.06 N ATOM 117 CA GLY A 28 22.431 25.560 15.642 1.00 22.43 C ATOM 118 C GLY A 28 21.061 25.887 15.077 1.00 22.78 C ATOM 119 O GLY A 28 20.047 25.602 15.692 1.00 23.01 O ATOM 120 H GLY A 28 24.044 25.266 14.230 1.00 0.00 H ATOM 121 N GLN A 29 20.986 26.557 13.941 1.00 22.38 N ATOM 122 CA GLN A 29 19.697 26.777 13.279 1.00 22.79 C ATOM 123 C GLN A 29 18.858 25.495 13.171 1.00 21.07 C ATOM 124 O GLN A 29 19.382 24.523 12.739 1.00 21.10 O ATOM 125 CB GLN A 29 19.961 27.344 11.869 1.00 23.71 C ATOM 126 CG GLN A 29 18.731 27.474 10.983 1.00 24.46 C ATOM 127 CD GLN A 29 18.100 28.836 11.089 1.00 27.18 C ATOM 128 OE1 GLN A 29 17.921 29.377 12.162 1.00 26.20 O ATOM 129 NE2 GLN A 29 17.776 29.431 9.882 1.00 29.56 N ATOM 130 HE22 GLN A 29 17.949 28.925 8.990 1.00 0.00 H ATOM 131 HE21 GLN A 29 17.359 30.384 9.867 1.00 0.00 H ATOM 132 H GLN A 29 21.854 26.934 13.510 1.00 0.00 H ATOM 133 N THR A 30 17.605 25.527 13.557 1.00 22.88 N ATOM 134 CA THR A 30 16.697 24.401 13.378 1.00 23.46 C ATOM 135 C THR A 30 16.460 24.109 11.892 1.00 21.52 C ATOM 136 O THR A 30 16.136 25.073 11.162 1.00 22.00 O ATOM 137 CB THR A 30 15.276 24.674 14.005 1.00 28.18 C ATOM 138 OG1 THR A 30 15.370 25.399 15.236 1.00 33.71 O ATOM 139 CG2 THR A 30 14.577 23.325 14.120 1.00 28.47 C ATOM 140 HG1 THR A 30 14.461 25.551 15.598 1.00 0.00 H ATOM 141 H THR A 30 17.244 26.391 14.009 1.00 0.00 H ATOM 142 N ILE A 31 16.696 22.871 11.456 1.00 20.75 N ATOM 143 CA ILE A 31 16.613 22.497 10.048 1.00 20.22 C ATOM 144 C ILE A 31 15.529 21.424 9.733 1.00 20.77 C ATOM 145 O ILE A 31 14.717 21.618 8.840 1.00 21.38 O ATOM 146 CB ILE A 31 17.924 22.029 9.413 1.00 19.90 C ATOM 147 CG1 ILE A 31 19.024 23.057 9.613 1.00 20.16 C ATOM 148 CG2 ILE A 31 17.717 21.745 7.915 1.00 20.16 C ATOM 149 CD1 ILE A 31 18.816 24.403 8.930 1.00 21.65 C ATOM 150 H ILE A 31 16.950 22.140 12.150 1.00 0.00 H ATOM 151 N SER A 32 15.517 20.330 10.431 1.00 22.58 N ATOM 152 CA SER A 32 14.534 19.301 10.165 1.00 24.24 C ATOM 153 C SER A 32 14.353 18.394 11.376 1.00 25.98 C ATOM 154 O SER A 32 14.769 18.767 12.482 1.00 23.74 O ATOM 155 CB SER A 32 14.917 18.486 8.906 1.00 23.13 C ATOM 156 OG SER A 32 13.839 17.774 8.395 1.00 25.11 O ATOM 157 HG SER A 32 13.117 18.404 8.147 1.00 0.00 H ATOM 158 H SER A 32 16.218 20.192 11.186 1.00 0.00 H ATOM 159 N ARG A 33 13.634 17.279 11.175 1.00 26.69 N ATOM 160 CA ARG A 33 13.227 16.395 12.263 1.00 28.72 C ATOM 161 C ARG A 33 13.347 14.979 11.757 1.00 28.37 C ATOM 162 O ARG A 33 13.142 14.681 10.564 1.00 27.91 O ATOM 163 CB ARG A 33 11.800 16.654 12.737 1.00 32.55 C ATOM 164 CG ARG A 33 11.425 18.102 12.942 1.00 36.05 C ATOM 165 CD ARG A 33 9.978 18.260 13.494 1.00 41.28 C ATOM 166 NE ARG A 33 9.852 17.634 14.805 1.00 46.53 N ATOM 167 CZ ARG A 33 9.876 18.283 15.981 1.00 52.60 C ATOM 168 NH1 ARG A 33 10.012 19.616 16.049 1.00 55.56 N ATOM 169 NH2 ARG A 33 9.810 17.603 17.105 1.00 52.48 N ATOM 170 HE ARG A 33 9.734 16.601 14.832 1.00 0.00 H ATOM 171 HH12 ARG A 33 10.027 20.091 16.974 1.00 0.00 H ATOM 172 HH11 ARG A 33 10.102 20.175 15.176 1.00 0.00 H ATOM 173 HH22 ARG A 33 9.828 18.103 18.017 1.00 0.00 H ATOM 174 HH21 ARG A 33 9.739 16.566 17.082 1.00 0.00 H ATOM 175 H ARG A 33 13.355 17.034 10.203 1.00 0.00 H ATOM 176 N ARG A 34 13.698 14.077 12.658 1.00 28.18 N ATOM 177 CA ARG A 34 13.759 12.667 12.320 1.00 32.69 C ATOM 178 C ARG A 34 12.411 12.121 11.765 1.00 30.75 C ATOM 179 O ARG A 34 12.415 11.308 10.848 1.00 30.33 O ATOM 180 CB ARG A 34 14.244 11.813 13.508 1.00 35.72 C ATOM 181 CG ARG A 34 14.325 10.323 13.178 1.00 39.89 C ATOM 182 CD ARG A 34 15.181 9.483 14.104 1.00 44.10 C ATOM 183 NE ARG A 34 16.608 9.753 13.889 1.00 43.72 N ATOM 184 CZ ARG A 34 17.406 9.135 13.030 1.00 45.97 C ATOM 185 NH1 ARG A 34 16.984 8.141 12.223 1.00 46.77 N ATOM 186 NH2 ARG A 34 18.675 9.497 12.969 1.00 46.48 N ATOM 187 HE ARG A 34 17.035 10.504 14.468 1.00 0.00 H ATOM 188 HH12 ARG A 34 17.650 7.687 11.565 1.00 0.00 H ATOM 189 HH11 ARG A 34 15.993 7.828 12.258 1.00 0.00 H ATOM 190 HH22 ARG A 34 19.319 9.025 12.302 1.00 0.00 H ATOM 191 HH21 ARG A 34 19.030 10.254 13.588 1.00 0.00 H ATOM 192 H ARG A 34 13.934 14.383 13.624 1.00 0.00 H ATOM 193 N ASP A 35 11.316 12.610 12.306 1.00 30.82 N ATOM 194 CA ASP A 35 9.969 12.287 11.807 1.00 33.56 C ATOM 195 C ASP A 35 9.748 12.590 10.342 1.00 32.71 C ATOM 196 O ASP A 35 8.854 12.017 9.738 1.00 32.21 O ATOM 197 CB ASP A 35 8.923 13.004 12.649 1.00 36.08 C ATOM 198 CG ASP A 35 8.770 12.367 14.027 1.00 39.81 C ATOM 199 OD1 ASP A 35 9.246 11.214 14.265 1.00 44.75 O ATOM 200 OD2 ASP A 35 8.157 12.990 14.892 1.00 43.84 O ATOM 201 H ASP A 35 11.406 13.251 13.120 1.00 0.00 H ATOM 202 N TRP A 36 10.550 13.486 9.770 1.00 29.23 N ATOM 203 CA TRP A 36 10.400 13.921 8.381 1.00 28.62 C ATOM 204 C TRP A 36 11.356 13.207 7.449 1.00 26.28 C ATOM 205 O TRP A 36 11.376 13.506 6.250 1.00 26.33 O ATOM 206 CB TRP A 36 10.544 15.429 8.279 1.00 27.00 C ATOM 207 CG TRP A 36 9.554 16.189 9.054 1.00 30.11 C ATOM 208 CD1 TRP A 36 8.327 15.741 9.539 1.00 31.77 C ATOM 209 CD2 TRP A 36 9.629 17.554 9.413 1.00 32.61 C ATOM 210 NE1 TRP A 36 7.671 16.740 10.174 1.00 35.47 N ATOM 211 CE2 TRP A 36 8.425 17.876 10.118 1.00 33.38 C ATOM 212 CE3 TRP A 36 10.591 18.548 9.231 1.00 32.70 C ATOM 213 CZ2 TRP A 36 8.162 19.172 10.606 1.00 36.35 C ATOM 214 CZ3 TRP A 36 10.330 19.851 9.723 1.00 34.12 C ATOM 215 CH2 TRP A 36 9.135 20.139 10.419 1.00 35.08 C ATOM 216 HE1 TRP A 36 6.741 16.655 10.632 1.00 0.00 H ATOM 217 H TRP A 36 11.319 13.896 10.337 1.00 0.00 H ATOM 218 N LEU A 37 12.115 12.264 7.964 1.00 28.23 N ATOM 219 CA LEU A 37 12.882 11.387 7.061 1.00 30.00 C ATOM 220 C LEU A 37 12.039 10.685 5.968 1.00 32.67 C ATOM 221 O LEU A 37 10.943 10.279 6.220 1.00 33.43 O ATOM 222 CB LEU A 37 13.696 10.380 7.833 1.00 32.32 C ATOM 223 CG LEU A 37 14.935 10.962 8.487 1.00 32.03 C ATOM 224 CD1 LEU A 37 15.526 9.870 9.418 1.00 32.39 C ATOM 225 CD2 LEU A 37 15.961 11.524 7.484 1.00 32.39 C ATOM 226 H LEU A 37 12.173 12.139 8.995 1.00 0.00 H ATOM 227 N LEU A 38 12.509 10.689 4.731 1.00 32.97 N ATOM 228 CA LEU A 38 11.738 10.287 3.547 1.00 33.36 C ATOM 229 C LEU A 38 12.540 9.163 2.843 1.00 36.26 C ATOM 230 O LEU A 38 13.604 9.420 2.277 1.00 34.15 O ATOM 231 CB LEU A 38 11.593 11.462 2.592 1.00 34.47 C ATOM 232 CG LEU A 38 10.998 11.176 1.215 1.00 36.42 C ATOM 233 CD1 LEU A 38 9.555 10.694 1.433 1.00 37.91 C ATOM 234 CD2 LEU A 38 11.053 12.465 0.406 1.00 36.16 C ATOM 235 H LEU A 38 13.492 10.998 4.587 1.00 0.00 H ATOM 236 N PRO A 39 12.027 7.921 2.843 1.00 40.71 N ATOM 237 CA PRO A 39 12.754 6.839 2.147 1.00 42.08 C ATOM 238 C PRO A 39 12.579 6.821 0.610 1.00 42.82 C ATOM 239 O PRO A 39 11.857 5.994 0.093 1.00 53.48 O ATOM 240 CB PRO A 39 12.167 5.582 2.830 1.00 44.95 C ATOM 241 CG PRO A 39 10.708 5.988 3.062 1.00 44.69 C ATOM 242 CD PRO A 39 10.870 7.407 3.604 1.00 42.11 C ATOM 243 N MET A 40 13.295 7.642 -0.126 1.00 40.36 N ATOM 244 CA MET A 40 13.347 7.691 -1.585 1.00 40.39 C ATOM 245 C MET A 40 13.976 6.434 -2.177 1.00 43.69 C ATOM 246 O MET A 40 15.064 6.041 -1.747 1.00 41.75 O ATOM 247 CB MET A 40 14.199 8.884 -2.040 1.00 39.23 C ATOM 248 CG MET A 40 13.572 10.257 -1.795 1.00 41.50 C ATOM 249 SD MET A 40 12.076 10.695 -2.707 1.00 46.70 S ATOM 250 CE MET A 40 12.691 10.570 -4.396 1.00 40.06 C ATOM 251 H MET A 40 13.886 8.329 0.384 1.00 0.00 H ATOM 252 N GLY A 41 13.304 5.765 -3.105 1.00 42.67 N ATOM 253 CA GLY A 41 13.770 4.476 -3.594 1.00 44.02 C ATOM 254 C GLY A 41 14.051 3.462 -2.496 1.00 44.85 C ATOM 255 O GLY A 41 14.954 2.651 -2.647 1.00 46.04 O ATOM 256 H GLY A 41 12.427 6.170 -3.491 1.00 0.00 H ATOM 257 N GLY A 42 13.309 3.498 -1.380 1.00 45.49 N ATOM 258 CA GLY A 42 13.471 2.504 -0.307 1.00 46.39 C ATOM 259 C GLY A 42 14.512 2.799 0.752 1.00 45.91 C ATOM 260 O GLY A 42 14.743 1.963 1.646 1.00 48.32 O ATOM 261 H GLY A 42 12.599 4.250 -1.269 1.00 0.00 H ATOM 262 N ASP A 43 15.187 3.948 0.679 1.00 44.24 N ATOM 263 CA ASP A 43 16.224 4.264 1.688 1.00 45.38 C ATOM 264 C ASP A 43 16.216 5.776 1.905 1.00 41.11 C ATOM 265 O ASP A 43 16.215 6.539 0.948 1.00 40.55 O ATOM 266 CB ASP A 43 17.605 3.803 1.223 1.00 48.27 C ATOM 267 CG ASP A 43 18.575 3.595 2.399 1.00 51.42 C ATOM 268 OD1 ASP A 43 18.427 4.244 3.489 1.00 51.64 O ATOM 269 OD2 ASP A 43 19.500 2.745 2.252 1.00 55.01 O ATOM 270 H ASP A 43 14.985 4.622 -0.087 1.00 0.00 H ATOM 271 N HIS A 44 16.199 6.208 3.141 1.00 40.70 N ATOM 272 CA HIS A 44 16.353 7.618 3.422 1.00 37.49 C ATOM 273 C HIS A 44 17.821 8.084 3.228 1.00 36.05 C ATOM 274 O HIS A 44 18.016 9.248 2.986 1.00 32.83 O ATOM 275 CB HIS A 44 15.792 7.999 4.787 1.00 37.68 C ATOM 276 CG HIS A 44 16.537 7.465 5.976 1.00 38.31 C ATOM 277 ND1 HIS A 44 17.716 8.019 6.440 1.00 40.50 N ATOM 278 CD2 HIS A 44 16.158 6.581 6.929 1.00 41.09 C ATOM 279 CE1 HIS A 44 18.083 7.417 7.558 1.00 39.92 C ATOM 280 NE2 HIS A 44 17.168 6.524 7.866 1.00 41.26 N ATOM 281 H HIS A 44 16.074 5.534 3.924 1.00 0.00 H ATOM 282 N GLU A 45 18.778 7.164 3.238 1.00 36.53 N ATOM 283 CA GLU A 45 20.190 7.451 2.947 1.00 36.70 C ATOM 284 C GLU A 45 20.659 7.097 1.530 1.00 35.73 C ATOM 285 O GLU A 45 20.418 5.984 1.051 1.00 37.15 O ATOM 286 CB GLU A 45 21.088 6.709 3.930 1.00 37.84 C ATOM 287 CG GLU A 45 22.541 7.135 3.875 1.00 42.04 C ATOM 288 CD GLU A 45 23.338 6.518 4.981 1.00 45.54 C ATOM 289 OE1 GLU A 45 23.497 7.200 6.009 1.00 50.15 O ATOM 290 OE2 GLU A 45 23.629 5.322 4.880 1.00 50.05 O ATOM 291 H GLU A 45 18.514 6.184 3.465 1.00 0.00 H ATOM 292 N HIS A 46 21.295 8.067 0.884 1.00 32.99 N ATOM 293 CA HIS A 46 21.793 7.960 -0.488 1.00 33.73 C ATOM 294 C HIS A 46 23.235 8.448 -0.543 1.00 33.35 C ATOM 295 O HIS A 46 23.534 9.536 -0.080 1.00 32.28 O ATOM 296 CB HIS A 46 20.941 8.782 -1.409 1.00 35.48 C ATOM 297 CG HIS A 46 19.589 8.198 -1.602 1.00 37.64 C ATOM 298 ND1 HIS A 46 19.239 7.510 -2.747 1.00 39.96 N ATOM 299 CD2 HIS A 46 18.504 8.184 -0.803 1.00 38.30 C ATOM 300 CE1 HIS A 46 18.008 7.050 -2.619 1.00 38.17 C ATOM 301 NE2 HIS A 46 17.551 7.424 -1.443 1.00 39.75 N ATOM 302 H HIS A 46 21.450 8.964 1.387 1.00 0.00 H ATOM 303 N VAL A 47 24.144 7.579 -0.971 1.00 33.73 N ATOM 304 CA VAL A 47 25.546 7.938 -1.044 1.00 33.41 C ATOM 305 C VAL A 47 25.885 8.288 -2.483 1.00 31.46 C ATOM 306 O VAL A 47 25.744 7.493 -3.379 1.00 30.90 O ATOM 307 CB VAL A 47 26.492 6.830 -0.529 1.00 37.03 C ATOM 308 CG1 VAL A 47 27.906 7.391 -0.426 1.00 36.49 C ATOM 309 CG2 VAL A 47 26.042 6.281 0.838 1.00 37.94 C ATOM 310 H VAL A 47 23.845 6.625 -1.258 1.00 0.00 H ATOM 311 N VAL A 48 26.388 9.466 -2.700 1.00 29.04 N ATOM 312 CA VAL A 48 26.506 10.076 -4.029 1.00 29.05 C ATOM 313 C VAL A 48 27.797 10.879 -4.144 1.00 28.56 C ATOM 314 O VAL A 48 28.377 11.193 -3.135 1.00 31.38 O ATOM 315 CB VAL A 48 25.316 11.028 -4.298 1.00 27.90 C ATOM 316 CG1 VAL A 48 24.009 10.233 -4.273 1.00 30.92 C ATOM 317 CG2 VAL A 48 25.231 12.139 -3.237 1.00 27.49 C ATOM 318 H VAL A 48 26.728 10.010 -1.881 1.00 0.00 H ATOM 319 N PHE A 49 28.224 11.159 -5.389 1.00 28.21 N ATOM 320 CA PHE A 49 29.382 11.927 -5.680 1.00 27.13 C ATOM 321 C PHE A 49 29.009 13.014 -6.667 1.00 27.30 C ATOM 322 O PHE A 49 28.227 12.780 -7.605 1.00 28.47 O ATOM 323 CB PHE A 49 30.590 10.968 -6.240 1.00 32.37 C ATOM 324 H PHE A 49 27.671 10.790 -6.188 1.00 0.00 H ATOM 325 N ASN A 50 29.594 14.179 -6.536 1.00 27.71 N ATOM 326 CA ASN A 50 29.447 15.251 -7.525 1.00 30.16 C ATOM 327 C ASN A 50 30.605 15.248 -8.571 1.00 32.18 C ATOM 328 O ASN A 50 31.491 14.417 -8.519 1.00 31.75 O ATOM 329 CB ASN A 50 29.255 16.590 -6.772 1.00 29.06 C ATOM 330 CG ASN A 50 30.532 17.103 -6.143 1.00 30.47 C ATOM 331 OD1 ASN A 50 31.620 16.565 -6.350 1.00 32.39 O ATOM 332 ND2 ASN A 50 30.400 18.187 -5.388 1.00 30.19 N ATOM 333 HD22 ASN A 50 29.460 18.607 -5.241 1.00 0.00 H ATOM 334 HD21 ASN A 50 31.237 18.616 -4.943 1.00 0.00 H ATOM 335 H ASN A 50 30.186 14.350 -5.698 1.00 0.00 H ATOM 336 N PRO A 51 30.541 16.153 -9.551 1.00 34.83 N ATOM 337 CA PRO A 51 31.556 16.114 -10.615 1.00 37.15 C ATOM 338 C PRO A 51 32.962 16.409 -10.125 1.00 36.90 C ATOM 339 O PRO A 51 33.879 15.983 -10.776 1.00 41.01 O ATOM 340 CB PRO A 51 31.091 17.184 -11.611 1.00 36.86 C ATOM 341 CG PRO A 51 29.564 17.214 -11.431 1.00 36.42 C ATOM 342 CD PRO A 51 29.393 17.025 -9.934 1.00 35.32 C ATOM 343 N ALA A 52 33.122 17.105 -9.006 1.00 35.97 N ATOM 344 CA ALA A 52 34.391 17.354 -8.396 1.00 36.30 C ATOM 345 C ALA A 52 34.865 16.144 -7.582 1.00 36.54 C ATOM 346 O ALA A 52 35.883 16.222 -6.910 1.00 36.08 O ATOM 347 CB ALA A 52 34.284 18.592 -7.498 1.00 36.77 C ATOM 348 H ALA A 52 32.274 17.492 -8.546 1.00 0.00 H ATOM 349 N GLY A 53 34.098 15.062 -7.581 1.00 34.55 N ATOM 350 CA GLY A 53 34.440 13.854 -6.872 1.00 34.71 C ATOM 351 C GLY A 53 34.162 13.810 -5.394 1.00 34.11 C ATOM 352 O GLY A 53 34.561 12.837 -4.743 1.00 35.54 O ATOM 353 H GLY A 53 33.207 15.086 -8.117 1.00 0.00 H ATOM 354 N MET A 54 33.508 14.827 -4.838 1.00 33.11 N ATOM 355 CA MET A 54 33.155 14.838 -3.413 1.00 33.73 C ATOM 356 C MET A 54 32.083 13.793 -3.187 1.00 33.38 C ATOM 357 O MET A 54 31.077 13.767 -3.923 1.00 32.01 O ATOM 358 CB MET A 54 32.623 16.199 -2.965 1.00 36.06 C ATOM 359 CG MET A 54 33.537 17.367 -3.206 1.00 42.62 C ATOM 360 SD MET A 54 32.931 18.919 -2.515 1.00 52.94 S ATOM 361 CE MET A 54 32.467 19.810 -4.000 1.00 45.31 C ATOM 362 H MET A 54 33.239 15.638 -5.431 1.00 0.00 H ATOM 363 N ILE A 55 32.250 12.994 -2.144 1.00 31.98 N ATOM 364 CA ILE A 55 31.282 12.020 -1.721 1.00 33.92 C ATOM 365 C ILE A 55 30.401 12.637 -0.609 1.00 31.33 C ATOM 366 O ILE A 55 30.891 13.314 0.290 1.00 30.64 O ATOM 367 CB ILE A 55 31.923 10.736 -1.187 1.00 36.99 C ATOM 368 CG1 ILE A 55 30.809 9.714 -0.967 1.00 38.30 C ATOM 369 CG2 ILE A 55 32.592 10.924 0.212 1.00 41.20 C ATOM 370 CD1 ILE A 55 31.249 8.327 -0.628 1.00 40.95 C ATOM 371 H ILE A 55 33.132 13.076 -1.600 1.00 0.00 H ATOM 372 N PHE A 56 29.112 12.382 -0.698 1.00 28.29 N ATOM 373 CA PHE A 56 28.116 12.924 0.292 1.00 27.17 C ATOM 374 C PHE A 56 27.248 11.733 0.690 1.00 28.26 C ATOM 375 O PHE A 56 26.819 10.932 -0.151 1.00 29.07 O ATOM 376 CB PHE A 56 27.233 14.014 -0.284 1.00 25.86 C ATOM 377 CG PHE A 56 27.945 15.223 -0.840 1.00 25.83 C ATOM 378 CD1 PHE A 56 28.357 16.236 -0.032 1.00 28.69 C ATOM 379 CD2 PHE A 56 28.163 15.384 -2.195 1.00 27.84 C ATOM 380 CE1 PHE A 56 29.050 17.346 -0.529 1.00 29.11 C ATOM 381 CE2 PHE A 56 28.876 16.474 -2.682 1.00 28.07 C ATOM 382 CZ PHE A 56 29.287 17.468 -1.849 1.00 28.81 C ATOM 383 H PHE A 56 28.771 11.786 -1.479 1.00 0.00 H ATOM 384 N ARG A 57 26.961 11.636 1.999 1.00 27.68 N ATOM 385 CA ARG A 57 25.974 10.738 2.510 1.00 29.37 C ATOM 386 C ARG A 57 24.787 11.689 2.783 1.00 26.77 C ATOM 387 O ARG A 57 24.851 12.520 3.693 1.00 29.71 O ATOM 388 CB ARG A 57 26.444 10.050 3.755 1.00 35.54 C ATOM 389 CG ARG A 57 27.663 9.202 3.476 1.00 44.61 C ATOM 390 CD ARG A 57 28.171 8.366 4.651 1.00 53.44 C ATOM 391 NE ARG A 57 27.144 7.611 5.379 1.00 58.94 N ATOM 392 CZ ARG A 57 27.411 6.756 6.371 1.00 61.98 C ATOM 393 NH1 ARG A 57 28.662 6.496 6.751 1.00 60.33 N ATOM 394 NH2 ARG A 57 26.404 6.120 6.969 1.00 64.50 N ATOM 395 HE ARG A 57 26.150 7.750 5.107 1.00 0.00 H ATOM 396 HH12 ARG A 57 28.841 5.826 7.526 1.00 0.00 H ATOM 397 HH11 ARG A 57 29.459 6.963 6.272 1.00 0.00 H ATOM 398 HH22 ARG A 57 26.597 5.452 7.742 1.00 0.00 H ATOM 399 HH21 ARG A 57 25.425 6.292 6.662 1.00 0.00 H ATOM 400 H ARG A 57 27.479 12.240 2.669 1.00 0.00 H ATOM 401 N VAL A 58 23.779 11.562 1.926 1.00 26.19 N ATOM 402 CA VAL A 58 22.626 12.428 1.868 1.00 26.29 C ATOM 403 C VAL A 58 21.455 11.707 2.527 1.00 27.01 C ATOM 404 O VAL A 58 21.176 10.535 2.241 1.00 27.36 O ATOM 405 CB VAL A 58 22.250 12.738 0.422 1.00 26.28 C ATOM 406 CG1 VAL A 58 21.004 13.554 0.337 1.00 27.06 C ATOM 407 CG2 VAL A 58 23.381 13.460 -0.253 1.00 26.78 C ATOM 408 H VAL A 58 23.825 10.778 1.244 1.00 0.00 H ATOM 409 N TRP A 59 20.789 12.417 3.455 1.00 24.02 N ATOM 410 CA TRP A 59 19.543 11.913 4.051 1.00 26.21 C ATOM 411 C TRP A 59 18.402 12.750 3.402 1.00 24.99 C ATOM 412 O TRP A 59 18.508 13.959 3.258 1.00 22.87 O ATOM 413 CB TRP A 59 19.561 12.064 5.563 1.00 28.08 C ATOM 414 CG TRP A 59 20.307 10.959 6.230 1.00 32.69 C ATOM 415 CD1 TRP A 59 21.217 10.124 5.612 1.00 37.65 C ATOM 416 CD2 TRP A 59 20.259 10.538 7.578 1.00 38.12 C ATOM 417 NE1 TRP A 59 21.721 9.228 6.492 1.00 41.69 N ATOM 418 CE2 TRP A 59 21.107 9.406 7.689 1.00 40.33 C ATOM 419 CE3 TRP A 59 19.529 10.946 8.691 1.00 44.24 C ATOM 420 CZ2 TRP A 59 21.311 8.716 8.901 1.00 45.50 C ATOM 421 CZ3 TRP A 59 19.686 10.238 9.894 1.00 47.73 C ATOM 422 CH2 TRP A 59 20.592 9.142 9.988 1.00 47.89 C ATOM 423 HE1 TRP A 59 22.456 8.521 6.286 1.00 0.00 H ATOM 424 H TRP A 59 21.162 13.340 3.757 1.00 0.00 H ATOM 425 N CYS A 60 17.360 12.024 2.973 1.00 25.00 N ATOM 426 CA CYS A 60 16.239 12.642 2.303 1.00 25.36 C ATOM 427 C CYS A 60 15.184 12.944 3.332 1.00 25.44 C ATOM 428 O CYS A 60 14.895 12.085 4.180 1.00 24.98 O ATOM 429 CB CYS A 60 15.671 11.732 1.262 1.00 26.84 C ATOM 430 SG CYS A 60 16.851 11.438 -0.095 1.00 30.14 S ATOM 431 H CYS A 60 17.358 10.995 3.126 1.00 0.00 H ATOM 432 N PHE A 61 14.627 14.154 3.257 1.00 23.65 N ATOM 433 CA PHE A 61 13.589 14.627 4.162 1.00 23.80 C ATOM 434 C PHE A 61 12.440 15.190 3.362 1.00 23.20 C ATOM 435 O PHE A 61 12.625 15.851 2.293 1.00 24.93 O ATOM 436 CB PHE A 61 14.112 15.751 5.001 1.00 23.13 C ATOM 437 CG PHE A 61 15.150 15.377 5.988 1.00 23.18 C ATOM 438 CD1 PHE A 61 14.818 14.981 7.282 1.00 23.92 C ATOM 439 CD2 PHE A 61 16.508 15.482 5.660 1.00 23.71 C ATOM 440 CE1 PHE A 61 15.798 14.634 8.200 1.00 24.54 C ATOM 441 CE2 PHE A 61 17.508 15.160 6.589 1.00 21.87 C ATOM 442 CZ PHE A 61 17.173 14.747 7.855 1.00 23.42 C ATOM 443 H PHE A 61 14.953 14.797 2.508 1.00 0.00 H ATOM 444 N SER A 62 11.206 14.915 3.822 1.00 24.54 N ATOM 445 CA SER A 62 10.043 15.502 3.172 1.00 25.61 C ATOM 446 C SER A 62 9.943 17.008 3.307 1.00 25.97 C ATOM 447 O SER A 62 9.411 17.655 2.419 1.00 25.78 O ATOM 448 CB SER A 62 8.796 14.834 3.697 1.00 27.31 C ATOM 449 OG SER A 62 8.828 13.493 3.255 1.00 27.31 O ATOM 450 HG SER A 62 8.022 13.020 3.581 1.00 0.00 H ATOM 451 H SER A 62 11.083 14.285 4.640 1.00 0.00 H ATOM 452 N LEU A 63 10.465 17.560 4.432 1.00 26.01 N ATOM 453 CA LEU A 63 10.333 18.943 4.807 1.00 25.60 C ATOM 454 C LEU A 63 11.593 19.342 5.519 1.00 24.67 C ATOM 455 O LEU A 63 12.305 18.518 6.154 1.00 24.21 O ATOM 456 CB LEU A 63 9.223 18.994 5.867 1.00 29.48 C ATOM 457 CG LEU A 63 8.511 20.144 6.326 1.00 35.19 C ATOM 458 CD1 LEU A 63 8.083 20.892 5.119 1.00 38.82 C ATOM 459 CD2 LEU A 63 7.304 19.612 7.110 1.00 37.28 C ATOM 460 H LEU A 63 11.000 16.937 5.070 1.00 0.00 H ATOM 461 N ALA A 64 11.857 20.614 5.478 1.00 23.67 N ATOM 462 CA ALA A 64 12.938 21.245 6.228 1.00 24.01 C ATOM 463 C ALA A 64 12.597 22.681 6.346 1.00 22.62 C ATOM 464 O ALA A 64 11.736 23.174 5.614 1.00 25.99 O ATOM 465 CB ALA A 64 14.291 21.062 5.529 1.00 23.47 C ATOM 466 H ALA A 64 11.263 21.218 4.875 1.00 0.00 H ATOM 467 N GLN A 65 13.274 23.368 7.245 1.00 21.86 N ATOM 468 CA GLN A 65 13.060 24.800 7.492 1.00 23.96 C ATOM 469 C GLN A 65 14.380 25.441 7.755 1.00 22.11 C ATOM 470 O GLN A 65 15.389 24.729 7.902 1.00 21.92 O ATOM 471 CB GLN A 65 12.192 24.942 8.764 1.00 27.41 C ATOM 472 CG GLN A 65 12.802 24.339 10.031 1.00 29.75 C ATOM 473 CD GLN A 65 11.834 24.410 11.200 1.00 33.89 C ATOM 474 OE1 GLN A 65 11.599 25.468 11.770 1.00 40.07 O ATOM 475 NE2 GLN A 65 11.287 23.277 11.558 1.00 36.05 N ATOM 476 HE22 GLN A 65 11.517 22.403 11.043 1.00 0.00 H ATOM 477 HE21 GLN A 65 10.622 23.250 12.357 1.00 0.00 H ATOM 478 H GLN A 65 13.995 22.872 7.807 1.00 0.00 H ATOM 479 N GLY A 66 14.431 26.739 7.854 1.00 23.57 N ATOM 480 CA GLY A 66 15.675 27.406 8.254 1.00 23.91 C ATOM 481 C GLY A 66 16.758 27.445 7.193 1.00 23.37 C ATOM 482 O GLY A 66 17.864 27.825 7.494 1.00 25.53 O ATOM 483 H GLY A 66 13.584 27.306 7.648 1.00 0.00 H ATOM 484 N LEU A 67 16.438 27.110 5.978 1.00 22.32 N ATOM 485 CA LEU A 67 17.351 27.071 4.856 1.00 21.67 C ATOM 486 C LEU A 67 17.102 28.286 4.018 1.00 23.70 C ATOM 487 O LEU A 67 16.114 28.994 4.179 1.00 25.63 O ATOM 488 CB LEU A 67 17.165 25.809 3.991 1.00 20.78 C ATOM 489 CG LEU A 67 17.432 24.519 4.660 1.00 20.72 C ATOM 490 CD1 LEU A 67 16.794 23.342 3.969 1.00 21.28 C ATOM 491 CD2 LEU A 67 18.959 24.299 4.956 1.00 21.44 C ATOM 492 H LEU A 67 15.447 26.849 5.798 1.00 0.00 H ATOM 493 N ARG A 68 18.012 28.504 3.083 1.00 22.78 N ATOM 494 CA ARG A 68 17.848 29.465 2.029 1.00 23.99 C ATOM 495 C ARG A 68 18.230 28.747 0.760 1.00 24.92 C ATOM 496 O ARG A 68 19.333 28.245 0.618 1.00 22.08 O ATOM 497 CB ARG A 68 18.755 30.675 2.254 1.00 24.53 C ATOM 498 H ARG A 68 18.892 27.951 3.113 1.00 0.00 H ATOM 499 N LEU A 69 17.263 28.727 -0.172 1.00 25.87 N ATOM 500 CA LEU A 69 17.408 28.031 -1.453 1.00 28.14 C ATOM 501 C LEU A 69 17.889 29.038 -2.469 1.00 30.98 C ATOM 502 O LEU A 69 17.317 30.103 -2.628 1.00 31.92 O ATOM 503 CB LEU A 69 16.065 27.414 -1.840 1.00 28.06 C ATOM 504 CG LEU A 69 15.435 26.502 -0.836 1.00 29.54 C ATOM 505 CD1 LEU A 69 14.214 25.789 -1.411 1.00 31.93 C ATOM 506 CD2 LEU A 69 16.461 25.525 -0.255 1.00 27.11 C ATOM 507 H LEU A 69 16.373 29.227 0.024 1.00 0.00 H ATOM 508 N ILE A 70 18.993 28.752 -3.136 1.00 30.95 N ATOM 509 CA ILE A 70 19.693 29.702 -3.933 1.00 33.33 C ATOM 510 C ILE A 70 19.532 29.403 -5.424 1.00 34.07 C ATOM 511 O ILE A 70 19.713 28.270 -5.840 1.00 33.30 O ATOM 512 CB ILE A 70 21.164 29.533 -3.664 1.00 35.71 C ATOM 513 CG1 ILE A 70 21.472 29.677 -2.175 1.00 36.89 C ATOM 514 CG2 ILE A 70 21.976 30.552 -4.444 1.00 39.40 C ATOM 515 CD1 ILE A 70 20.961 30.998 -1.618 1.00 36.80 C ATOM 516 H ILE A 70 19.370 27.784 -3.076 1.00 0.00 H ATOM 517 N GLY A 71 19.125 30.435 -6.188 1.00 35.72 N ATOM 518 CA GLY A 71 19.081 30.311 -7.642 1.00 37.96 C ATOM 519 C GLY A 71 17.896 29.559 -8.179 1.00 39.63 C ATOM 520 O GLY A 71 16.936 29.275 -7.444 1.00 45.93 O ATOM 521 H GLY A 71 18.840 31.328 -5.738 1.00 0.00 H ATOM 522 N ALA A 72 17.933 29.261 -9.467 1.00 39.66 N ATOM 523 CA ALA A 72 16.855 28.567 -10.128 1.00 38.74 C ATOM 524 C ALA A 72 17.240 27.077 -10.265 1.00 34.98 C ATOM 525 O ALA A 72 18.409 26.754 -10.288 1.00 34.09 O ATOM 526 CB ALA A 72 16.594 29.200 -11.477 1.00 40.30 C ATOM 527 H ALA A 72 18.768 29.537 -10.022 1.00 0.00 H ATOM 528 N PRO A 73 16.228 26.195 -10.366 1.00 32.24 N ATOM 529 CA PRO A 73 16.510 24.777 -10.379 1.00 31.51 C ATOM 530 C PRO A 73 17.324 24.351 -11.583 1.00 31.70 C ATOM 531 O PRO A 73 17.190 24.927 -12.666 1.00 34.72 O ATOM 532 CB PRO A 73 15.147 24.125 -10.342 1.00 32.41 C ATOM 533 CG PRO A 73 14.185 25.207 -9.926 1.00 33.07 C ATOM 534 CD PRO A 73 14.779 26.471 -10.338 1.00 33.23 C ATOM 535 N SER A 74 18.082 23.300 -11.443 1.00 29.05 N ATOM 536 CA SER A 74 18.840 22.715 -12.540 1.00 29.12 C ATOM 537 C SER A 74 18.664 21.222 -12.523 1.00 27.99 C ATOM 538 O SER A 74 18.678 20.622 -11.444 1.00 26.55 O ATOM 539 CB SER A 74 20.321 23.028 -12.405 1.00 30.09 C ATOM 540 OG SER A 74 21.063 22.395 -13.476 1.00 33.60 O ATOM 541 HG SER A 74 22.025 22.605 -13.378 1.00 0.00 H ATOM 542 H SER A 74 18.149 22.858 -10.504 1.00 0.00 H ATOM 543 N GLY A 75 18.557 20.600 -13.677 1.00 28.34 N ATOM 544 CA GLY A 75 18.563 19.174 -13.798 1.00 28.67 C ATOM 545 C GLY A 75 19.921 18.546 -14.038 1.00 31.03 C ATOM 546 O GLY A 75 20.029 17.341 -14.004 1.00 29.46 O ATOM 547 H GLY A 75 18.464 21.171 -14.541 1.00 0.00 H ATOM 548 N GLU A 76 20.955 19.364 -14.245 1.00 34.61 N ATOM 549 CA GLU A 76 22.332 18.877 -14.541 1.00 37.69 C ATOM 550 C GLU A 76 22.870 17.991 -13.380 1.00 32.77 C ATOM 551 O GLU A 76 22.796 18.378 -12.224 1.00 30.99 O ATOM 552 CB GLU A 76 23.308 20.049 -14.771 1.00 44.07 C ATOM 553 CG GLU A 76 24.234 19.837 -15.994 1.00 53.87 C ATOM 554 CD GLU A 76 25.499 20.709 -16.058 1.00 59.05 C ATOM 555 OE1 GLU A 76 25.688 21.639 -15.234 1.00 63.83 O ATOM 556 OE2 GLU A 76 26.307 20.444 -16.985 1.00 64.95 O ATOM 557 H GLU A 76 20.792 20.390 -14.197 1.00 0.00 H ATOM 558 N PHE A 77 23.287 16.789 -13.701 1.00 32.34 N ATOM 559 CA PHE A 77 23.900 15.828 -12.755 1.00 31.73 C ATOM 560 C PHE A 77 22.994 15.404 -11.598 1.00 29.05 C ATOM 561 O PHE A 77 23.497 15.009 -10.567 1.00 28.76 O ATOM 562 CB PHE A 77 25.221 16.384 -12.159 1.00 34.39 C ATOM 563 CG PHE A 77 26.183 16.891 -13.160 1.00 36.39 C ATOM 564 CD1 PHE A 77 26.776 16.032 -14.016 1.00 38.73 C ATOM 565 CD2 PHE A 77 26.441 18.247 -13.271 1.00 37.96 C ATOM 566 CE1 PHE A 77 27.671 16.454 -14.954 1.00 41.75 C ATOM 567 CE2 PHE A 77 27.379 18.703 -14.190 1.00 40.54 C ATOM 568 CZ PHE A 77 28.004 17.789 -15.029 1.00 42.21 C ATOM 569 H PHE A 77 23.179 16.489 -14.691 1.00 0.00 H ATOM 570 N SER A 78 21.673 15.550 -11.706 1.00 27.29 N ATOM 571 CA SER A 78 20.811 15.197 -10.622 1.00 25.20 C ATOM 572 C SER A 78 20.961 13.794 -10.228 1.00 25.49 C ATOM 573 O SER A 78 20.870 12.935 -11.032 1.00 26.95 O ATOM 574 CB SER A 78 19.342 15.478 -10.910 1.00 26.17 C ATOM 575 OG SER A 78 18.533 15.244 -9.757 1.00 24.55 O ATOM 576 HG SER A 78 17.586 15.435 -9.975 1.00 0.00 H ATOM 577 H SER A 78 21.266 15.924 -12.587 1.00 0.00 H ATOM 578 N TRP A 79 21.134 13.580 -8.929 1.00 25.90 N ATOM 579 CA TRP A 79 21.202 12.287 -8.322 1.00 27.24 C ATOM 580 C TRP A 79 19.861 11.600 -8.239 1.00 29.42 C ATOM 581 O TRP A 79 19.797 10.430 -7.925 1.00 30.17 O ATOM 582 CB TRP A 79 21.819 12.357 -6.964 1.00 27.07 C ATOM 583 CG TRP A 79 23.224 12.831 -6.948 1.00 26.41 C ATOM 584 CD1 TRP A 79 24.246 12.415 -7.716 1.00 27.38 C ATOM 585 CD2 TRP A 79 23.744 13.817 -6.040 1.00 25.31 C ATOM 586 NE1 TRP A 79 25.403 13.093 -7.363 1.00 27.46 N ATOM 587 CE2 TRP A 79 25.129 13.941 -6.319 1.00 26.95 C ATOM 588 CE3 TRP A 79 23.180 14.583 -5.019 1.00 24.47 C ATOM 589 CZ2 TRP A 79 25.933 14.799 -5.621 1.00 25.83 C ATOM 590 CZ3 TRP A 79 23.963 15.444 -4.332 1.00 24.08 C ATOM 591 CH2 TRP A 79 25.327 15.556 -4.628 1.00 26.44 C ATOM 592 HE1 TRP A 79 26.331 12.977 -7.817 1.00 0.00 H ATOM 593 H TRP A 79 21.226 14.411 -8.310 1.00 0.00 H ATOM 594 N PHE A 80 18.757 12.303 -8.516 1.00 26.90 N ATOM 595 CA PHE A 80 17.442 11.704 -8.322 1.00 28.20 C ATOM 596 C PHE A 80 16.702 11.944 -9.602 1.00 26.90 C ATOM 597 O PHE A 80 16.401 13.090 -9.946 1.00 25.35 O ATOM 598 CB PHE A 80 16.762 12.391 -7.147 1.00 27.45 C ATOM 599 CG PHE A 80 17.450 12.165 -5.842 1.00 26.33 C ATOM 600 CD1 PHE A 80 17.251 10.969 -5.152 1.00 29.10 C ATOM 601 CD2 PHE A 80 18.242 13.111 -5.297 1.00 24.43 C ATOM 602 CE1 PHE A 80 17.759 10.805 -3.879 1.00 28.59 C ATOM 603 CE2 PHE A 80 18.815 12.918 -4.025 1.00 26.12 C ATOM 604 CZ PHE A 80 18.622 11.715 -3.341 1.00 27.43 C ATOM 605 H PHE A 80 18.837 13.278 -8.870 1.00 0.00 H ATOM 606 N LYS A 81 16.412 10.854 -10.311 1.00 29.54 N ATOM 607 CA LYS A 81 15.846 10.940 -11.657 1.00 31.11 C ATOM 608 C LYS A 81 14.523 11.675 -11.661 1.00 29.74 C ATOM 609 O LYS A 81 13.658 11.434 -10.786 1.00 27.91 O ATOM 610 CB LYS A 81 15.722 9.549 -12.229 1.00 35.35 C ATOM 611 CG LYS A 81 14.721 9.378 -13.373 1.00 41.91 C ATOM 612 CD LYS A 81 14.957 8.105 -14.181 1.00 47.12 C ATOM 613 CE LYS A 81 14.405 8.270 -15.591 1.00 51.75 C ATOM 614 NZ LYS A 81 15.093 9.396 -16.309 1.00 54.30 N ATOM 615 HZ1 LYS A 81 14.943 10.282 -15.785 1.00 0.00 H ATOM 616 HZ2 LYS A 81 16.112 9.196 -16.370 1.00 0.00 H ATOM 617 HZ3 LYS A 81 14.698 9.487 -17.267 1.00 0.00 H ATOM 618 H LYS A 81 16.593 9.917 -9.897 1.00 0.00 H ATOM 619 N GLY A 82 14.404 12.633 -12.583 1.00 29.03 N ATOM 620 CA GLY A 82 13.221 13.466 -12.693 1.00 27.99 C ATOM 621 C GLY A 82 13.105 14.662 -11.801 1.00 26.80 C ATOM 622 O GLY A 82 12.109 15.338 -11.856 1.00 26.43 O ATOM 623 H GLY A 82 15.189 12.788 -13.248 1.00 0.00 H ATOM 624 N TYR A 83 14.147 14.965 -11.020 1.00 24.78 N ATOM 625 CA TYR A 83 14.153 16.124 -10.168 1.00 23.46 C ATOM 626 C TYR A 83 15.242 17.073 -10.532 1.00 24.44 C ATOM 627 O TYR A 83 16.337 16.652 -10.953 1.00 25.25 O ATOM 628 CB TYR A 83 14.352 15.733 -8.720 1.00 23.81 C ATOM 629 CG TYR A 83 13.252 14.892 -8.130 1.00 23.93 C ATOM 630 CD1 TYR A 83 13.318 13.515 -8.227 1.00 25.30 C ATOM 631 CD2 TYR A 83 12.149 15.455 -7.480 1.00 24.84 C ATOM 632 CE1 TYR A 83 12.356 12.684 -7.643 1.00 25.05 C ATOM 633 CE2 TYR A 83 11.183 14.703 -6.916 1.00 23.94 C ATOM 634 CZ TYR A 83 11.264 13.313 -7.023 1.00 25.97 C ATOM 635 OH TYR A 83 10.324 12.479 -6.516 1.00 28.29 O ATOM 636 HH TYR A 83 9.450 12.674 -6.937 1.00 0.00 H ATOM 637 H TYR A 83 14.980 14.343 -11.029 1.00 0.00 H ATOM 638 N ASP A 84 14.918 18.355 -10.387 1.00 24.29 N ATOM 639 CA ASP A 84 15.811 19.432 -10.551 1.00 25.45 C ATOM 640 C ASP A 84 16.194 19.893 -9.148 1.00 24.98 C ATOM 641 O ASP A 84 15.383 19.809 -8.209 1.00 23.64 O ATOM 642 CB ASP A 84 15.108 20.540 -11.342 1.00 28.22 C ATOM 643 CG ASP A 84 14.474 19.968 -12.634 1.00 31.29 C ATOM 644 OD1 ASP A 84 15.312 19.373 -13.357 1.00 33.46 O ATOM 645 OD2 ASP A 84 13.194 19.953 -12.846 1.00 34.59 O ATOM 646 H ASP A 84 13.934 18.578 -10.134 1.00 0.00 H ATOM 647 N TRP A 85 17.396 20.412 -9.030 1.00 25.60 N ATOM 648 CA TRP A 85 17.939 20.801 -7.695 1.00 23.73 C ATOM 649 C TRP A 85 18.254 22.255 -7.596 1.00 23.15 C ATOM 650 O TRP A 85 18.600 22.936 -8.594 1.00 24.25 O ATOM 651 CB TRP A 85 19.171 19.987 -7.314 1.00 25.18 C ATOM 652 CG TRP A 85 20.277 20.002 -8.293 1.00 24.36 C ATOM 653 CD1 TRP A 85 20.500 19.091 -9.238 1.00 24.80 C ATOM 654 CD2 TRP A 85 21.292 21.015 -8.447 1.00 25.18 C ATOM 655 NE1 TRP A 85 21.559 19.478 -10.005 1.00 26.08 N ATOM 656 CE2 TRP A 85 22.083 20.647 -9.533 1.00 26.62 C ATOM 657 CE3 TRP A 85 21.600 22.216 -7.758 1.00 25.63 C ATOM 658 CZ2 TRP A 85 23.178 21.400 -9.961 1.00 27.72 C ATOM 659 CZ3 TRP A 85 22.694 22.946 -8.153 1.00 26.84 C ATOM 660 CH2 TRP A 85 23.491 22.517 -9.269 1.00 27.58 C ATOM 661 HE1 TRP A 85 21.916 18.957 -10.831 1.00 0.00 H ATOM 662 H TRP A 85 17.978 20.554 -9.880 1.00 0.00 H ATOM 663 N THR A 86 18.169 22.734 -6.356 1.00 23.47 N ATOM 664 CA THR A 86 18.699 24.059 -5.992 1.00 22.35 C ATOM 665 C THR A 86 19.539 23.831 -4.739 1.00 21.95 C ATOM 666 O THR A 86 19.217 23.022 -3.913 1.00 21.70 O ATOM 667 CB THR A 86 17.648 25.095 -5.662 1.00 23.00 C ATOM 668 OG1 THR A 86 16.718 24.588 -4.690 1.00 22.10 O ATOM 669 CG2 THR A 86 16.914 25.599 -6.918 1.00 23.88 C ATOM 670 HG1 THR A 86 16.041 25.282 -4.490 1.00 0.00 H ATOM 671 H THR A 86 17.714 22.154 -5.622 1.00 0.00 H ATOM 672 N ILE A 87 20.588 24.603 -4.628 1.00 21.93 N ATOM 673 CA ILE A 87 21.464 24.573 -3.438 1.00 21.84 C ATOM 674 C ILE A 87 20.695 25.076 -2.234 1.00 21.40 C ATOM 675 O ILE A 87 19.987 26.135 -2.316 1.00 22.86 O ATOM 676 CB ILE A 87 22.717 25.416 -3.698 1.00 24.23 C ATOM 677 CG1 ILE A 87 23.601 24.649 -4.707 1.00 25.28 C ATOM 678 CG2 ILE A 87 23.522 25.659 -2.399 1.00 24.96 C ATOM 679 CD1 ILE A 87 24.687 25.567 -5.275 1.00 29.21 C ATOM 680 H ILE A 87 20.814 25.260 -5.402 1.00 0.00 H ATOM 681 N ALA A 88 20.806 24.348 -1.118 1.00 18.73 N ATOM 682 CA ALA A 88 20.203 24.736 0.137 1.00 17.89 C ATOM 683 C ALA A 88 21.328 25.074 1.144 1.00 18.38 C ATOM 684 O ALA A 88 22.154 24.230 1.557 1.00 19.14 O ATOM 685 CB ALA A 88 19.313 23.673 0.707 1.00 18.00 C ATOM 686 H ALA A 88 21.351 23.463 -1.155 1.00 0.00 H ATOM 687 N LEU A 89 21.367 26.339 1.528 1.00 18.13 N ATOM 688 CA LEU A 89 22.267 26.807 2.550 1.00 19.46 C ATOM 689 C LEU A 89 21.509 26.967 3.855 1.00 19.35 C ATOM 690 O LEU A 89 20.285 27.223 3.875 1.00 20.27 O ATOM 691 CB LEU A 89 22.821 28.152 2.163 1.00 20.21 C ATOM 692 CG LEU A 89 23.502 28.260 0.771 1.00 22.51 C ATOM 693 CD1 LEU A 89 24.038 29.692 0.612 1.00 25.07 C ATOM 694 CD2 LEU A 89 24.632 27.265 0.654 1.00 22.06 C ATOM 695 H LEU A 89 20.725 27.020 1.076 1.00 0.00 H ATOM 696 N CYS A 90 22.227 26.834 4.963 1.00 20.29 N ATOM 697 CA CYS A 90 21.718 27.324 6.261 1.00 19.21 C ATOM 698 C CYS A 90 21.345 28.785 6.126 1.00 19.47 C ATOM 699 O CYS A 90 22.164 29.599 5.716 1.00 20.31 O ATOM 700 CB CYS A 90 22.783 27.168 7.345 1.00 19.16 C ATOM 701 SG CYS A 90 22.199 27.688 8.935 1.00 19.90 S ATOM 702 H CYS A 90 23.161 26.379 4.917 1.00 0.00 H ATOM 703 N GLY A 91 20.098 29.123 6.486 1.00 19.40 N ATOM 704 CA GLY A 91 19.590 30.459 6.335 1.00 20.69 C ATOM 705 C GLY A 91 20.187 31.415 7.357 1.00 21.68 C ATOM 706 O GLY A 91 20.141 32.602 7.191 1.00 23.90 O ATOM 707 H GLY A 91 19.477 28.393 6.889 1.00 0.00 H ATOM 708 N GLN A 92 20.806 30.881 8.388 1.00 21.39 N ATOM 709 CA GLN A 92 21.442 31.647 9.436 1.00 21.87 C ATOM 710 C GLN A 92 22.908 31.932 9.072 1.00 22.94 C ATOM 711 O GLN A 92 23.372 33.081 9.029 1.00 23.37 O ATOM 712 CB GLN A 92 21.291 30.916 10.755 1.00 21.72 C ATOM 713 CG GLN A 92 21.783 31.693 11.921 1.00 22.35 C ATOM 714 CD GLN A 92 21.140 31.275 13.248 1.00 22.84 C ATOM 715 OE1 GLN A 92 20.253 31.950 13.687 1.00 23.56 O ATOM 716 NE2 GLN A 92 21.578 30.190 13.840 1.00 21.14 N ATOM 717 HE22 GLN A 92 22.352 29.641 13.414 1.00 0.00 H ATOM 718 HE21 GLN A 92 21.152 29.878 14.736 1.00 0.00 H ATOM 719 H GLN A 92 20.840 29.844 8.453 1.00 0.00 H ATOM 720 N CYS A 93 23.662 30.867 8.872 1.00 22.69 N ATOM 721 CA CYS A 93 25.139 30.974 8.765 1.00 22.90 C ATOM 722 C CYS A 93 25.743 30.791 7.349 1.00 23.58 C ATOM 723 O CYS A 93 26.901 31.057 7.155 1.00 23.15 O ATOM 724 CB CYS A 93 25.840 30.082 9.707 1.00 21.86 C ATOM 725 SG CYS A 93 25.989 28.313 9.209 1.00 21.11 S ATOM 726 H CYS A 93 23.212 29.933 8.788 1.00 0.00 H ATOM 727 N GLY A 94 24.928 30.303 6.420 1.00 22.71 N ATOM 728 CA GLY A 94 25.354 30.088 5.058 1.00 22.37 C ATOM 729 C GLY A 94 26.054 28.761 4.788 1.00 23.05 C ATOM 730 O GLY A 94 26.417 28.483 3.635 1.00 23.57 O ATOM 731 H GLY A 94 23.950 30.068 6.683 1.00 0.00 H ATOM 732 N SER A 95 26.189 27.884 5.767 1.00 21.75 N ATOM 733 CA SER A 95 26.794 26.556 5.576 1.00 21.64 C ATOM 734 C SER A 95 25.955 25.798 4.493 1.00 21.24 C ATOM 735 O SER A 95 24.739 25.843 4.465 1.00 20.89 O ATOM 736 CB SER A 95 26.775 25.785 6.849 1.00 22.73 C ATOM 737 OG SER A 95 27.242 24.435 6.647 1.00 23.32 O ATOM 738 HG SER A 95 28.170 24.456 6.303 1.00 0.00 H ATOM 739 H SER A 95 25.852 28.144 6.716 1.00 0.00 H ATOM 740 N HIS A 96 26.655 25.170 3.533 1.00 20.49 N ATOM 741 CA HIS A 96 25.983 24.407 2.520 1.00 20.28 C ATOM 742 C HIS A 96 25.476 23.090 3.132 1.00 18.11 C ATOM 743 O HIS A 96 26.263 22.206 3.428 1.00 21.16 O ATOM 744 CB HIS A 96 26.921 24.115 1.366 1.00 20.34 C ATOM 745 CG HIS A 96 26.282 23.211 0.344 1.00 21.83 C ATOM 746 ND1 HIS A 96 27.039 22.427 -0.527 1.00 24.44 N ATOM 747 CD2 HIS A 96 24.977 23.038 0.006 1.00 20.56 C ATOM 748 CE1 HIS A 96 26.194 21.753 -1.289 1.00 23.34 C ATOM 749 NE2 HIS A 96 24.948 22.107 -0.993 1.00 22.44 N ATOM 750 H HIS A 96 27.693 25.237 3.524 1.00 0.00 H ATOM 751 N LEU A 97 24.157 22.940 3.334 1.00 17.95 N ATOM 752 CA LEU A 97 23.614 21.817 4.028 1.00 18.41 C ATOM 753 C LEU A 97 23.043 20.734 3.115 1.00 18.86 C ATOM 754 O LEU A 97 22.847 19.621 3.542 1.00 19.65 O ATOM 755 CB LEU A 97 22.516 22.277 5.032 1.00 18.87 C ATOM 756 CG LEU A 97 22.987 23.188 6.188 1.00 21.32 C ATOM 757 CD1 LEU A 97 21.902 23.361 7.256 1.00 22.86 C ATOM 758 CD2 LEU A 97 24.203 22.620 6.929 1.00 22.77 C ATOM 759 H LEU A 97 23.508 23.668 2.972 1.00 0.00 H ATOM 760 N GLY A 98 22.791 21.071 1.856 1.00 19.42 N ATOM 761 CA GLY A 98 22.361 20.107 0.865 1.00 18.55 C ATOM 762 C GLY A 98 21.648 20.758 -0.296 1.00 18.14 C ATOM 763 O GLY A 98 22.082 21.806 -0.806 1.00 17.94 O ATOM 764 H GLY A 98 22.907 22.064 1.571 1.00 0.00 H ATOM 765 N TRP A 99 20.559 20.147 -0.714 1.00 18.37 N ATOM 766 CA TRP A 99 19.831 20.606 -1.927 1.00 20.08 C ATOM 767 C TRP A 99 18.344 20.446 -1.711 1.00 20.05 C ATOM 768 O TRP A 99 17.900 19.575 -0.946 1.00 20.04 O ATOM 769 CB TRP A 99 20.292 19.778 -3.141 1.00 21.33 C ATOM 770 CG TRP A 99 21.759 19.860 -3.409 1.00 21.16 C ATOM 771 CD1 TRP A 99 22.369 20.725 -4.243 1.00 23.10 C ATOM 772 CD2 TRP A 99 22.785 19.083 -2.798 1.00 21.99 C ATOM 773 NE1 TRP A 99 23.734 20.547 -4.165 1.00 25.60 N ATOM 774 CE2 TRP A 99 23.996 19.507 -3.326 1.00 24.73 C ATOM 775 CE3 TRP A 99 22.783 18.016 -1.867 1.00 21.29 C ATOM 776 CZ2 TRP A 99 25.232 18.953 -2.916 1.00 24.58 C ATOM 777 CZ3 TRP A 99 24.030 17.482 -1.449 1.00 22.91 C ATOM 778 CH2 TRP A 99 25.210 17.964 -1.971 1.00 22.75 C ATOM 779 HE1 TRP A 99 24.447 21.115 -4.665 1.00 0.00 H ATOM 780 H TRP A 99 20.201 19.326 -0.185 1.00 0.00 H ATOM 781 N HIS A 100 17.564 21.264 -2.419 1.00 21.50 N ATOM 782 CA HIS A 100 16.152 21.055 -2.529 1.00 21.62 C ATOM 783 C HIS A 100 15.867 20.541 -3.925 1.00 20.54 C ATOM 784 O HIS A 100 16.398 21.064 -4.884 1.00 21.10 O ATOM 785 CB HIS A 100 15.366 22.364 -2.274 1.00 23.24 C ATOM 786 CG HIS A 100 13.884 22.201 -2.267 1.00 23.94 C ATOM 787 ND1 HIS A 100 13.042 22.856 -3.163 1.00 27.35 N ATOM 788 CD2 HIS A 100 13.079 21.481 -1.444 1.00 24.61 C ATOM 789 CE1 HIS A 100 11.792 22.542 -2.879 1.00 24.53 C ATOM 790 NE2 HIS A 100 11.791 21.722 -1.834 1.00 25.51 N ATOM 791 H HIS A 100 17.994 22.077 -2.905 1.00 0.00 H ATOM 792 N TYR A 101 15.041 19.508 -3.978 1.00 20.28 N ATOM 793 CA TYR A 101 14.684 18.861 -5.245 1.00 20.57 C ATOM 794 C TYR A 101 13.221 19.169 -5.553 1.00 21.55 C ATOM 795 O TYR A 101 12.353 19.198 -4.666 1.00 23.28 O ATOM 796 CB TYR A 101 14.896 17.363 -5.136 1.00 20.03 C ATOM 797 CG TYR A 101 16.376 17.007 -5.112 1.00 19.47 C ATOM 798 CD1 TYR A 101 17.087 16.898 -6.306 1.00 21.43 C ATOM 799 CD2 TYR A 101 17.077 16.952 -3.917 1.00 19.97 C ATOM 800 CE1 TYR A 101 18.455 16.674 -6.299 1.00 21.31 C ATOM 801 CE2 TYR A 101 18.442 16.633 -3.915 1.00 19.92 C ATOM 802 CZ TYR A 101 19.128 16.575 -5.082 1.00 21.45 C ATOM 803 OH TYR A 101 20.478 16.291 -5.012 1.00 22.38 O ATOM 804 HH TYR A 101 20.859 16.278 -5.926 1.00 0.00 H ATOM 805 H TYR A 101 14.632 19.144 -3.094 1.00 0.00 H ATOM 806 N GLU A 102 12.954 19.435 -6.816 1.00 22.05 N ATOM 807 CA GLU A 102 11.628 19.760 -7.270 1.00 25.11 C ATOM 808 C GLU A 102 11.395 19.282 -8.687 1.00 24.40 C ATOM 809 O GLU A 102 12.309 18.832 -9.341 1.00 24.34 O ATOM 810 CB GLU A 102 11.366 21.263 -7.202 1.00 29.63 C ATOM 811 CG GLU A 102 12.169 22.133 -8.146 1.00 32.72 C ATOM 812 CD GLU A 102 11.945 23.600 -7.797 1.00 41.65 C ATOM 813 OE1 GLU A 102 10.865 24.193 -8.160 1.00 42.96 O ATOM 814 OE2 GLU A 102 12.847 24.144 -7.127 1.00 42.37 O ATOM 815 H GLU A 102 13.729 19.409 -7.509 1.00 0.00 H ATOM 816 N GLY A 103 10.163 19.475 -9.175 1.00 23.79 N ATOM 817 CA GLY A 103 9.836 19.095 -10.532 1.00 24.19 C ATOM 818 C GLY A 103 9.532 17.649 -10.865 1.00 25.07 C ATOM 819 O GLY A 103 9.327 17.332 -12.014 1.00 25.17 O ATOM 820 H GLY A 103 9.432 19.903 -8.571 1.00 0.00 H ATOM 821 N GLY A 104 9.519 16.781 -9.864 1.00 24.52 N ATOM 822 CA GLY A 104 9.347 15.353 -10.057 1.00 26.38 C ATOM 823 C GLY A 104 7.955 14.915 -9.708 1.00 28.63 C ATOM 824 O GLY A 104 7.035 15.752 -9.664 1.00 27.79 O ATOM 825 H GLY A 104 9.638 17.140 -8.895 1.00 0.00 H ATOM 826 N SER A 105 7.809 13.604 -9.389 1.00 30.40 N ATOM 827 CA SER A 105 6.472 13.015 -9.075 1.00 32.72 C ATOM 828 C SER A 105 6.582 12.088 -7.837 1.00 33.41 C ATOM 829 O SER A 105 7.555 11.332 -7.727 1.00 31.18 O ATOM 830 CB SER A 105 5.996 12.208 -10.251 1.00 38.81 C ATOM 831 OG SER A 105 6.026 12.947 -11.458 1.00 38.51 O ATOM 832 HG SER A 105 5.705 12.377 -12.201 1.00 0.00 H ATOM 833 H SER A 105 8.650 12.993 -9.362 1.00 0.00 H ATOM 834 N GLN A 106 5.696 12.236 -6.873 1.00 33.58 N ATOM 835 CA GLN A 106 5.549 11.261 -5.775 1.00 34.88 C ATOM 836 C GLN A 106 6.860 11.019 -5.016 1.00 33.65 C ATOM 837 O GLN A 106 7.363 9.910 -5.003 1.00 34.85 O ATOM 838 CB GLN A 106 4.941 9.928 -6.311 1.00 39.76 C ATOM 839 CG GLN A 106 4.123 9.211 -5.251 1.00 43.71 C ATOM 840 CD GLN A 106 3.211 8.109 -5.754 1.00 45.56 C ATOM 841 OE1 GLN A 106 2.731 8.073 -6.880 1.00 52.46 O ATOM 842 NE2 GLN A 106 2.902 7.248 -4.871 1.00 49.59 N ATOM 843 HE22 GLN A 106 3.324 7.302 -3.922 1.00 0.00 H ATOM 844 HE21 GLN A 106 2.227 6.490 -5.098 1.00 0.00 H ATOM 845 H GLN A 106 5.077 13.072 -6.886 1.00 0.00 H ATOM 846 N PRO A 107 7.431 12.053 -4.380 1.00 30.85 N ATOM 847 CA PRO A 107 6.824 13.367 -4.195 1.00 29.47 C ATOM 848 C PRO A 107 7.269 14.354 -5.270 1.00 28.11 C ATOM 849 O PRO A 107 8.258 14.142 -5.927 1.00 28.13 O ATOM 850 CB PRO A 107 7.323 13.736 -2.839 1.00 30.48 C ATOM 851 CG PRO A 107 8.711 13.156 -2.804 1.00 30.03 C ATOM 852 CD PRO A 107 8.592 11.878 -3.508 1.00 31.37 C ATOM 853 N GLN A 108 6.561 15.452 -5.400 1.00 27.03 N ATOM 854 CA GLN A 108 6.991 16.508 -6.298 1.00 27.61 C ATOM 855 C GLN A 108 8.318 17.156 -5.864 1.00 26.82 C ATOM 856 O GLN A 108 9.079 17.537 -6.712 1.00 24.53 O ATOM 857 CB GLN A 108 5.914 17.544 -6.489 1.00 28.80 C ATOM 858 CG GLN A 108 4.781 17.063 -7.347 1.00 31.73 C ATOM 859 CD GLN A 108 3.710 18.173 -7.493 1.00 34.18 C ATOM 860 OE1 GLN A 108 3.209 18.642 -6.530 1.00 35.27 O ATOM 861 NE2 GLN A 108 3.383 18.568 -8.718 1.00 37.63 N ATOM 862 HE22 GLN A 108 3.843 18.135 -9.544 1.00 0.00 H ATOM 863 HE21 GLN A 108 2.667 19.311 -8.851 1.00 0.00 H ATOM 864 H GLN A 108 5.683 15.566 -4.854 1.00 0.00 H ATOM 865 N THR A 109 8.490 17.317 -4.541 1.00 25.31 N ATOM 866 CA THR A 109 9.601 17.996 -3.955 1.00 25.26 C ATOM 867 C THR A 109 10.099 17.237 -2.684 1.00 25.27 C ATOM 868 O THR A 109 9.351 16.501 -2.031 1.00 26.11 O ATOM 869 CB THR A 109 9.244 19.417 -3.457 1.00 26.92 C ATOM 870 OG1 THR A 109 8.297 19.307 -2.382 1.00 28.79 O ATOM 871 CG2 THR A 109 8.658 20.232 -4.578 1.00 28.03 C ATOM 872 HG1 THR A 109 8.697 18.783 -1.644 1.00 0.00 H ATOM 873 H THR A 109 7.769 16.922 -3.904 1.00 0.00 H ATOM 874 N PHE A 110 11.377 17.447 -2.360 1.00 24.12 N ATOM 875 CA PHE A 110 11.954 16.925 -1.115 1.00 23.37 C ATOM 876 C PHE A 110 13.321 17.620 -0.925 1.00 21.87 C ATOM 877 O PHE A 110 13.768 18.413 -1.806 1.00 21.62 O ATOM 878 CB PHE A 110 12.141 15.393 -1.126 1.00 23.48 C ATOM 879 CG PHE A 110 13.141 14.871 -2.107 1.00 22.81 C ATOM 880 CD1 PHE A 110 12.797 14.658 -3.425 1.00 23.53 C ATOM 881 CD2 PHE A 110 14.447 14.566 -1.752 1.00 23.01 C ATOM 882 CE1 PHE A 110 13.685 14.168 -4.350 1.00 25.04 C ATOM 883 CE2 PHE A 110 15.325 14.086 -2.699 1.00 24.42 C ATOM 884 CZ PHE A 110 14.943 13.874 -3.994 1.00 23.47 C ATOM 885 H PHE A 110 11.980 17.995 -3.007 1.00 0.00 H ATOM 886 N PHE A 111 13.934 17.328 0.209 1.00 21.15 N ATOM 887 CA PHE A 111 15.239 17.876 0.540 1.00 20.62 C ATOM 888 C PHE A 111 16.237 16.732 0.653 1.00 20.12 C ATOM 889 O PHE A 111 15.936 15.728 1.303 1.00 20.59 O ATOM 890 CB PHE A 111 15.285 18.631 1.861 1.00 22.20 C ATOM 891 CG PHE A 111 14.466 19.893 1.856 1.00 21.14 C ATOM 892 CD1 PHE A 111 13.103 19.863 2.064 1.00 23.50 C ATOM 893 CD2 PHE A 111 15.093 21.122 1.618 1.00 23.91 C ATOM 894 CE1 PHE A 111 12.352 21.000 2.052 1.00 24.12 C ATOM 895 CE2 PHE A 111 14.347 22.310 1.637 1.00 23.02 C ATOM 896 CZ PHE A 111 12.979 22.261 1.884 1.00 24.24 C ATOM 897 H PHE A 111 13.469 16.688 0.884 1.00 0.00 H ATOM 898 N GLY A 112 17.424 16.963 0.087 1.00 18.28 N ATOM 899 CA GLY A 112 18.542 16.014 0.329 1.00 19.85 C ATOM 900 C GLY A 112 19.608 16.741 1.089 1.00 20.35 C ATOM 901 O GLY A 112 20.248 17.640 0.559 1.00 19.99 O ATOM 902 H GLY A 112 17.565 17.798 -0.517 1.00 0.00 H ATOM 903 N LEU A 113 19.745 16.412 2.356 1.00 20.49 N ATOM 904 CA LEU A 113 20.634 17.147 3.258 1.00 19.18 C ATOM 905 C LEU A 113 21.836 16.282 3.632 1.00 19.45 C ATOM 906 O LEU A 113 21.741 15.078 3.810 1.00 21.89 O ATOM 907 CB LEU A 113 19.902 17.575 4.501 1.00 19.99 C ATOM 908 CG LEU A 113 18.659 18.491 4.281 1.00 20.37 C ATOM 909 CD1 LEU A 113 18.035 18.884 5.626 1.00 22.41 C ATOM 910 CD2 LEU A 113 18.987 19.678 3.481 1.00 21.64 C ATOM 911 H LEU A 113 19.205 15.605 2.728 1.00 0.00 H ATOM 912 N ILE A 114 22.988 16.915 3.778 1.00 20.98 N ATOM 913 CA ILE A 114 24.242 16.213 4.026 1.00 21.25 C ATOM 914 C ILE A 114 24.328 15.878 5.544 1.00 21.21 C ATOM 915 O ILE A 114 24.424 16.759 6.404 1.00 21.52 O ATOM 916 CB ILE A 114 25.414 17.107 3.611 1.00 19.91 C ATOM 917 CG1 ILE A 114 25.301 17.469 2.126 1.00 20.73 C ATOM 918 CG2 ILE A 114 26.778 16.401 3.897 1.00 21.24 C ATOM 919 CD1 ILE A 114 26.130 18.650 1.707 1.00 21.08 C ATOM 920 H ILE A 114 23.000 17.953 3.713 1.00 0.00 H ATOM 921 N LYS A 115 24.254 14.599 5.849 1.00 22.19 N ATOM 922 CA LYS A 115 24.075 14.113 7.207 1.00 24.98 C ATOM 923 C LYS A 115 25.121 14.657 8.182 1.00 25.35 C ATOM 924 O LYS A 115 24.786 15.076 9.288 1.00 25.54 O ATOM 925 CB LYS A 115 24.076 12.592 7.286 1.00 30.06 C ATOM 926 CG LYS A 115 23.864 12.017 8.697 1.00 36.24 C ATOM 927 CD LYS A 115 25.041 11.216 9.150 1.00 43.85 C ATOM 928 CE LYS A 115 25.111 9.961 8.282 1.00 48.43 C ATOM 929 NZ LYS A 115 25.339 8.729 9.101 1.00 52.51 N ATOM 930 HZ1 LYS A 115 26.237 8.819 9.618 1.00 0.00 H ATOM 931 HZ2 LYS A 115 24.558 8.615 9.778 1.00 0.00 H ATOM 932 HZ3 LYS A 115 25.380 7.900 8.474 1.00 0.00 H ATOM 933 H LYS A 115 24.327 13.902 5.080 1.00 0.00 H ATOM 934 N ASP A 116 26.386 14.621 7.797 1.00 24.90 N ATOM 935 CA ASP A 116 27.464 15.082 8.689 1.00 26.23 C ATOM 936 C ASP A 116 27.533 16.622 8.884 1.00 25.45 C ATOM 937 O ASP A 116 28.341 17.070 9.673 1.00 27.11 O ATOM 938 CB ASP A 116 28.867 14.519 8.337 1.00 30.21 C ATOM 939 CG ASP A 116 29.400 15.070 7.049 1.00 33.66 C ATOM 940 OD1 ASP A 116 28.718 15.831 6.399 1.00 40.41 O ATOM 941 OD2 ASP A 116 30.517 14.846 6.670 1.00 39.34 O ATOM 942 H ASP A 116 26.623 14.262 6.850 1.00 0.00 H ATOM 943 N ARG A 117 26.696 17.378 8.200 1.00 22.42 N ATOM 944 CA ARG A 117 26.601 18.798 8.395 1.00 23.01 C ATOM 945 C ARG A 117 25.456 19.215 9.317 1.00 20.97 C ATOM 946 O ARG A 117 25.221 20.407 9.532 1.00 20.77 O ATOM 947 CB ARG A 117 26.449 19.475 7.043 1.00 24.02 C ATOM 948 CG ARG A 117 27.740 19.162 6.229 1.00 25.35 C ATOM 949 CD ARG A 117 27.894 19.960 4.989 1.00 25.41 C ATOM 950 NE ARG A 117 29.028 19.449 4.221 1.00 27.35 N ATOM 951 CZ ARG A 117 29.476 19.977 3.076 1.00 30.05 C ATOM 952 NH1 ARG A 117 28.865 21.043 2.541 1.00 29.70 N ATOM 953 NH2 ARG A 117 30.523 19.424 2.444 1.00 31.50 N ATOM 954 HE ARG A 117 29.523 18.613 4.592 1.00 0.00 H ATOM 955 HH12 ARG A 117 29.216 21.451 1.651 1.00 0.00 H ATOM 956 HH11 ARG A 117 28.040 21.462 3.016 1.00 0.00 H ATOM 957 HH22 ARG A 117 30.870 19.836 1.554 1.00 0.00 H ATOM 958 HH21 ARG A 117 30.987 18.584 2.844 1.00 0.00 H ATOM 959 H ARG A 117 26.081 16.929 7.492 1.00 0.00 H ATOM 960 N LEU A 118 24.765 18.243 9.883 1.00 20.58 N ATOM 961 CA LEU A 118 23.650 18.437 10.819 1.00 19.81 C ATOM 962 C LEU A 118 24.055 17.852 12.161 1.00 19.61 C ATOM 963 O LEU A 118 24.903 16.996 12.238 1.00 20.84 O ATOM 964 CB LEU A 118 22.412 17.722 10.349 1.00 20.24 C ATOM 965 CG LEU A 118 21.977 18.121 8.906 1.00 20.77 C ATOM 966 CD1 LEU A 118 20.866 17.232 8.456 1.00 22.42 C ATOM 967 CD2 LEU A 118 21.513 19.551 8.899 1.00 20.26 C ATOM 968 H LEU A 118 25.030 17.265 9.648 1.00 0.00 H ATOM 969 N ALA A 119 23.508 18.389 13.231 1.00 20.97 N ATOM 970 CA ALA A 119 23.604 17.808 14.559 1.00 20.59 C ATOM 971 C ALA A 119 22.243 17.393 15.040 1.00 21.63 C ATOM 972 O ALA A 119 21.291 18.159 14.902 1.00 22.17 O ATOM 973 CB ALA A 119 24.164 18.815 15.517 1.00 21.32 C ATOM 974 H ALA A 119 22.978 19.277 13.120 1.00 0.00 H ATOM 975 N GLU A 120 22.113 16.163 15.568 1.00 22.10 N ATOM 976 CA GLU A 120 20.853 15.646 15.987 1.00 23.10 C ATOM 977 C GLU A 120 20.718 15.726 17.506 1.00 23.74 C ATOM 978 O GLU A 120 21.641 15.397 18.199 1.00 23.01 O ATOM 979 CB GLU A 120 20.683 14.203 15.508 1.00 25.63 C ATOM 980 CG GLU A 120 19.265 13.691 15.741 1.00 29.81 C ATOM 981 CD GLU A 120 19.003 12.318 15.113 1.00 34.01 C ATOM 982 OE1 GLU A 120 19.943 11.809 14.478 1.00 36.86 O ATOM 983 OE2 GLU A 120 17.848 11.811 15.199 1.00 37.87 O ATOM 984 H GLU A 120 22.960 15.569 15.674 1.00 0.00 H ATOM 985 N GLY A 121 19.555 16.088 18.001 1.00 25.20 N ATOM 986 CA GLY A 121 19.388 16.310 19.419 1.00 25.88 C ATOM 987 C GLY A 121 17.908 16.432 19.825 1.00 26.64 C ATOM 988 O GLY A 121 16.996 16.230 19.042 1.00 27.47 O ATOM 989 H GLY A 121 18.744 16.216 17.363 1.00 0.00 H ATOM 990 N PRO A 122 17.676 16.694 21.093 1.00 28.89 N ATOM 991 CA PRO A 122 16.368 16.739 21.629 1.00 31.88 C ATOM 992 C PRO A 122 15.595 17.961 21.180 1.00 35.28 C ATOM 993 O PRO A 122 16.183 18.965 20.862 1.00 34.48 O ATOM 994 CB PRO A 122 16.616 16.785 23.140 1.00 32.91 C ATOM 995 CG PRO A 122 17.933 17.418 23.299 1.00 31.93 C ATOM 996 CD PRO A 122 18.707 16.982 22.087 1.00 29.19 C ATOM 997 N ALA A 123 14.277 17.828 21.235 1.00 42.51 N ATOM 998 CA ALA A 123 13.308 18.710 20.598 1.00 47.05 C ATOM 999 C ALA A 123 13.253 20.202 20.952 1.00 54.53 C ATOM 1000 O ALA A 123 12.949 21.016 20.051 1.00 63.53 O ATOM 1001 CB ALA A 123 11.920 18.108 20.707 1.00 51.31 C ATOM 1002 H ALA A 123 13.903 17.025 21.780 1.00 0.00 H ATOM 1003 N ASP A 124 13.507 20.591 22.189 1.00 57.45 N ATOM 1004 CA ASP A 124 13.195 22.000 22.601 1.00 67.70 C ATOM 1005 C ASP A 124 11.728 22.471 22.255 1.00 73.11 C ATOM 1006 O ASP A 124 10.734 22.088 22.893 1.00 74.15 O ATOM 1007 CB ASP A 124 14.245 23.007 22.045 1.00 64.82 C ATOM 1008 CG ASP A 124 15.509 23.108 22.939 1.00 64.15 C ATOM 1009 OD1 ASP A 124 15.425 23.562 24.097 1.00 64.59 O ATOM 1010 OD2 ASP A 124 16.603 22.712 22.506 1.00 64.40 O ATOM 1011 OXT ASP A 124 11.467 23.236 21.317 1.00 75.56 O ATOM 1012 H ASP A 124 13.920 19.925 22.873 1.00 0.00 H TER 1013 ASP A 124 ATOM 1014 N ALA B 19 45.945 -3.572 15.022 1.00 60.15 N ATOM 1015 CA ALA B 19 45.793 -3.004 16.378 1.00 57.87 C ATOM 1016 C ALA B 19 46.035 -1.518 16.121 1.00 56.15 C ATOM 1017 O ALA B 19 47.163 -1.035 16.282 1.00 63.82 O ATOM 1018 CB ALA B 19 46.820 -3.537 17.360 1.00 61.02 C ATOM 1019 HN3 ALA B 19 46.901 -3.368 14.667 1.00 0.00 H ATOM 1020 HN2 ALA B 19 45.240 -3.145 14.388 1.00 0.00 H ATOM 1021 HN1 ALA B 19 45.801 -4.601 15.060 1.00 0.00 H ATOM 1022 N SER B 20 45.030 -0.874 15.566 1.00 43.97 N ATOM 1023 CA SER B 20 44.963 0.553 15.726 1.00 38.25 C ATOM 1024 C SER B 20 44.193 0.820 17.060 1.00 33.09 C ATOM 1025 O SER B 20 43.176 0.179 17.305 1.00 35.41 O ATOM 1026 CB SER B 20 44.191 1.074 14.650 1.00 37.89 C ATOM 1027 OG SER B 20 44.268 2.458 14.623 1.00 41.07 O ATOM 1028 HG SER B 20 43.726 2.803 13.870 1.00 0.00 H ATOM 1029 H SER B 20 44.303 -1.385 15.025 1.00 0.00 H ATOM 1030 N ILE B 21 44.756 1.664 17.920 1.00 30.28 N ATOM 1031 CA ILE B 21 44.152 1.982 19.204 1.00 29.52 C ATOM 1032 C ILE B 21 43.830 3.484 19.305 1.00 26.06 C ATOM 1033 O ILE B 21 44.438 4.310 18.603 1.00 26.16 O ATOM 1034 CB ILE B 21 45.013 1.449 20.365 1.00 32.59 C ATOM 1035 CG1 ILE B 21 46.295 2.161 20.447 1.00 35.30 C ATOM 1036 CG2 ILE B 21 45.195 -0.062 20.184 1.00 34.96 C ATOM 1037 CD1 ILE B 21 46.925 1.845 21.800 1.00 40.11 C ATOM 1038 H ILE B 21 45.659 2.112 17.665 1.00 0.00 H ATOM 1039 N PHE B 22 42.829 3.825 20.119 1.00 23.05 N ATOM 1040 CA PHE B 22 42.542 5.145 20.494 1.00 23.78 C ATOM 1041 C PHE B 22 42.996 5.398 21.919 1.00 25.25 C ATOM 1042 O PHE B 22 42.574 4.689 22.809 1.00 22.94 O ATOM 1043 CB PHE B 22 41.053 5.445 20.374 1.00 22.98 C ATOM 1044 CG PHE B 22 40.546 5.385 18.963 1.00 22.76 C ATOM 1045 CD1 PHE B 22 40.219 4.184 18.434 1.00 22.50 C ATOM 1046 CD2 PHE B 22 40.398 6.525 18.183 1.00 23.34 C ATOM 1047 CE1 PHE B 22 39.772 4.075 17.103 1.00 24.15 C ATOM 1048 CE2 PHE B 22 39.991 6.423 16.836 1.00 23.97 C ATOM 1049 CZ PHE B 22 39.662 5.196 16.305 1.00 25.03 C ATOM 1050 H PHE B 22 42.226 3.067 20.498 1.00 0.00 H ATOM 1051 N ARG B 23 43.823 6.421 22.081 1.00 25.89 N ATOM 1052 CA ARG B 23 44.335 6.856 23.363 1.00 29.26 C ATOM 1053 C ARG B 23 43.705 8.146 23.766 1.00 27.73 C ATOM 1054 O ARG B 23 43.271 8.941 22.951 1.00 27.89 O ATOM 1055 CB ARG B 23 45.837 7.062 23.295 1.00 32.15 C ATOM 1056 CG ARG B 23 46.603 5.762 23.028 1.00 35.89 C ATOM 1057 CD ARG B 23 48.085 6.066 22.927 1.00 41.26 C ATOM 1058 NE ARG B 23 48.937 4.896 22.934 1.00 44.50 N ATOM 1059 CZ ARG B 23 49.414 4.289 21.846 1.00 52.04 C ATOM 1060 NH1 ARG B 23 49.033 4.651 20.585 1.00 52.82 N ATOM 1061 NH2 ARG B 23 50.241 3.265 22.019 1.00 53.57 N ATOM 1062 HE ARG B 23 49.197 4.498 23.859 1.00 0.00 H ATOM 1063 HH12 ARG B 23 49.426 4.154 19.760 1.00 0.00 H ATOM 1064 HH11 ARG B 23 48.349 5.423 20.450 1.00 0.00 H ATOM 1065 HH22 ARG B 23 50.633 2.768 21.194 1.00 0.00 H ATOM 1066 HH21 ARG B 23 50.497 2.960 22.980 1.00 0.00 H ATOM 1067 H ARG B 23 44.123 6.944 21.234 1.00 0.00 H ATOM 1068 N CYS B 24 43.636 8.369 25.074 1.00 28.29 N ATOM 1069 CA CYS B 24 43.219 9.676 25.601 1.00 30.25 C ATOM 1070 C CYS B 24 44.227 10.733 25.053 1.00 33.36 C ATOM 1071 O CYS B 24 45.452 10.562 25.193 1.00 32.92 O ATOM 1072 CB CYS B 24 43.321 9.646 27.105 1.00 32.98 C ATOM 1073 SG CYS B 24 43.145 11.201 27.926 1.00 33.59 S ATOM 1074 H CYS B 24 43.881 7.606 25.736 1.00 0.00 H ATOM 1075 N ARG B 25 43.697 11.785 24.427 1.00 35.31 N ATOM 1076 CA ARG B 25 44.552 12.811 23.843 1.00 38.53 C ATOM 1077 C ARG B 25 45.343 13.612 24.917 1.00 41.28 C ATOM 1078 O ARG B 25 46.438 14.110 24.641 1.00 44.20 O ATOM 1079 CB ARG B 25 43.710 13.735 22.955 1.00 39.90 C ATOM 1080 CG ARG B 25 44.503 14.825 22.289 1.00 44.79 C ATOM 1081 CD ARG B 25 43.644 15.581 21.293 1.00 46.77 C ATOM 1082 NE ARG B 25 43.202 14.758 20.178 1.00 51.25 N ATOM 1083 CZ ARG B 25 43.829 14.667 19.004 1.00 53.10 C ATOM 1084 NH1 ARG B 25 44.943 15.340 18.782 1.00 54.49 N ATOM 1085 NH2 ARG B 25 43.345 13.889 18.051 1.00 52.32 N ATOM 1086 HE ARG B 25 42.334 14.200 20.305 1.00 0.00 H ATOM 1087 HH12 ARG B 25 45.424 15.262 17.863 1.00 0.00 H ATOM 1088 HH11 ARG B 25 45.340 15.948 19.526 1.00 0.00 H ATOM 1089 HH22 ARG B 25 43.836 13.820 17.137 1.00 0.00 H ATOM 1090 HH21 ARG B 25 42.473 13.346 18.216 1.00 0.00 H ATOM 1091 H ARG B 25 42.663 11.874 24.355 1.00 0.00 H ATOM 1092 N GLN B 26 44.813 13.689 26.135 1.00 41.80 N ATOM 1093 CA GLN B 26 45.430 14.461 27.202 1.00 44.28 C ATOM 1094 C GLN B 26 46.502 13.728 27.969 1.00 43.19 C ATOM 1095 O GLN B 26 47.437 14.382 28.434 1.00 47.35 O ATOM 1096 CB GLN B 26 44.357 14.977 28.141 1.00 45.95 C ATOM 1097 CG GLN B 26 44.854 15.853 29.287 1.00 50.89 C ATOM 1098 CD GLN B 26 43.693 16.413 30.110 1.00 53.81 C ATOM 1099 OE1 GLN B 26 43.552 16.156 31.300 1.00 57.82 O ATOM 1100 NE2 GLN B 26 42.810 17.109 29.445 1.00 59.53 N ATOM 1101 HE22 GLN B 26 42.959 17.310 28.436 1.00 0.00 H ATOM 1102 HE21 GLN B 26 41.958 17.462 29.925 1.00 0.00 H ATOM 1103 H GLN B 26 43.928 13.180 26.331 1.00 0.00 H ATOM 1104 N CYS B 27 46.411 12.406 28.118 1.00 38.35 N ATOM 1105 CA CYS B 27 47.466 11.673 28.874 1.00 37.71 C ATOM 1106 C CYS B 27 48.028 10.438 28.255 1.00 36.91 C ATOM 1107 O CYS B 27 48.922 9.839 28.834 1.00 37.29 O ATOM 1108 CB CYS B 27 46.946 11.299 30.263 1.00 37.95 C ATOM 1109 SG CYS B 27 45.869 9.803 30.336 1.00 35.69 S ATOM 1110 H CYS B 27 45.607 11.888 27.708 1.00 0.00 H ATOM 1111 N GLY B 28 47.453 9.993 27.123 1.00 36.47 N ATOM 1112 CA GLY B 28 47.921 8.800 26.407 1.00 36.32 C ATOM 1113 C GLY B 28 47.430 7.458 26.853 1.00 35.00 C ATOM 1114 O GLY B 28 47.844 6.418 26.296 1.00 37.71 O ATOM 1115 H GLY B 28 46.641 10.517 26.738 1.00 0.00 H ATOM 1116 N GLN B 29 46.526 7.420 27.836 1.00 35.05 N ATOM 1117 CA GLN B 29 46.041 6.098 28.323 1.00 35.79 C ATOM 1118 C GLN B 29 45.331 5.445 27.156 1.00 31.86 C ATOM 1119 O GLN B 29 44.607 6.108 26.487 1.00 29.76 O ATOM 1120 CB GLN B 29 45.065 6.241 29.459 1.00 38.46 C ATOM 1121 CG GLN B 29 44.861 4.865 30.079 1.00 44.07 C ATOM 1122 CD GLN B 29 44.188 4.898 31.393 1.00 44.36 C ATOM 1123 OE1 GLN B 29 44.551 4.126 32.263 1.00 45.86 O ATOM 1124 NE2 GLN B 29 43.155 5.741 31.525 1.00 42.92 N ATOM 1125 HE22 GLN B 29 42.898 6.375 30.742 1.00 0.00 H ATOM 1126 HE21 GLN B 29 42.611 5.762 32.411 1.00 0.00 H ATOM 1127 H GLN B 29 46.166 8.301 28.255 1.00 0.00 H ATOM 1128 N THR B 30 45.564 4.158 26.863 1.00 30.41 N ATOM 1129 CA THR B 30 44.697 3.400 25.961 1.00 30.67 C ATOM 1130 C THR B 30 43.212 3.419 26.473 1.00 30.77 C ATOM 1131 O THR B 30 42.903 3.133 27.670 1.00 29.89 O ATOM 1132 CB THR B 30 45.202 1.986 25.744 1.00 32.23 C ATOM 1133 OG1 THR B 30 46.490 2.102 25.183 1.00 34.97 O ATOM 1134 CG2 THR B 30 44.358 1.258 24.712 1.00 32.76 C ATOM 1135 HG1 THR B 30 47.078 2.596 25.808 1.00 0.00 H ATOM 1136 H THR B 30 46.386 3.684 27.290 1.00 0.00 H ATOM 1137 N ILE B 31 42.315 3.792 25.548 1.00 27.33 N ATOM 1138 CA ILE B 31 40.873 3.833 25.816 1.00 26.97 C ATOM 1139 C ILE B 31 40.019 2.853 25.025 1.00 23.80 C ATOM 1140 O ILE B 31 39.172 2.168 25.572 1.00 23.38 O ATOM 1141 CB ILE B 31 40.313 5.257 25.592 1.00 26.10 C ATOM 1142 CG1 ILE B 31 41.065 6.283 26.461 1.00 28.44 C ATOM 1143 CG2 ILE B 31 38.781 5.301 25.858 1.00 25.69 C ATOM 1144 CD1 ILE B 31 40.928 6.121 27.925 1.00 30.33 C ATOM 1145 H ILE B 31 42.655 4.063 24.603 1.00 0.00 H ATOM 1146 N SER B 32 40.213 2.782 23.725 1.00 22.36 N ATOM 1147 CA SER B 32 39.458 1.870 22.919 1.00 22.56 C ATOM 1148 C SER B 32 40.253 1.496 21.652 1.00 24.28 C ATOM 1149 O SER B 32 41.430 1.834 21.552 1.00 24.95 O ATOM 1150 CB SER B 32 38.063 2.379 22.603 1.00 22.14 C ATOM 1151 OG SER B 32 37.247 1.334 22.155 1.00 23.87 O ATOM 1152 HG SER B 32 37.184 0.641 22.859 1.00 0.00 H ATOM 1153 H SER B 32 40.923 3.396 23.278 1.00 0.00 H ATOM 1154 N ARG B 33 39.635 0.715 20.776 1.00 24.92 N ATOM 1155 CA ARG B 33 40.360 0.105 19.656 1.00 25.85 C ATOM 1156 C ARG B 33 39.478 0.240 18.425 1.00 24.87 C ATOM 1157 O ARG B 33 38.244 0.183 18.499 1.00 21.16 O ATOM 1158 CB ARG B 33 40.646 -1.405 19.943 1.00 30.19 C ATOM 1159 CG ARG B 33 41.156 -1.713 21.352 1.00 35.00 C ATOM 1160 CD ARG B 33 41.483 -3.182 21.533 1.00 37.57 C ATOM 1161 NE ARG B 33 42.807 -3.351 20.969 1.00 46.59 N ATOM 1162 CZ ARG B 33 43.943 -3.202 21.649 1.00 48.94 C ATOM 1163 NH1 ARG B 33 43.931 -2.820 22.958 1.00 53.87 N ATOM 1164 NH2 ARG B 33 45.099 -3.388 21.017 1.00 49.00 N ATOM 1165 HE ARG B 33 42.875 -3.606 19.963 1.00 0.00 H ATOM 1166 HH12 ARG B 33 44.826 -2.708 23.475 1.00 0.00 H ATOM 1167 HH11 ARG B 33 43.027 -2.641 23.439 1.00 0.00 H ATOM 1168 HH22 ARG B 33 45.996 -3.276 21.531 1.00 0.00 H ATOM 1169 HH21 ARG B 33 45.105 -3.645 20.009 1.00 0.00 H ATOM 1170 H ARG B 33 38.617 0.532 20.885 1.00 0.00 H ATOM 1171 N ARG B 34 40.120 0.372 17.273 1.00 25.00 N ATOM 1172 CA ARG B 34 39.387 0.385 16.023 1.00 25.50 C ATOM 1173 C ARG B 34 38.512 -0.869 15.796 1.00 24.67 C ATOM 1174 O ARG B 34 37.389 -0.746 15.258 1.00 23.53 O ATOM 1175 CB ARG B 34 40.328 0.596 14.826 1.00 28.49 C ATOM 1176 CG ARG B 34 39.600 0.694 13.505 1.00 30.92 C ATOM 1177 CD ARG B 34 40.540 1.285 12.409 1.00 34.77 C ATOM 1178 NE ARG B 34 40.448 2.733 12.530 1.00 39.32 N ATOM 1179 CZ ARG B 34 39.538 3.538 11.951 1.00 39.07 C ATOM 1180 NH1 ARG B 34 38.599 3.049 11.110 1.00 42.38 N ATOM 1181 NH2 ARG B 34 39.549 4.822 12.243 1.00 38.50 N ATOM 1182 HE ARG B 34 41.162 3.195 13.128 1.00 0.00 H ATOM 1183 HH12 ARG B 34 37.906 3.691 10.674 1.00 0.00 H ATOM 1184 HH11 ARG B 34 38.570 2.031 10.899 1.00 0.00 H ATOM 1185 HH22 ARG B 34 38.854 5.461 11.806 1.00 0.00 H ATOM 1186 HH21 ARG B 34 40.253 5.197 12.911 1.00 0.00 H ATOM 1187 H ARG B 34 41.156 0.467 17.266 1.00 0.00 H ATOM 1188 N ASP B 35 39.002 -2.007 16.233 1.00 23.80 N ATOM 1189 CA ASP B 35 38.210 -3.271 16.141 1.00 25.32 C ATOM 1190 C ASP B 35 36.885 -3.211 16.914 1.00 23.14 C ATOM 1191 O ASP B 35 35.987 -3.962 16.589 1.00 23.76 O ATOM 1192 CB ASP B 35 39.009 -4.407 16.680 1.00 28.13 C ATOM 1193 CG ASP B 35 40.157 -4.835 15.779 1.00 32.38 C ATOM 1194 OD1 ASP B 35 40.183 -4.487 14.596 1.00 34.58 O ATOM 1195 OD2 ASP B 35 40.999 -5.583 16.345 1.00 40.91 O ATOM 1196 H ASP B 35 39.955 -2.029 16.649 1.00 0.00 H ATOM 1197 N TRP B 36 36.737 -2.251 17.835 1.00 21.69 N ATOM 1198 CA TRP B 36 35.530 -2.151 18.669 1.00 21.72 C ATOM 1199 C TRP B 36 34.597 -1.107 18.171 1.00 21.91 C ATOM 1200 O TRP B 36 33.566 -0.839 18.776 1.00 20.59 O ATOM 1201 CB TRP B 36 35.926 -1.894 20.114 1.00 21.86 C ATOM 1202 CG TRP B 36 36.716 -2.988 20.735 1.00 20.60 C ATOM 1203 CD1 TRP B 36 36.753 -4.293 20.340 1.00 22.40 C ATOM 1204 CD2 TRP B 36 37.384 -2.917 21.979 1.00 21.96 C ATOM 1205 NE1 TRP B 36 37.498 -5.045 21.253 1.00 23.50 N ATOM 1206 CE2 TRP B 36 37.928 -4.204 22.249 1.00 23.27 C ATOM 1207 CE3 TRP B 36 37.692 -1.862 22.863 1.00 21.20 C ATOM 1208 CZ2 TRP B 36 38.735 -4.448 23.373 1.00 24.93 C ATOM 1209 CZ3 TRP B 36 38.474 -2.111 23.994 1.00 22.94 C ATOM 1210 CH2 TRP B 36 38.945 -3.397 24.249 1.00 24.54 C ATOM 1211 HE1 TRP B 36 37.693 -6.065 21.189 1.00 0.00 H ATOM 1212 H TRP B 36 37.499 -1.555 17.965 1.00 0.00 H ATOM 1213 N LEU B 37 34.938 -0.412 17.039 1.00 22.76 N ATOM 1214 CA LEU B 37 33.956 0.465 16.437 1.00 22.68 C ATOM 1215 C LEU B 37 32.577 -0.163 16.231 1.00 24.03 C ATOM 1216 O LEU B 37 32.475 -1.314 15.792 1.00 25.48 O ATOM 1217 CB LEU B 37 34.481 1.059 15.101 1.00 23.56 C ATOM 1218 CG LEU B 37 35.426 2.206 15.320 1.00 24.76 C ATOM 1219 CD1 LEU B 37 36.063 2.502 13.937 1.00 26.90 C ATOM 1220 CD2 LEU B 37 34.754 3.431 15.918 1.00 24.32 C ATOM 1221 H LEU B 37 35.885 -0.513 16.621 1.00 0.00 H ATOM 1222 N LEU B 38 31.531 0.572 16.578 1.00 22.83 N ATOM 1223 CA LEU B 38 30.179 0.005 16.659 1.00 24.59 C ATOM 1224 C LEU B 38 29.261 0.907 15.801 1.00 26.09 C ATOM 1225 O LEU B 38 28.982 2.067 16.179 1.00 27.08 O ATOM 1226 CB LEU B 38 29.697 0.023 18.116 1.00 24.25 C ATOM 1227 CG LEU B 38 28.308 -0.449 18.332 1.00 27.32 C ATOM 1228 CD1 LEU B 38 28.111 -1.895 17.825 1.00 29.26 C ATOM 1229 CD2 LEU B 38 28.033 -0.410 19.786 1.00 27.61 C ATOM 1230 H LEU B 38 31.671 1.578 16.799 1.00 0.00 H ATOM 1231 N PRO B 39 28.743 0.405 14.688 1.00 31.28 N ATOM 1232 CA PRO B 39 27.870 1.284 13.859 1.00 33.01 C ATOM 1233 C PRO B 39 26.411 1.313 14.359 1.00 35.12 C ATOM 1234 O PRO B 39 25.551 0.689 13.759 1.00 46.85 O ATOM 1235 CB PRO B 39 27.996 0.631 12.435 1.00 35.07 C ATOM 1236 CG PRO B 39 28.177 -0.788 12.739 1.00 34.33 C ATOM 1237 CD PRO B 39 29.153 -0.797 13.931 1.00 34.50 C ATOM 1238 N MET B 40 26.107 2.098 15.375 1.00 34.31 N ATOM 1239 CA MET B 40 24.754 2.294 15.911 1.00 34.14 C ATOM 1240 C MET B 40 23.871 3.060 14.939 1.00 35.47 C ATOM 1241 O MET B 40 24.282 4.076 14.401 1.00 37.42 O ATOM 1242 CB MET B 40 24.778 3.082 17.239 1.00 33.60 C ATOM 1243 CG MET B 40 25.422 2.352 18.428 1.00 32.02 C ATOM 1244 SD MET B 40 24.521 0.807 18.957 1.00 38.06 S ATOM 1245 CE MET B 40 22.918 1.453 19.454 1.00 34.71 C ATOM 1246 H MET B 40 26.884 2.617 15.831 1.00 0.00 H ATOM 1247 N GLY B 41 22.679 2.508 14.662 1.00 37.28 N ATOM 1248 CA GLY B 41 21.826 3.094 13.630 1.00 39.52 C ATOM 1249 C GLY B 41 22.519 3.210 12.268 1.00 42.67 C ATOM 1250 O GLY B 41 22.186 4.120 11.527 1.00 43.78 O ATOM 1251 H GLY B 41 22.363 1.664 15.181 1.00 0.00 H ATOM 1252 N GLY B 42 23.472 2.337 11.926 1.00 41.99 N ATOM 1253 CA GLY B 42 24.130 2.375 10.627 1.00 41.66 C ATOM 1254 C GLY B 42 25.325 3.291 10.466 1.00 42.85 C ATOM 1255 O GLY B 42 25.799 3.463 9.322 1.00 45.63 O ATOM 1256 H GLY B 42 23.753 1.606 12.610 1.00 0.00 H ATOM 1257 N ASP B 43 25.792 3.944 11.560 1.00 36.60 N ATOM 1258 CA ASP B 43 27.019 4.759 11.448 1.00 37.36 C ATOM 1259 C ASP B 43 27.737 4.731 12.784 1.00 31.70 C ATOM 1260 O ASP B 43 27.096 4.855 13.816 1.00 32.53 O ATOM 1261 CB ASP B 43 26.651 6.210 11.073 1.00 39.77 C ATOM 1262 CG ASP B 43 27.820 6.978 10.441 1.00 42.03 C ATOM 1263 OD1 ASP B 43 29.025 6.683 10.714 1.00 40.05 O ATOM 1264 OD2 ASP B 43 27.508 7.917 9.680 1.00 45.13 O ATOM 1265 H ASP B 43 25.291 3.871 12.468 1.00 0.00 H ATOM 1266 N HIS B 44 29.047 4.553 12.798 1.00 30.76 N ATOM 1267 CA HIS B 44 29.779 4.704 14.044 1.00 28.09 C ATOM 1268 C HIS B 44 29.931 6.187 14.463 1.00 28.26 C ATOM 1269 O HIS B 44 30.034 6.428 15.643 1.00 26.37 O ATOM 1270 CB HIS B 44 31.122 3.996 14.065 1.00 30.22 C ATOM 1271 CG HIS B 44 32.151 4.554 13.145 1.00 31.60 C ATOM 1272 ND1 HIS B 44 32.756 3.788 12.158 1.00 35.03 N ATOM 1273 CD2 HIS B 44 32.737 5.769 13.093 1.00 32.20 C ATOM 1274 CE1 HIS B 44 33.637 4.536 11.514 1.00 35.87 C ATOM 1275 NE2 HIS B 44 33.619 5.758 12.040 1.00 34.56 N ATOM 1276 H HIS B 44 29.551 4.306 11.922 1.00 0.00 H ATOM 1277 N GLU B 45 29.792 7.128 13.535 1.00 26.30 N ATOM 1278 CA GLU B 45 29.785 8.585 13.818 1.00 25.94 C ATOM 1279 C GLU B 45 28.388 9.206 13.925 1.00 24.92 C ATOM 1280 O GLU B 45 27.531 8.983 13.054 1.00 25.18 O ATOM 1281 CB GLU B 45 30.557 9.315 12.746 1.00 25.93 C ATOM 1282 CG GLU B 45 30.767 10.788 13.050 1.00 26.09 C ATOM 1283 CD GLU B 45 31.686 11.553 12.127 1.00 28.83 C ATOM 1284 OE1 GLU B 45 32.959 11.451 12.306 1.00 29.19 O ATOM 1285 OE2 GLU B 45 31.156 12.482 11.387 1.00 30.06 O ATOM 1286 H GLU B 45 29.681 6.824 12.547 1.00 0.00 H ATOM 1287 N HIS B 46 28.174 9.946 15.006 1.00 25.18 N ATOM 1288 CA HIS B 46 26.938 10.640 15.287 1.00 24.31 C ATOM 1289 C HIS B 46 27.319 12.055 15.700 1.00 22.70 C ATOM 1290 O HIS B 46 27.946 12.267 16.782 1.00 21.91 O ATOM 1291 CB HIS B 46 26.223 9.923 16.426 1.00 26.28 C ATOM 1292 CG HIS B 46 25.705 8.587 16.033 1.00 27.34 C ATOM 1293 ND1 HIS B 46 24.404 8.383 15.652 1.00 31.53 N ATOM 1294 CD2 HIS B 46 26.324 7.392 15.915 1.00 28.00 C ATOM 1295 CE1 HIS B 46 24.247 7.143 15.274 1.00 31.06 C ATOM 1296 NE2 HIS B 46 25.387 6.510 15.455 1.00 29.07 N ATOM 1297 H HIS B 46 28.947 10.032 15.696 1.00 0.00 H ATOM 1298 N VAL B 47 26.854 13.057 14.954 1.00 22.70 N ATOM 1299 CA VAL B 47 26.956 14.440 15.389 1.00 22.25 C ATOM 1300 C VAL B 47 25.655 14.795 16.120 1.00 22.15 C ATOM 1301 O VAL B 47 24.553 14.720 15.559 1.00 21.71 O ATOM 1302 CB VAL B 47 27.162 15.368 14.206 1.00 24.76 C ATOM 1303 CG1 VAL B 47 27.359 16.825 14.644 1.00 24.00 C ATOM 1304 CG2 VAL B 47 28.408 14.921 13.349 1.00 24.42 C ATOM 1305 H VAL B 47 26.408 12.844 14.039 1.00 0.00 H ATOM 1306 N VAL B 48 25.798 15.225 17.352 1.00 22.09 N ATOM 1307 CA VAL B 48 24.653 15.356 18.290 1.00 21.05 C ATOM 1308 C VAL B 48 24.799 16.669 19.079 1.00 21.77 C ATOM 1309 O VAL B 48 25.885 17.230 19.176 1.00 23.75 O ATOM 1310 CB VAL B 48 24.595 14.202 19.256 1.00 22.42 C ATOM 1311 CG1 VAL B 48 24.250 12.925 18.455 1.00 23.71 C ATOM 1312 CG2 VAL B 48 25.888 14.015 19.990 1.00 22.18 C ATOM 1313 H VAL B 48 26.749 15.484 17.684 1.00 0.00 H ATOM 1314 N PHE B 49 23.728 17.111 19.713 1.00 20.55 N ATOM 1315 CA PHE B 49 23.753 18.293 20.566 1.00 21.15 C ATOM 1316 C PHE B 49 22.958 17.934 21.839 1.00 21.19 C ATOM 1317 O PHE B 49 22.046 17.116 21.817 1.00 20.44 O ATOM 1318 CB PHE B 49 23.251 19.587 19.905 1.00 22.60 C ATOM 1319 CG PHE B 49 21.806 19.567 19.517 1.00 22.35 C ATOM 1320 CD1 PHE B 49 20.853 19.960 20.441 1.00 22.27 C ATOM 1321 CD2 PHE B 49 21.372 19.237 18.222 1.00 23.37 C ATOM 1322 CE1 PHE B 49 19.502 19.981 20.134 1.00 23.46 C ATOM 1323 CE2 PHE B 49 19.992 19.223 17.914 1.00 24.12 C ATOM 1324 CZ PHE B 49 19.038 19.570 18.890 1.00 24.89 C ATOM 1325 H PHE B 49 22.832 16.596 19.599 1.00 0.00 H ATOM 1326 N ASN B 50 23.375 18.502 22.947 1.00 20.48 N ATOM 1327 CA ASN B 50 22.709 18.274 24.238 1.00 21.20 C ATOM 1328 C ASN B 50 21.722 19.416 24.540 1.00 21.55 C ATOM 1329 O ASN B 50 21.566 20.364 23.746 1.00 21.59 O ATOM 1330 CB ASN B 50 23.751 18.018 25.365 1.00 21.25 C ATOM 1331 CG ASN B 50 24.500 19.221 25.778 1.00 22.57 C ATOM 1332 OD1 ASN B 50 24.202 20.326 25.360 1.00 22.35 O ATOM 1333 ND2 ASN B 50 25.565 18.987 26.561 1.00 22.64 N ATOM 1334 HD22 ASN B 50 25.768 18.021 26.887 1.00 0.00 H ATOM 1335 HD21 ASN B 50 26.187 19.772 26.842 1.00 0.00 H ATOM 1336 H ASN B 50 24.201 19.132 22.910 1.00 0.00 H ATOM 1337 N PRO B 51 20.983 19.343 25.661 1.00 23.49 N ATOM 1338 CA PRO B 51 19.976 20.364 25.915 1.00 22.64 C ATOM 1339 C PRO B 51 20.553 21.759 26.142 1.00 23.28 C ATOM 1340 O PRO B 51 19.859 22.699 25.927 1.00 24.30 O ATOM 1341 CB PRO B 51 19.243 19.890 27.176 1.00 25.10 C ATOM 1342 CG PRO B 51 19.419 18.420 27.102 1.00 24.45 C ATOM 1343 CD PRO B 51 20.732 18.129 26.459 1.00 23.79 C ATOM 1344 N ALA B 52 21.816 21.843 26.576 1.00 22.31 N ATOM 1345 CA ALA B 52 22.503 23.107 26.711 1.00 23.50 C ATOM 1346 C ALA B 52 22.998 23.615 25.377 1.00 23.53 C ATOM 1347 O ALA B 52 23.598 24.688 25.346 1.00 23.45 O ATOM 1348 CB ALA B 52 23.655 22.947 27.698 1.00 24.14 C ATOM 1349 H ALA B 52 22.321 20.968 26.825 1.00 0.00 H ATOM 1350 N GLY B 53 22.774 22.870 24.305 1.00 23.16 N ATOM 1351 CA GLY B 53 23.193 23.311 22.972 1.00 24.27 C ATOM 1352 C GLY B 53 24.647 23.033 22.630 1.00 24.68 C ATOM 1353 O GLY B 53 25.156 23.553 21.585 1.00 24.65 O ATOM 1354 H GLY B 53 22.292 21.955 24.411 1.00 0.00 H ATOM 1355 N MET B 54 25.341 22.275 23.431 1.00 23.07 N ATOM 1356 CA MET B 54 26.746 21.917 23.066 1.00 24.04 C ATOM 1357 C MET B 54 26.681 20.826 21.988 1.00 23.23 C ATOM 1358 O MET B 54 25.932 19.885 22.108 1.00 21.19 O ATOM 1359 CB MET B 54 27.495 21.373 24.289 1.00 27.76 C ATOM 1360 CG MET B 54 27.833 22.452 25.304 1.00 34.11 C ATOM 1361 SD MET B 54 29.036 23.677 24.774 1.00 42.25 S ATOM 1362 CE MET B 54 28.022 25.061 24.323 1.00 42.82 C ATOM 1363 H MET B 54 24.922 21.923 24.315 1.00 0.00 H ATOM 1364 N ILE B 55 27.523 20.955 20.981 1.00 22.62 N ATOM 1365 CA ILE B 55 27.598 20.041 19.841 1.00 22.86 C ATOM 1366 C ILE B 55 28.795 19.123 19.971 1.00 22.68 C ATOM 1367 O ILE B 55 29.901 19.565 20.295 1.00 22.92 O ATOM 1368 CB ILE B 55 27.638 20.800 18.507 1.00 23.83 C ATOM 1369 CG1 ILE B 55 26.298 21.492 18.274 1.00 24.39 C ATOM 1370 CG2 ILE B 55 27.862 19.905 17.315 1.00 23.57 C ATOM 1371 CD1 ILE B 55 26.418 22.642 17.318 1.00 26.45 C ATOM 1372 H ILE B 55 28.179 21.762 20.999 1.00 0.00 H ATOM 1373 N PHE B 56 28.586 17.855 19.730 1.00 22.04 N ATOM 1374 CA PHE B 56 29.659 16.817 19.846 1.00 22.15 C ATOM 1375 C PHE B 56 29.668 15.950 18.630 1.00 23.27 C ATOM 1376 O PHE B 56 28.577 15.599 18.109 1.00 22.70 O ATOM 1377 CB PHE B 56 29.525 15.898 21.083 1.00 21.07 C ATOM 1378 CG PHE B 56 29.407 16.635 22.425 1.00 22.40 C ATOM 1379 CD1 PHE B 56 28.177 17.082 22.838 1.00 23.12 C ATOM 1380 CD2 PHE B 56 30.531 16.958 23.210 1.00 24.60 C ATOM 1381 CE1 PHE B 56 28.017 17.743 24.047 1.00 25.48 C ATOM 1382 CE2 PHE B 56 30.398 17.669 24.367 1.00 24.65 C ATOM 1383 CZ PHE B 56 29.155 18.067 24.817 1.00 26.30 C ATOM 1384 H PHE B 56 27.632 17.554 19.445 1.00 0.00 H ATOM 1385 N ARG B 57 30.816 15.449 18.246 1.00 21.94 N ATOM 1386 CA ARG B 57 30.935 14.456 17.212 1.00 22.52 C ATOM 1387 C ARG B 57 31.419 13.225 17.898 1.00 21.93 C ATOM 1388 O ARG B 57 32.579 13.175 18.386 1.00 22.13 O ATOM 1389 CB ARG B 57 31.941 14.908 16.112 1.00 25.22 C ATOM 1390 CG ARG B 57 32.136 13.832 15.089 1.00 25.83 C ATOM 1391 CD ARG B 57 32.817 14.373 13.839 1.00 27.98 C ATOM 1392 NE ARG B 57 34.153 14.865 14.169 1.00 30.40 N ATOM 1393 CZ ARG B 57 35.307 14.299 13.796 1.00 31.49 C ATOM 1394 NH1 ARG B 57 35.305 13.185 13.123 1.00 30.98 N ATOM 1395 NH2 ARG B 57 36.431 14.809 14.224 1.00 32.13 N ATOM 1396 HE ARG B 57 34.212 15.730 14.743 1.00 0.00 H ATOM 1397 HH12 ARG B 57 36.205 12.749 12.836 1.00 0.00 H ATOM 1398 HH11 ARG B 57 34.404 12.730 12.873 1.00 0.00 H ATOM 1399 HH22 ARG B 57 37.336 14.381 13.943 1.00 0.00 H ATOM 1400 HH21 ARG B 57 36.420 15.643 14.845 1.00 0.00 H ATOM 1401 H ARG B 57 31.683 15.785 18.711 1.00 0.00 H ATOM 1402 N VAL B 58 30.518 12.268 18.054 1.00 21.85 N ATOM 1403 CA VAL B 58 30.652 11.055 18.839 1.00 21.79 C ATOM 1404 C VAL B 58 30.894 9.854 17.957 1.00 20.63 C ATOM 1405 O VAL B 58 30.243 9.693 16.929 1.00 21.05 O ATOM 1406 CB VAL B 58 29.351 10.834 19.647 1.00 23.66 C ATOM 1407 CG1 VAL B 58 29.386 9.531 20.404 1.00 24.28 C ATOM 1408 CG2 VAL B 58 29.262 11.974 20.670 1.00 25.65 C ATOM 1409 H VAL B 58 29.613 12.400 17.559 1.00 0.00 H ATOM 1410 N TRP B 59 31.868 9.010 18.318 1.00 19.47 N ATOM 1411 CA TRP B 59 32.112 7.716 17.686 1.00 19.70 C ATOM 1412 C TRP B 59 31.686 6.622 18.696 1.00 19.38 C ATOM 1413 O TRP B 59 32.054 6.712 19.877 1.00 18.20 O ATOM 1414 CB TRP B 59 33.554 7.542 17.271 1.00 21.09 C ATOM 1415 CG TRP B 59 33.889 8.226 15.984 1.00 21.45 C ATOM 1416 CD1 TRP B 59 33.217 9.297 15.445 1.00 22.85 C ATOM 1417 CD2 TRP B 59 34.932 7.913 15.073 1.00 23.51 C ATOM 1418 NE1 TRP B 59 33.778 9.658 14.243 1.00 24.83 N ATOM 1419 CE2 TRP B 59 34.868 8.859 14.017 1.00 25.69 C ATOM 1420 CE3 TRP B 59 35.996 7.014 15.102 1.00 24.05 C ATOM 1421 CZ2 TRP B 59 35.786 8.863 12.968 1.00 25.76 C ATOM 1422 CZ3 TRP B 59 36.874 6.985 14.041 1.00 25.39 C ATOM 1423 CH2 TRP B 59 36.777 7.903 12.996 1.00 27.20 C ATOM 1424 HE1 TRP B 59 33.434 10.410 13.612 1.00 0.00 H ATOM 1425 H TRP B 59 32.492 9.294 19.100 1.00 0.00 H ATOM 1426 N CYS B 60 30.932 5.625 18.238 1.00 18.42 N ATOM 1427 CA CYS B 60 30.452 4.585 19.070 1.00 19.30 C ATOM 1428 C CYS B 60 31.456 3.404 19.045 1.00 19.57 C ATOM 1429 O CYS B 60 31.903 2.992 17.972 1.00 19.48 O ATOM 1430 CB CYS B 60 29.134 4.085 18.604 1.00 19.82 C ATOM 1431 SG CYS B 60 27.854 5.370 18.778 1.00 23.18 S ATOM 1432 H CYS B 60 30.686 5.610 17.228 1.00 0.00 H ATOM 1433 N PHE B 61 31.721 2.873 20.248 1.00 19.94 N ATOM 1434 CA PHE B 61 32.567 1.715 20.427 1.00 19.07 C ATOM 1435 C PHE B 61 31.878 0.703 21.332 1.00 18.37 C ATOM 1436 O PHE B 61 31.216 1.097 22.278 1.00 18.15 O ATOM 1437 CB PHE B 61 33.847 2.086 21.136 1.00 19.29 C ATOM 1438 CG PHE B 61 34.758 2.974 20.346 1.00 20.33 C ATOM 1439 CD1 PHE B 61 34.635 4.319 20.360 1.00 21.85 C ATOM 1440 CD2 PHE B 61 35.828 2.395 19.627 1.00 21.34 C ATOM 1441 CE1 PHE B 61 35.498 5.161 19.652 1.00 22.59 C ATOM 1442 CE2 PHE B 61 36.722 3.212 18.934 1.00 23.02 C ATOM 1443 CZ PHE B 61 36.552 4.580 18.912 1.00 22.17 C ATOM 1444 H PHE B 61 31.299 3.314 21.090 1.00 0.00 H ATOM 1445 N SER B 62 32.070 -0.575 21.110 1.00 18.72 N ATOM 1446 CA SER B 62 31.448 -1.610 21.916 1.00 20.05 C ATOM 1447 C SER B 62 31.962 -1.704 23.338 1.00 20.04 C ATOM 1448 O SER B 62 31.170 -1.885 24.260 1.00 23.04 O ATOM 1449 CB SER B 62 31.555 -2.951 21.259 1.00 21.94 C ATOM 1450 OG SER B 62 32.951 -3.211 21.085 1.00 22.91 O ATOM 1451 HG SER B 62 33.348 -2.506 20.515 1.00 0.00 H ATOM 1452 H SER B 62 32.692 -0.858 20.326 1.00 0.00 H ATOM 1453 N LEU B 63 33.251 -1.459 23.523 1.00 20.60 N ATOM 1454 CA LEU B 63 33.936 -1.571 24.804 1.00 18.95 C ATOM 1455 C LEU B 63 34.935 -0.447 24.847 1.00 19.66 C ATOM 1456 O LEU B 63 35.314 0.123 23.832 1.00 19.54 O ATOM 1457 CB LEU B 63 34.720 -2.942 24.853 1.00 20.43 C ATOM 1458 CG LEU B 63 33.957 -4.263 24.636 1.00 22.01 C ATOM 1459 CD1 LEU B 63 34.907 -5.430 24.701 1.00 23.06 C ATOM 1460 CD2 LEU B 63 32.791 -4.545 25.566 1.00 22.96 C ATOM 1461 H LEU B 63 33.812 -1.167 22.697 1.00 0.00 H ATOM 1462 N ALA B 64 35.428 -0.220 26.034 1.00 20.15 N ATOM 1463 CA ALA B 64 36.478 0.721 26.303 1.00 20.66 C ATOM 1464 C ALA B 64 37.089 0.337 27.608 1.00 23.69 C ATOM 1465 O ALA B 64 36.563 -0.556 28.329 1.00 24.44 O ATOM 1466 CB ALA B 64 35.915 2.118 26.375 1.00 20.57 C ATOM 1467 H ALA B 64 35.035 -0.754 26.835 1.00 0.00 H ATOM 1468 N GLN B 65 38.213 0.938 27.886 1.00 24.40 N ATOM 1469 CA GLN B 65 38.958 0.666 29.127 1.00 25.73 C ATOM 1470 C GLN B 65 39.571 1.961 29.562 1.00 24.60 C ATOM 1471 O GLN B 65 39.678 2.913 28.823 1.00 23.89 O ATOM 1472 CB GLN B 65 40.063 -0.344 28.925 1.00 28.75 C ATOM 1473 CG GLN B 65 41.073 0.042 27.846 1.00 31.40 C ATOM 1474 CD GLN B 65 41.952 -1.180 27.469 1.00 35.92 C ATOM 1475 OE1 GLN B 65 41.488 -2.174 26.907 1.00 39.93 O ATOM 1476 NE2 GLN B 65 43.176 -1.126 27.880 1.00 40.34 N ATOM 1477 HE22 GLN B 65 43.529 -0.268 28.350 1.00 0.00 H ATOM 1478 HE21 GLN B 65 43.808 -1.940 27.741 1.00 0.00 H ATOM 1479 H GLN B 65 38.595 1.631 27.210 1.00 0.00 H ATOM 1480 N GLY B 66 39.951 1.961 30.827 1.00 26.14 N ATOM 1481 CA GLY B 66 40.672 3.096 31.370 1.00 27.42 C ATOM 1482 C GLY B 66 39.852 4.342 31.635 1.00 26.29 C ATOM 1483 O GLY B 66 40.407 5.377 31.922 1.00 26.79 O ATOM 1484 H GLY B 66 39.733 1.146 31.435 1.00 0.00 H ATOM 1485 N LEU B 67 38.539 4.225 31.594 1.00 23.86 N ATOM 1486 CA LEU B 67 37.632 5.305 31.919 1.00 21.92 C ATOM 1487 C LEU B 67 37.152 5.215 33.369 1.00 24.06 C ATOM 1488 O LEU B 67 37.345 4.176 34.019 1.00 24.71 O ATOM 1489 CB LEU B 67 36.411 5.325 30.971 1.00 21.39 C ATOM 1490 CG LEU B 67 36.797 5.505 29.514 1.00 21.48 C ATOM 1491 CD1 LEU B 67 35.733 5.094 28.540 1.00 21.04 C ATOM 1492 CD2 LEU B 67 37.202 6.937 29.178 1.00 23.25 C ATOM 1493 H LEU B 67 38.134 3.309 31.314 1.00 0.00 H ATOM 1494 N ARG B 68 36.462 6.247 33.803 1.00 23.13 N ATOM 1495 CA ARG B 68 35.730 6.255 35.046 1.00 26.16 C ATOM 1496 C ARG B 68 34.379 6.853 34.767 1.00 25.20 C ATOM 1497 O ARG B 68 34.265 7.977 34.309 1.00 25.42 O ATOM 1498 CB ARG B 68 36.451 7.053 36.121 1.00 30.36 C ATOM 1499 CG ARG B 68 35.691 7.093 37.424 1.00 33.41 C ATOM 1500 CD ARG B 68 35.750 5.814 38.199 1.00 37.50 C ATOM 1501 NE ARG B 68 35.023 5.874 39.512 1.00 41.02 N ATOM 1502 CZ ARG B 68 35.537 6.231 40.692 1.00 39.51 C ATOM 1503 NH1 ARG B 68 36.771 6.666 40.798 1.00 42.00 N ATOM 1504 NH2 ARG B 68 34.771 6.173 41.782 1.00 42.43 N ATOM 1505 HE ARG B 68 34.017 5.611 39.501 1.00 0.00 H ATOM 1506 HH12 ARG B 68 37.148 6.938 41.728 1.00 0.00 H ATOM 1507 HH11 ARG B 68 37.371 6.739 39.952 1.00 0.00 H ATOM 1508 HH22 ARG B 68 35.160 6.448 42.706 1.00 0.00 H ATOM 1509 HH21 ARG B 68 33.784 5.852 41.708 1.00 0.00 H ATOM 1510 H ARG B 68 36.443 7.106 33.217 1.00 0.00 H ATOM 1511 N LEU B 69 33.330 6.098 35.058 1.00 24.64 N ATOM 1512 CA LEU B 69 31.954 6.442 34.821 1.00 24.57 C ATOM 1513 C LEU B 69 31.404 7.086 36.062 1.00 27.49 C ATOM 1514 O LEU B 69 31.570 6.581 37.202 1.00 28.21 O ATOM 1515 CB LEU B 69 31.178 5.190 34.427 1.00 24.32 C ATOM 1516 CG LEU B 69 31.688 4.440 33.254 1.00 24.96 C ATOM 1517 CD1 LEU B 69 30.695 3.364 32.863 1.00 26.81 C ATOM 1518 CD2 LEU B 69 31.985 5.356 32.119 1.00 24.69 C ATOM 1519 H LEU B 69 33.518 5.174 35.497 1.00 0.00 H ATOM 1520 N ILE B 70 30.813 8.273 35.899 1.00 27.89 N ATOM 1521 CA ILE B 70 30.453 9.057 37.069 1.00 32.35 C ATOM 1522 C ILE B 70 28.936 9.182 37.160 1.00 32.76 C ATOM 1523 O ILE B 70 28.250 9.416 36.172 1.00 32.47 O ATOM 1524 CB ILE B 70 31.186 10.416 37.147 1.00 39.63 C ATOM 1525 CG1 ILE B 70 30.839 11.316 36.011 1.00 42.78 C ATOM 1526 CG2 ILE B 70 32.712 10.205 37.197 1.00 40.19 C ATOM 1527 CD1 ILE B 70 31.476 12.707 36.126 1.00 47.09 C ATOM 1528 H ILE B 70 30.612 8.633 34.944 1.00 0.00 H ATOM 1529 N GLY B 71 28.420 9.022 38.360 1.00 34.13 N ATOM 1530 CA GLY B 71 26.997 9.221 38.617 1.00 34.87 C ATOM 1531 C GLY B 71 26.176 7.965 38.304 1.00 34.29 C ATOM 1532 O GLY B 71 26.681 6.897 37.842 1.00 36.17 O ATOM 1533 H GLY B 71 29.043 8.746 39.146 1.00 0.00 H ATOM 1534 N ALA B 72 24.874 8.114 38.463 1.00 32.14 N ATOM 1535 CA ALA B 72 23.917 7.057 38.140 1.00 32.38 C ATOM 1536 C ALA B 72 23.411 7.262 36.718 1.00 29.41 C ATOM 1537 O ALA B 72 23.434 8.377 36.197 1.00 29.62 O ATOM 1538 CB ALA B 72 22.774 7.106 39.124 1.00 35.83 C ATOM 1539 H ALA B 72 24.515 9.018 38.832 1.00 0.00 H ATOM 1540 N PRO B 73 22.998 6.177 36.055 1.00 29.21 N ATOM 1541 CA PRO B 73 22.527 6.320 34.650 1.00 27.08 C ATOM 1542 C PRO B 73 21.321 7.215 34.544 1.00 28.44 C ATOM 1543 O PRO B 73 20.508 7.293 35.476 1.00 29.77 O ATOM 1544 CB PRO B 73 22.187 4.889 34.249 1.00 28.68 C ATOM 1545 CG PRO B 73 22.971 4.028 35.225 1.00 30.35 C ATOM 1546 CD PRO B 73 22.932 4.773 36.520 1.00 29.40 C ATOM 1547 N SER B 74 21.205 7.942 33.442 1.00 27.55 N ATOM 1548 CA SER B 74 20.021 8.768 33.206 1.00 27.29 C ATOM 1549 C SER B 74 19.516 8.455 31.823 1.00 26.46 C ATOM 1550 O SER B 74 20.306 8.319 30.849 1.00 22.78 O ATOM 1551 CB SER B 74 20.398 10.214 33.286 1.00 29.81 C ATOM 1552 OG SER B 74 19.432 11.146 32.791 1.00 32.00 O ATOM 1553 HG SER B 74 19.782 12.067 32.892 1.00 0.00 H ATOM 1554 H SER B 74 21.967 7.925 32.734 1.00 0.00 H ATOM 1555 N GLY B 75 18.154 8.457 31.760 1.00 27.54 N ATOM 1556 CA GLY B 75 17.492 8.351 30.506 1.00 30.31 C ATOM 1557 C GLY B 75 17.128 9.646 29.843 1.00 30.23 C ATOM 1558 O GLY B 75 16.775 9.622 28.634 1.00 36.75 O ATOM 1559 H GLY B 75 17.596 8.537 32.634 1.00 0.00 H ATOM 1560 N GLU B 76 17.356 10.781 30.507 1.00 29.81 N ATOM 1561 CA GLU B 76 16.985 12.113 29.975 1.00 29.81 C ATOM 1562 C GLU B 76 17.769 12.434 28.688 1.00 26.71 C ATOM 1563 O GLU B 76 18.988 12.436 28.707 1.00 26.58 O ATOM 1564 CB GLU B 76 17.306 13.206 30.991 1.00 34.56 C ATOM 1565 CG GLU B 76 16.537 13.113 32.303 1.00 39.80 C ATOM 1566 CD GLU B 76 15.267 13.932 32.297 1.00 44.51 C ATOM 1567 OE1 GLU B 76 14.535 13.812 33.318 1.00 47.21 O ATOM 1568 OE2 GLU B 76 14.977 14.618 31.248 1.00 45.82 O ATOM 1569 H GLU B 76 17.814 10.728 31.439 1.00 0.00 H ATOM 1570 N PHE B 77 17.072 12.688 27.586 1.00 25.07 N ATOM 1571 CA PHE B 77 17.628 13.150 26.307 1.00 26.41 C ATOM 1572 C PHE B 77 18.740 12.310 25.718 1.00 25.58 C ATOM 1573 O PHE B 77 19.666 12.774 25.040 1.00 24.01 O ATOM 1574 CB PHE B 77 18.158 14.563 26.477 1.00 30.59 C ATOM 1575 CG PHE B 77 17.201 15.487 27.159 1.00 33.43 C ATOM 1576 CD1 PHE B 77 16.030 15.847 26.558 1.00 36.11 C ATOM 1577 CD2 PHE B 77 17.513 15.967 28.408 1.00 37.87 C ATOM 1578 CE1 PHE B 77 15.135 16.649 27.221 1.00 41.00 C ATOM 1579 CE2 PHE B 77 16.617 16.779 29.087 1.00 37.72 C ATOM 1580 CZ PHE B 77 15.455 17.110 28.504 1.00 40.50 C ATOM 1581 H PHE B 77 16.043 12.548 27.633 1.00 0.00 H ATOM 1582 N SER B 78 18.630 11.003 25.963 1.00 24.42 N ATOM 1583 CA SER B 78 19.628 10.070 25.436 1.00 23.53 C ATOM 1584 C SER B 78 19.616 10.161 23.961 1.00 23.17 C ATOM 1585 O SER B 78 18.521 10.092 23.335 1.00 25.44 O ATOM 1586 CB SER B 78 19.235 8.656 25.811 1.00 23.83 C ATOM 1587 OG SER B 78 20.286 7.756 25.381 1.00 23.10 O ATOM 1588 HG SER B 78 20.042 6.827 25.620 1.00 0.00 H ATOM 1589 H SER B 78 17.834 10.646 26.529 1.00 0.00 H ATOM 1590 N TRP B 79 20.791 10.264 23.387 1.00 21.97 N ATOM 1591 CA TRP B 79 20.952 10.256 21.943 1.00 22.45 C ATOM 1592 C TRP B 79 20.705 8.853 21.335 1.00 23.73 C ATOM 1593 O TRP B 79 20.558 8.735 20.117 1.00 24.53 O ATOM 1594 CB TRP B 79 22.324 10.719 21.554 1.00 21.27 C ATOM 1595 CG TRP B 79 22.609 12.154 21.902 1.00 21.60 C ATOM 1596 CD1 TRP B 79 21.780 13.195 21.745 1.00 21.81 C ATOM 1597 CD2 TRP B 79 23.798 12.669 22.522 1.00 20.94 C ATOM 1598 NE1 TRP B 79 22.388 14.331 22.208 1.00 21.56 N ATOM 1599 CE2 TRP B 79 23.623 14.044 22.696 1.00 20.86 C ATOM 1600 CE3 TRP B 79 24.998 12.070 22.963 1.00 22.29 C ATOM 1601 CZ2 TRP B 79 24.608 14.868 23.234 1.00 21.69 C ATOM 1602 CZ3 TRP B 79 25.979 12.849 23.501 1.00 21.09 C ATOM 1603 CH2 TRP B 79 25.808 14.281 23.612 1.00 21.46 C ATOM 1604 HE1 TRP B 79 21.964 15.280 22.189 1.00 0.00 H ATOM 1605 H TRP B 79 21.636 10.354 23.986 1.00 0.00 H ATOM 1606 N PHE B 80 20.573 7.818 22.148 1.00 23.22 N ATOM 1607 CA PHE B 80 20.390 6.471 21.602 1.00 23.64 C ATOM 1608 C PHE B 80 19.184 5.888 22.276 1.00 25.16 C ATOM 1609 O PHE B 80 19.227 5.567 23.447 1.00 23.08 O ATOM 1610 CB PHE B 80 21.649 5.608 21.790 1.00 22.69 C ATOM 1611 CG PHE B 80 22.852 6.175 21.102 1.00 22.31 C ATOM 1612 CD1 PHE B 80 23.040 5.962 19.737 1.00 23.91 C ATOM 1613 CD2 PHE B 80 23.775 6.935 21.780 1.00 22.58 C ATOM 1614 CE1 PHE B 80 24.096 6.584 19.086 1.00 24.32 C ATOM 1615 CE2 PHE B 80 24.872 7.490 21.131 1.00 22.11 C ATOM 1616 CZ PHE B 80 24.971 7.381 19.794 1.00 23.45 C ATOM 1617 H PHE B 80 20.599 7.961 23.178 1.00 0.00 H ATOM 1618 N LYS B 81 18.114 5.751 21.506 1.00 27.56 N ATOM 1619 CA LYS B 81 16.838 5.252 22.001 1.00 30.89 C ATOM 1620 C LYS B 81 16.948 3.923 22.665 1.00 28.80 C ATOM 1621 O LYS B 81 17.651 3.018 22.160 1.00 28.24 O ATOM 1622 CB LYS B 81 15.863 5.194 20.817 1.00 37.05 C ATOM 1623 CG LYS B 81 14.451 4.972 21.269 1.00 42.02 C ATOM 1624 CD LYS B 81 13.476 5.105 20.057 1.00 48.00 C ATOM 1625 CE LYS B 81 12.125 5.779 20.394 1.00 50.78 C ATOM 1626 NZ LYS B 81 10.998 4.897 19.973 1.00 55.54 N ATOM 1627 HZ1 LYS B 81 11.053 4.732 18.948 1.00 0.00 H ATOM 1628 HZ2 LYS B 81 11.064 3.989 20.476 1.00 0.00 H ATOM 1629 HZ3 LYS B 81 10.094 5.358 20.203 1.00 0.00 H ATOM 1630 H LYS B 81 18.189 6.012 20.502 1.00 0.00 H ATOM 1631 N GLY B 82 16.356 3.826 23.841 1.00 28.06 N ATOM 1632 CA GLY B 82 16.408 2.601 24.665 1.00 28.48 C ATOM 1633 C GLY B 82 17.611 2.475 25.586 1.00 26.26 C ATOM 1634 O GLY B 82 17.715 1.466 26.298 1.00 27.13 O ATOM 1635 H GLY B 82 15.830 4.647 24.203 1.00 0.00 H ATOM 1636 N TYR B 83 18.495 3.450 25.631 1.00 23.48 N ATOM 1637 CA TYR B 83 19.652 3.427 26.487 1.00 23.50 C ATOM 1638 C TYR B 83 19.642 4.597 27.451 1.00 23.43 C ATOM 1639 O TYR B 83 19.272 5.679 27.098 1.00 22.84 O ATOM 1640 CB TYR B 83 20.958 3.431 25.678 1.00 22.77 C ATOM 1641 CG TYR B 83 21.156 2.245 24.793 1.00 23.96 C ATOM 1642 CD1 TYR B 83 20.603 2.219 23.496 1.00 25.34 C ATOM 1643 CD2 TYR B 83 21.884 1.132 25.218 1.00 24.84 C ATOM 1644 CE1 TYR B 83 20.810 1.129 22.675 1.00 26.06 C ATOM 1645 CE2 TYR B 83 22.104 0.048 24.409 1.00 25.62 C ATOM 1646 CZ TYR B 83 21.551 0.032 23.125 1.00 28.28 C ATOM 1647 OH TYR B 83 21.742 -1.085 22.349 1.00 27.15 O ATOM 1648 HH TYR B 83 21.353 -1.873 22.805 1.00 0.00 H ATOM 1649 H TYR B 83 18.350 4.277 25.018 1.00 0.00 H ATOM 1650 N ASP B 84 20.213 4.366 28.617 1.00 23.90 N ATOM 1651 CA ASP B 84 20.552 5.368 29.594 1.00 24.78 C ATOM 1652 C ASP B 84 22.068 5.651 29.451 1.00 23.08 C ATOM 1653 O ASP B 84 22.797 4.760 29.096 1.00 22.95 O ATOM 1654 CB ASP B 84 20.311 4.828 31.023 1.00 27.16 C ATOM 1655 CG ASP B 84 18.906 4.935 31.479 1.00 29.19 C ATOM 1656 OD1 ASP B 84 17.989 5.120 30.673 1.00 30.91 O ATOM 1657 OD2 ASP B 84 18.716 4.873 32.742 1.00 34.47 O ATOM 1658 H ASP B 84 20.437 3.378 28.850 1.00 0.00 H ATOM 1659 N TRP B 85 22.465 6.842 29.848 1.00 21.09 N ATOM 1660 CA TRP B 85 23.828 7.293 29.755 1.00 22.73 C ATOM 1661 C TRP B 85 24.433 7.658 31.105 1.00 22.05 C ATOM 1662 O TRP B 85 23.742 8.105 32.023 1.00 22.41 O ATOM 1663 CB TRP B 85 24.005 8.469 28.800 1.00 22.05 C ATOM 1664 CG TRP B 85 23.145 9.650 29.106 1.00 22.95 C ATOM 1665 CD1 TRP B 85 21.898 9.925 28.595 1.00 24.49 C ATOM 1666 CD2 TRP B 85 23.428 10.705 30.008 1.00 24.88 C ATOM 1667 NE1 TRP B 85 21.410 11.058 29.119 1.00 26.06 N ATOM 1668 CE2 TRP B 85 22.329 11.610 29.947 1.00 25.60 C ATOM 1669 CE3 TRP B 85 24.518 11.001 30.852 1.00 26.71 C ATOM 1670 CZ2 TRP B 85 22.259 12.767 30.737 1.00 28.26 C ATOM 1671 CZ3 TRP B 85 24.495 12.193 31.581 1.00 28.06 C ATOM 1672 CH2 TRP B 85 23.340 13.038 31.547 1.00 28.07 C ATOM 1673 HE1 TRP B 85 20.469 11.453 28.920 1.00 0.00 H ATOM 1674 H TRP B 85 21.757 7.490 30.249 1.00 0.00 H ATOM 1675 N THR B 86 25.751 7.482 31.164 1.00 21.38 N ATOM 1676 CA THR B 86 26.556 7.992 32.263 1.00 21.44 C ATOM 1677 C THR B 86 27.763 8.689 31.661 1.00 21.26 C ATOM 1678 O THR B 86 28.296 8.236 30.676 1.00 21.21 O ATOM 1679 CB THR B 86 27.081 6.919 33.225 1.00 21.96 C ATOM 1680 OG1 THR B 86 27.708 5.886 32.484 1.00 20.62 O ATOM 1681 CG2 THR B 86 26.029 6.451 34.164 1.00 22.53 C ATOM 1682 HG1 THR B 86 28.046 5.194 33.106 1.00 0.00 H ATOM 1683 H THR B 86 26.222 6.961 30.397 1.00 0.00 H ATOM 1684 N ILE B 87 28.173 9.765 32.252 1.00 20.80 N ATOM 1685 CA ILE B 87 29.391 10.499 31.873 1.00 23.03 C ATOM 1686 C ILE B 87 30.641 9.622 32.040 1.00 22.66 C ATOM 1687 O ILE B 87 30.797 8.982 33.052 1.00 22.50 O ATOM 1688 CB ILE B 87 29.509 11.798 32.692 1.00 25.48 C ATOM 1689 CG1 ILE B 87 28.374 12.730 32.223 1.00 28.98 C ATOM 1690 CG2 ILE B 87 30.876 12.481 32.496 1.00 27.57 C ATOM 1691 CD1 ILE B 87 28.253 14.036 33.039 1.00 31.08 C ATOM 1692 H ILE B 87 27.607 10.133 33.043 1.00 0.00 H ATOM 1693 N ALA B 88 31.493 9.631 31.032 1.00 21.19 N ATOM 1694 CA ALA B 88 32.775 8.893 31.063 1.00 21.01 C ATOM 1695 C ALA B 88 33.964 9.857 31.040 1.00 22.33 C ATOM 1696 O ALA B 88 34.168 10.551 30.063 1.00 24.06 O ATOM 1697 CB ALA B 88 32.889 7.882 29.920 1.00 20.27 C ATOM 1698 H ALA B 88 31.253 10.179 30.181 1.00 0.00 H ATOM 1699 N LEU B 89 34.750 9.827 32.096 1.00 22.41 N ATOM 1700 CA LEU B 89 36.027 10.526 32.140 1.00 24.24 C ATOM 1701 C LEU B 89 37.202 9.569 31.926 1.00 24.75 C ATOM 1702 O LEU B 89 37.129 8.393 32.271 1.00 24.25 O ATOM 1703 CB LEU B 89 36.212 11.168 33.518 1.00 25.70 C ATOM 1704 CG LEU B 89 35.069 12.030 34.035 1.00 26.47 C ATOM 1705 CD1 LEU B 89 35.427 12.633 35.384 1.00 29.83 C ATOM 1706 CD2 LEU B 89 34.789 13.167 33.087 1.00 27.34 C ATOM 1707 H LEU B 89 34.448 9.284 32.930 1.00 0.00 H ATOM 1708 N CYS B 90 38.310 10.083 31.430 1.00 25.58 N ATOM 1709 CA CYS B 90 39.577 9.351 31.522 1.00 26.95 C ATOM 1710 C CYS B 90 39.902 9.041 33.002 1.00 28.93 C ATOM 1711 O CYS B 90 39.876 9.904 33.833 1.00 30.15 O ATOM 1712 CB CYS B 90 40.757 10.129 30.959 1.00 30.70 C ATOM 1713 SG CYS B 90 42.265 9.062 31.047 1.00 31.29 S ATOM 1714 H CYS B 90 38.285 11.015 30.970 1.00 0.00 H ATOM 1715 N GLY B 91 40.145 7.776 33.316 1.00 30.38 N ATOM 1716 CA GLY B 91 40.357 7.342 34.670 1.00 32.29 C ATOM 1717 C GLY B 91 41.697 7.814 35.223 1.00 33.77 C ATOM 1718 O GLY B 91 41.903 7.939 36.429 1.00 36.90 O ATOM 1719 H GLY B 91 40.184 7.070 32.553 1.00 0.00 H ATOM 1720 N GLN B 92 42.620 8.104 34.326 1.00 33.53 N ATOM 1721 CA GLN B 92 43.964 8.495 34.662 1.00 35.18 C ATOM 1722 C GLN B 92 44.095 10.005 34.856 1.00 35.38 C ATOM 1723 O GLN B 92 44.645 10.452 35.874 1.00 36.60 O ATOM 1724 CB GLN B 92 44.907 7.969 33.543 1.00 36.36 C ATOM 1725 CG GLN B 92 46.344 8.138 33.825 1.00 40.20 C ATOM 1726 CD GLN B 92 47.195 7.054 33.113 1.00 41.59 C ATOM 1727 OE1 GLN B 92 47.458 5.945 33.679 1.00 37.08 O ATOM 1728 NE2 GLN B 92 47.685 7.392 31.901 1.00 39.34 N ATOM 1729 HE22 GLN B 92 47.441 8.311 31.479 1.00 0.00 H ATOM 1730 HE21 GLN B 92 48.306 6.733 31.389 1.00 0.00 H ATOM 1731 H GLN B 92 42.362 8.047 33.320 1.00 0.00 H ATOM 1732 N CYS B 93 43.596 10.784 33.912 1.00 33.92 N ATOM 1733 CA CYS B 93 43.725 12.260 33.997 1.00 35.65 C ATOM 1734 C CYS B 93 42.448 13.071 34.142 1.00 34.65 C ATOM 1735 O CYS B 93 42.498 14.282 34.319 1.00 35.93 O ATOM 1736 CB CYS B 93 44.453 12.790 32.771 1.00 36.78 C ATOM 1737 SG CYS B 93 43.489 12.744 31.266 1.00 35.16 S ATOM 1738 H CYS B 93 43.107 10.357 33.099 1.00 0.00 H ATOM 1739 N GLY B 94 41.290 12.465 34.031 1.00 33.96 N ATOM 1740 CA GLY B 94 40.018 13.167 34.236 1.00 33.48 C ATOM 1741 C GLY B 94 39.368 13.826 33.023 1.00 33.13 C ATOM 1742 O GLY B 94 38.294 14.399 33.156 1.00 33.00 O ATOM 1743 H GLY B 94 41.273 11.454 33.790 1.00 0.00 H ATOM 1744 N SER B 95 40.002 13.778 31.848 1.00 32.20 N ATOM 1745 CA SER B 95 39.376 14.405 30.663 1.00 32.07 C ATOM 1746 C SER B 95 37.989 13.821 30.357 1.00 30.31 C ATOM 1747 O SER B 95 37.820 12.613 30.464 1.00 29.02 O ATOM 1748 CB SER B 95 40.324 14.228 29.480 1.00 34.33 C ATOM 1749 OG SER B 95 39.758 14.713 28.267 1.00 35.37 O ATOM 1750 HG SER B 95 39.556 15.678 28.361 1.00 0.00 H ATOM 1751 H SER B 95 40.925 13.305 31.767 1.00 0.00 H ATOM 1752 N HIS B 96 37.014 14.636 30.022 1.00 28.00 N ATOM 1753 CA HIS B 96 35.673 14.128 29.657 1.00 28.64 C ATOM 1754 C HIS B 96 35.720 13.514 28.274 1.00 27.87 C ATOM 1755 O HIS B 96 35.858 14.257 27.305 1.00 28.97 O ATOM 1756 CB HIS B 96 34.591 15.181 29.718 1.00 29.38 C ATOM 1757 CG HIS B 96 33.245 14.707 29.234 1.00 30.72 C ATOM 1758 ND1 HIS B 96 32.288 15.537 28.667 1.00 32.16 N ATOM 1759 CD2 HIS B 96 32.686 13.472 29.230 1.00 28.47 C ATOM 1760 CE1 HIS B 96 31.201 14.836 28.358 1.00 32.14 C ATOM 1761 NE2 HIS B 96 31.424 13.576 28.670 1.00 28.51 N ATOM 1762 H HIS B 96 37.189 15.661 30.013 1.00 0.00 H ATOM 1763 N LEU B 97 35.700 12.175 28.144 1.00 23.93 N ATOM 1764 CA LEU B 97 35.912 11.528 26.878 1.00 23.59 C ATOM 1765 C LEU B 97 34.628 11.097 26.198 1.00 22.55 C ATOM 1766 O LEU B 97 34.635 10.765 25.013 1.00 21.82 O ATOM 1767 CB LEU B 97 36.895 10.344 27.006 1.00 23.43 C ATOM 1768 CG LEU B 97 38.306 10.640 27.481 1.00 24.71 C ATOM 1769 CD1 LEU B 97 39.240 9.402 27.421 1.00 26.28 C ATOM 1770 CD2 LEU B 97 38.957 11.708 26.630 1.00 26.59 C ATOM 1771 H LEU B 97 35.526 11.590 28.986 1.00 0.00 H ATOM 1772 N GLY B 98 33.525 11.007 26.947 1.00 22.09 N ATOM 1773 CA GLY B 98 32.200 10.739 26.338 1.00 20.54 C ATOM 1774 C GLY B 98 31.217 10.207 27.338 1.00 18.85 C ATOM 1775 O GLY B 98 31.113 10.732 28.445 1.00 18.11 O ATOM 1776 H GLY B 98 33.597 11.127 27.977 1.00 0.00 H ATOM 1777 N TRP B 99 30.497 9.157 26.931 1.00 17.98 N ATOM 1778 CA TRP B 99 29.446 8.574 27.744 1.00 18.82 C ATOM 1779 C TRP B 99 29.410 7.101 27.582 1.00 18.14 C ATOM 1780 O TRP B 99 29.776 6.574 26.526 1.00 17.63 O ATOM 1781 CB TRP B 99 28.084 9.170 27.286 1.00 19.88 C ATOM 1782 CG TRP B 99 27.983 10.668 27.395 1.00 20.24 C ATOM 1783 CD1 TRP B 99 27.536 11.367 28.440 1.00 22.73 C ATOM 1784 CD2 TRP B 99 28.485 11.631 26.445 1.00 20.78 C ATOM 1785 NE1 TRP B 99 27.685 12.696 28.215 1.00 23.84 N ATOM 1786 CE2 TRP B 99 28.252 12.903 26.991 1.00 22.59 C ATOM 1787 CE3 TRP B 99 29.025 11.527 25.155 1.00 22.43 C ATOM 1788 CZ2 TRP B 99 28.570 14.083 26.293 1.00 23.44 C ATOM 1789 CZ3 TRP B 99 29.404 12.732 24.491 1.00 23.96 C ATOM 1790 CH2 TRP B 99 29.135 13.959 25.071 1.00 22.59 C ATOM 1791 HE1 TRP B 99 27.408 13.448 28.878 1.00 0.00 H ATOM 1792 H TRP B 99 30.697 8.743 25.998 1.00 0.00 H ATOM 1793 N HIS B 100 28.937 6.407 28.607 1.00 17.93 N ATOM 1794 CA HIS B 100 28.614 4.980 28.498 1.00 17.85 C ATOM 1795 C HIS B 100 27.105 4.847 28.468 1.00 18.75 C ATOM 1796 O HIS B 100 26.420 5.505 29.218 1.00 20.55 O ATOM 1797 CB HIS B 100 29.118 4.244 29.729 1.00 19.24 C ATOM 1798 CG HIS B 100 29.019 2.748 29.658 1.00 21.43 C ATOM 1799 ND1 HIS B 100 28.396 2.002 30.612 1.00 24.71 N ATOM 1800 CD2 HIS B 100 29.519 1.870 28.765 1.00 23.65 C ATOM 1801 CE1 HIS B 100 28.490 0.717 30.293 1.00 24.25 C ATOM 1802 NE2 HIS B 100 29.162 0.621 29.162 1.00 23.02 N ATOM 1803 H HIS B 100 28.790 6.889 29.517 1.00 0.00 H ATOM 1804 N TYR B 101 26.625 3.940 27.640 1.00 18.09 N ATOM 1805 CA TYR B 101 25.235 3.648 27.436 1.00 19.75 C ATOM 1806 C TYR B 101 24.926 2.270 27.949 1.00 21.19 C ATOM 1807 O TYR B 101 25.702 1.305 27.732 1.00 21.87 O ATOM 1808 CB TYR B 101 24.851 3.787 25.952 1.00 19.30 C ATOM 1809 CG TYR B 101 24.898 5.207 25.506 1.00 18.70 C ATOM 1810 CD1 TYR B 101 23.825 6.060 25.703 1.00 18.32 C ATOM 1811 CD2 TYR B 101 26.101 5.788 25.016 1.00 18.55 C ATOM 1812 CE1 TYR B 101 23.931 7.418 25.403 1.00 18.74 C ATOM 1813 CE2 TYR B 101 26.197 7.124 24.708 1.00 18.23 C ATOM 1814 CZ TYR B 101 25.139 7.949 24.913 1.00 18.27 C ATOM 1815 OH TYR B 101 25.276 9.261 24.577 1.00 19.22 O ATOM 1816 HH TYR B 101 24.434 9.742 24.778 1.00 0.00 H ATOM 1817 H TYR B 101 27.313 3.389 27.088 1.00 0.00 H ATOM 1818 N GLU B 102 23.775 2.158 28.612 1.00 21.40 N ATOM 1819 CA GLU B 102 23.382 0.858 29.132 1.00 23.75 C ATOM 1820 C GLU B 102 21.863 0.738 29.118 1.00 26.05 C ATOM 1821 O GLU B 102 21.121 1.685 28.962 1.00 23.33 O ATOM 1822 CB GLU B 102 23.845 0.660 30.594 1.00 25.42 C ATOM 1823 H GLU B 102 23.166 2.989 28.755 1.00 0.00 H ATOM 1824 N GLY B 103 21.415 -0.464 29.357 1.00 30.54 N ATOM 1825 CA GLY B 103 19.956 -0.689 29.628 1.00 34.17 C ATOM 1826 C GLY B 103 19.197 -1.062 28.380 1.00 37.40 C ATOM 1827 O GLY B 103 17.985 -1.295 28.423 1.00 38.88 O ATOM 1828 H GLY B 103 22.072 -1.270 29.360 1.00 0.00 H ATOM 1829 N GLY B 104 19.916 -1.232 27.283 1.00 37.63 N ATOM 1830 CA GLY B 104 19.309 -1.668 26.022 1.00 41.29 C ATOM 1831 C GLY B 104 19.510 -3.123 25.747 1.00 44.46 C ATOM 1832 O GLY B 104 19.754 -3.884 26.655 1.00 44.35 O ATOM 1833 H GLY B 104 20.940 -1.051 27.316 1.00 0.00 H ATOM 1834 N SER B 105 19.418 -3.494 24.472 1.00 45.89 N ATOM 1835 CA SER B 105 19.574 -4.877 23.987 1.00 47.91 C ATOM 1836 C SER B 105 20.379 -4.878 22.688 1.00 44.23 C ATOM 1837 O SER B 105 20.194 -4.025 21.861 1.00 43.70 O ATOM 1838 CB SER B 105 18.201 -5.530 23.730 1.00 55.15 C ATOM 1839 OG SER B 105 17.395 -4.670 22.939 1.00 59.19 O ATOM 1840 HG SER B 105 17.844 -4.503 22.073 1.00 0.00 H ATOM 1841 H SER B 105 19.222 -2.755 23.767 1.00 0.00 H ATOM 1842 N GLN B 106 21.315 -5.803 22.547 1.00 43.19 N ATOM 1843 CA GLN B 106 22.049 -6.030 21.289 1.00 44.31 C ATOM 1844 C GLN B 106 22.650 -4.738 20.701 1.00 41.24 C ATOM 1845 O GLN B 106 22.242 -4.288 19.630 1.00 42.90 O ATOM 1846 CB GLN B 106 21.143 -6.718 20.253 1.00 48.09 C ATOM 1847 CG GLN B 106 20.591 -8.063 20.721 1.00 52.34 C ATOM 1848 CD GLN B 106 19.521 -8.619 19.797 1.00 58.10 C ATOM 1849 OE1 GLN B 106 19.727 -8.684 18.588 1.00 62.00 O ATOM 1850 NE2 GLN B 106 18.377 -9.041 20.361 1.00 60.54 N ATOM 1851 HE22 GLN B 106 18.246 -8.966 21.390 1.00 0.00 H ATOM 1852 HE21 GLN B 106 17.622 -9.442 19.769 1.00 0.00 H ATOM 1853 H GLN B 106 21.545 -6.401 23.366 1.00 0.00 H ATOM 1854 N PRO B 107 23.607 -4.106 21.391 1.00 35.86 N ATOM 1855 CA PRO B 107 24.220 -4.616 22.612 1.00 32.16 C ATOM 1856 C PRO B 107 23.570 -4.037 23.837 1.00 31.83 C ATOM 1857 O PRO B 107 22.890 -2.946 23.759 1.00 28.97 O ATOM 1858 CB PRO B 107 25.637 -4.146 22.469 1.00 33.00 C ATOM 1859 CG PRO B 107 25.476 -2.774 21.794 1.00 31.43 C ATOM 1860 CD PRO B 107 24.359 -2.992 20.801 1.00 31.51 C ATOM 1861 N GLN B 108 23.745 -4.682 24.979 1.00 28.83 N ATOM 1862 CA GLN B 108 23.201 -4.115 26.196 1.00 29.70 C ATOM 1863 C GLN B 108 23.892 -2.810 26.601 1.00 27.39 C ATOM 1864 O GLN B 108 23.223 -1.931 27.149 1.00 28.08 O ATOM 1865 CB GLN B 108 23.241 -5.138 27.313 1.00 31.43 C ATOM 1866 CG GLN B 108 22.187 -6.240 27.120 1.00 38.79 C ATOM 1867 CD GLN B 108 22.254 -7.272 28.208 1.00 42.26 C ATOM 1868 OE1 GLN B 108 22.484 -6.977 29.403 1.00 45.72 O ATOM 1869 NE2 GLN B 108 22.135 -8.498 27.809 1.00 50.47 N ATOM 1870 HE22 GLN B 108 21.944 -8.703 26.807 1.00 0.00 H ATOM 1871 HE21 GLN B 108 22.231 -9.278 28.490 1.00 0.00 H ATOM 1872 H GLN B 108 24.265 -5.582 25.003 1.00 0.00 H ATOM 1873 N THR B 109 25.201 -2.737 26.364 1.00 24.63 N ATOM 1874 CA THR B 109 26.041 -1.594 26.668 1.00 24.18 C ATOM 1875 C THR B 109 26.995 -1.217 25.533 1.00 23.02 C ATOM 1876 O THR B 109 27.352 -2.048 24.719 1.00 21.87 O ATOM 1877 CB THR B 109 26.910 -1.832 27.896 1.00 25.52 C ATOM 1878 OG1 THR B 109 27.842 -2.843 27.610 1.00 29.39 O ATOM 1879 CG2 THR B 109 26.018 -2.241 29.129 1.00 27.29 C ATOM 1880 HG1 THR B 109 27.362 -3.676 27.375 1.00 0.00 H ATOM 1881 H THR B 109 25.656 -3.564 25.927 1.00 0.00 H ATOM 1882 N PHE B 110 27.366 0.060 25.475 1.00 20.37 N ATOM 1883 CA PHE B 110 28.401 0.556 24.551 1.00 19.25 C ATOM 1884 C PHE B 110 28.814 1.968 25.002 1.00 18.37 C ATOM 1885 O PHE B 110 28.266 2.513 25.954 1.00 18.88 O ATOM 1886 CB PHE B 110 27.877 0.582 23.087 1.00 20.25 C ATOM 1887 CG PHE B 110 26.803 1.623 22.822 1.00 20.08 C ATOM 1888 CD1 PHE B 110 25.464 1.319 23.079 1.00 22.17 C ATOM 1889 CD2 PHE B 110 27.112 2.873 22.269 1.00 20.26 C ATOM 1890 CE1 PHE B 110 24.482 2.269 22.808 1.00 22.76 C ATOM 1891 CE2 PHE B 110 26.145 3.805 22.072 1.00 21.27 C ATOM 1892 CZ PHE B 110 24.836 3.514 22.295 1.00 21.02 C ATOM 1893 H PHE B 110 26.904 0.740 26.112 1.00 0.00 H ATOM 1894 N PHE B 111 29.801 2.516 24.314 1.00 17.30 N ATOM 1895 CA PHE B 111 30.357 3.828 24.590 1.00 18.24 C ATOM 1896 C PHE B 111 30.133 4.745 23.410 1.00 17.33 C ATOM 1897 O PHE B 111 30.366 4.353 22.274 1.00 18.46 O ATOM 1898 CB PHE B 111 31.857 3.807 24.919 1.00 18.03 C ATOM 1899 CG PHE B 111 32.179 3.184 26.235 1.00 18.92 C ATOM 1900 CD1 PHE B 111 32.324 1.810 26.309 1.00 20.18 C ATOM 1901 CD2 PHE B 111 32.348 3.941 27.376 1.00 20.58 C ATOM 1902 CE1 PHE B 111 32.622 1.181 27.521 1.00 21.76 C ATOM 1903 CE2 PHE B 111 32.692 3.341 28.600 1.00 21.68 C ATOM 1904 CZ PHE B 111 32.831 1.934 28.656 1.00 21.44 C ATOM 1905 H PHE B 111 30.205 1.972 23.525 1.00 0.00 H ATOM 1906 N GLY B 112 29.864 6.003 23.702 1.00 17.21 N ATOM 1907 CA GLY B 112 29.887 7.072 22.710 1.00 17.46 C ATOM 1908 C GLY B 112 31.016 8.024 23.154 1.00 17.25 C ATOM 1909 O GLY B 112 30.936 8.685 24.176 1.00 17.86 O ATOM 1910 H GLY B 112 29.624 6.244 24.685 1.00 0.00 H ATOM 1911 N LEU B 113 32.076 8.032 22.413 1.00 17.23 N ATOM 1912 CA LEU B 113 33.282 8.781 22.787 1.00 19.24 C ATOM 1913 C LEU B 113 33.476 9.978 21.840 1.00 20.19 C ATOM 1914 O LEU B 113 33.230 9.884 20.662 1.00 21.35 O ATOM 1915 CB LEU B 113 34.512 7.909 22.795 1.00 20.42 C ATOM 1916 CG LEU B 113 34.492 6.650 23.669 1.00 22.25 C ATOM 1917 CD1 LEU B 113 35.772 5.867 23.626 1.00 23.02 C ATOM 1918 CD2 LEU B 113 34.204 7.077 25.104 1.00 25.55 C ATOM 1919 H LEU B 113 32.074 7.491 21.525 1.00 0.00 H ATOM 1920 N ILE B 114 33.985 11.063 22.376 1.00 20.40 N ATOM 1921 CA ILE B 114 34.191 12.297 21.649 1.00 22.23 C ATOM 1922 C ILE B 114 35.428 12.203 20.792 1.00 20.94 C ATOM 1923 O ILE B 114 36.557 12.130 21.329 1.00 22.57 O ATOM 1924 CB ILE B 114 34.224 13.480 22.586 1.00 23.77 C ATOM 1925 CG1 ILE B 114 32.920 13.536 23.426 1.00 24.00 C ATOM 1926 CG2 ILE B 114 34.404 14.823 21.814 1.00 25.25 C ATOM 1927 CD1 ILE B 114 33.007 14.439 24.641 1.00 25.82 C ATOM 1928 H ILE B 114 34.255 11.034 23.380 1.00 0.00 H ATOM 1929 N LYS B 115 35.259 12.070 19.477 1.00 20.89 N ATOM 1930 CA LYS B 115 36.362 11.758 18.572 1.00 23.08 C ATOM 1931 C LYS B 115 37.554 12.675 18.707 1.00 24.74 C ATOM 1932 O LYS B 115 38.661 12.202 18.740 1.00 24.99 O ATOM 1933 CB LYS B 115 35.895 11.799 17.104 1.00 25.59 C ATOM 1934 CG LYS B 115 36.964 11.580 16.011 1.00 28.01 C ATOM 1935 CD LYS B 115 37.803 10.295 16.079 1.00 27.34 C ATOM 1936 CE LYS B 115 38.675 10.095 14.834 1.00 29.45 C ATOM 1937 NZ LYS B 115 39.644 11.258 14.676 1.00 32.28 N ATOM 1938 HZ1 LYS B 115 39.108 12.144 14.577 1.00 0.00 H ATOM 1939 HZ2 LYS B 115 40.256 11.314 15.515 1.00 0.00 H ATOM 1940 HZ3 LYS B 115 40.228 11.108 13.828 1.00 0.00 H ATOM 1941 H LYS B 115 34.306 12.193 19.080 1.00 0.00 H ATOM 1942 N ASP B 116 37.320 13.956 18.849 1.00 25.62 N ATOM 1943 CA ASP B 116 38.348 15.009 19.003 1.00 27.18 C ATOM 1944 C ASP B 116 39.166 14.941 20.270 1.00 27.93 C ATOM 1945 O ASP B 116 40.178 15.632 20.390 1.00 26.61 O ATOM 1946 CB ASP B 116 37.660 16.385 19.124 1.00 28.91 C ATOM 1947 CG ASP B 116 37.116 16.899 17.845 1.00 29.25 C ATOM 1948 OD1 ASP B 116 37.505 16.331 16.816 1.00 28.95 O ATOM 1949 OD2 ASP B 116 36.282 17.843 17.924 1.00 28.66 O ATOM 1950 H ASP B 116 36.325 14.259 18.854 1.00 0.00 H ATOM 1951 N ARG B 117 38.719 14.151 21.242 1.00 26.35 N ATOM 1952 CA ARG B 117 39.410 13.961 22.500 1.00 26.78 C ATOM 1953 C ARG B 117 40.262 12.737 22.571 1.00 26.07 C ATOM 1954 O ARG B 117 40.829 12.417 23.624 1.00 28.81 O ATOM 1955 CB ARG B 117 38.370 13.985 23.603 1.00 29.76 C ATOM 1956 CG ARG B 117 37.669 15.339 23.585 1.00 32.99 C ATOM 1957 CD ARG B 117 36.851 15.720 24.718 1.00 36.40 C ATOM 1958 NE ARG B 117 36.094 16.953 24.409 1.00 40.64 N ATOM 1959 CZ ARG B 117 35.257 17.543 25.258 1.00 42.92 C ATOM 1960 NH1 ARG B 117 35.066 17.031 26.476 1.00 37.11 N ATOM 1961 NH2 ARG B 117 34.619 18.650 24.891 1.00 47.88 N ATOM 1962 HE ARG B 117 36.224 17.384 23.472 1.00 0.00 H ATOM 1963 HH12 ARG B 117 34.411 17.494 27.138 1.00 0.00 H ATOM 1964 HH11 ARG B 117 35.572 16.169 26.763 1.00 0.00 H ATOM 1965 HH22 ARG B 117 33.963 19.115 25.551 1.00 0.00 H ATOM 1966 HH21 ARG B 117 34.775 19.051 23.944 1.00 0.00 H ATOM 1967 H ARG B 117 37.825 13.642 21.090 1.00 0.00 H ATOM 1968 N LEU B 118 40.314 11.992 21.461 1.00 25.02 N ATOM 1969 CA LEU B 118 41.063 10.755 21.368 1.00 24.88 C ATOM 1970 C LEU B 118 42.169 10.982 20.332 1.00 26.05 C ATOM 1971 O LEU B 118 42.058 11.853 19.475 1.00 26.48 O ATOM 1972 CB LEU B 118 40.165 9.650 20.881 1.00 24.48 C ATOM 1973 CG LEU B 118 38.965 9.360 21.744 1.00 24.57 C ATOM 1974 CD1 LEU B 118 38.115 8.331 21.032 1.00 25.48 C ATOM 1975 CD2 LEU B 118 39.374 8.879 23.133 1.00 25.75 C ATOM 1976 H LEU B 118 39.791 12.317 20.623 1.00 0.00 H ATOM 1977 N ALA B 119 43.181 10.162 20.426 1.00 25.63 N ATOM 1978 CA ALA B 119 44.242 10.143 19.432 1.00 28.20 C ATOM 1979 C ALA B 119 44.346 8.721 18.934 1.00 27.79 C ATOM 1980 O ALA B 119 44.477 7.850 19.727 1.00 29.51 O ATOM 1981 CB ALA B 119 45.576 10.585 20.020 1.00 30.98 C ATOM 1982 H ALA B 119 43.229 9.506 21.232 1.00 0.00 H ATOM 1983 N GLU B 120 44.353 8.503 17.621 1.00 27.33 N ATOM 1984 CA GLU B 120 44.492 7.194 17.037 1.00 28.62 C ATOM 1985 C GLU B 120 45.949 6.932 16.641 1.00 29.34 C ATOM 1986 O GLU B 120 46.577 7.774 16.116 1.00 27.44 O ATOM 1987 CB GLU B 120 43.580 7.068 15.822 1.00 29.59 C ATOM 1988 CG GLU B 120 43.508 5.630 15.329 1.00 32.78 C ATOM 1989 CD GLU B 120 42.495 5.366 14.201 1.00 33.91 C ATOM 1990 OE1 GLU B 120 41.899 6.287 13.675 1.00 35.02 O ATOM 1991 OE2 GLU B 120 42.358 4.205 13.821 1.00 35.93 O ATOM 1992 H GLU B 120 44.253 9.319 16.985 1.00 0.00 H ATOM 1993 N GLY B 121 46.394 5.715 16.888 1.00 29.74 N ATOM 1994 CA GLY B 121 47.780 5.351 16.630 1.00 34.33 C ATOM 1995 C GLY B 121 47.994 3.848 16.773 1.00 36.48 C ATOM 1996 O GLY B 121 47.108 3.123 17.156 1.00 34.09 O ATOM 1997 H GLY B 121 45.743 5.002 17.274 1.00 0.00 H ATOM 1998 N PRO B 122 49.179 3.384 16.458 1.00 39.96 N ATOM 1999 CA PRO B 122 49.489 1.980 16.601 1.00 42.24 C ATOM 2000 C PRO B 122 49.612 1.573 18.053 1.00 44.02 C ATOM 2001 O PRO B 122 49.954 2.386 18.896 1.00 43.16 O ATOM 2002 CB PRO B 122 50.833 1.841 15.884 1.00 45.23 C ATOM 2003 CG PRO B 122 51.461 3.225 16.003 1.00 45.81 C ATOM 2004 CD PRO B 122 50.331 4.214 16.040 1.00 44.16 C ATOM 2005 N ALA B 123 49.224 0.343 18.337 1.00 47.28 N ATOM 2006 CA ALA B 123 49.285 -0.202 19.697 1.00 50.35 C ATOM 2007 C ALA B 123 50.724 -0.370 20.125 1.00 55.23 C ATOM 2008 O ALA B 123 51.485 -0.909 19.323 1.00 58.80 O ATOM 2009 CB ALA B 123 48.622 -1.553 19.702 1.00 50.87 C ATOM 2010 H ALA B 123 48.863 -0.260 17.570 1.00 0.00 H TER 2011 ALA B 123 ATOM 2012 N GLY C 18 24.046 12.077 -13.874 1.00 62.02 N ATOM 2013 CA GLY C 18 24.293 12.265 -12.413 1.00 63.08 C ATOM 2014 C GLY C 18 24.564 10.978 -11.647 1.00 62.23 C ATOM 2015 O GLY C 18 25.094 11.037 -10.555 1.00 55.69 O ATOM 2016 HN3 GLY C 18 23.216 11.464 -14.008 1.00 0.00 H ATOM 2017 HN2 GLY C 18 24.879 11.634 -14.311 1.00 0.00 H ATOM 2018 HN1 GLY C 18 23.871 13.002 -14.317 1.00 0.00 H ATOM 2019 N ALA C 19 24.119 9.836 -12.203 1.00 57.78 N ATOM 2020 CA ALA C 19 24.285 8.518 -11.586 1.00 54.47 C ATOM 2021 C ALA C 19 24.766 7.492 -12.594 1.00 49.86 C ATOM 2022 O ALA C 19 24.247 6.424 -12.745 1.00 55.30 O ATOM 2023 CB ALA C 19 22.974 8.062 -10.974 1.00 60.47 C ATOM 2024 H ALA C 19 23.631 9.892 -13.120 1.00 0.00 H ATOM 2025 N SER C 20 25.869 7.805 -13.233 1.00 43.87 N ATOM 2026 CA SER C 20 26.386 7.096 -14.350 1.00 41.33 C ATOM 2027 C SER C 20 27.647 6.234 -13.996 1.00 39.69 C ATOM 2028 O SER C 20 27.970 5.265 -14.698 1.00 36.06 O ATOM 2029 CB SER C 20 26.644 8.160 -15.430 1.00 45.06 C ATOM 2030 OG SER C 20 27.675 7.862 -16.329 1.00 45.04 O ATOM 2031 HG SER C 20 27.462 7.022 -16.807 1.00 0.00 H ATOM 2032 H SER C 20 26.403 8.632 -12.897 1.00 0.00 H ATOM 2033 N ILE C 21 28.420 6.629 -12.990 1.00 34.59 N ATOM 2034 CA ILE C 21 29.625 5.907 -12.562 1.00 32.96 C ATOM 2035 C ILE C 21 29.460 5.478 -11.098 1.00 33.07 C ATOM 2036 O ILE C 21 28.814 6.229 -10.317 1.00 32.02 O ATOM 2037 CB ILE C 21 30.835 6.851 -12.671 1.00 36.51 C ATOM 2038 CG1 ILE C 21 31.122 7.208 -14.137 1.00 36.36 C ATOM 2039 CG2 ILE C 21 32.102 6.242 -12.103 1.00 35.70 C ATOM 2040 CD1 ILE C 21 31.384 6.019 -15.065 1.00 37.51 C ATOM 2041 H ILE C 21 28.158 7.496 -12.478 1.00 0.00 H ATOM 2042 N PHE C 22 29.833 4.228 -10.807 1.00 29.82 N ATOM 2043 CA PHE C 22 29.645 3.696 -9.480 1.00 29.85 C ATOM 2044 C PHE C 22 30.998 3.491 -8.858 1.00 28.92 C ATOM 2045 O PHE C 22 31.906 2.871 -9.511 1.00 27.05 O ATOM 2046 CB PHE C 22 28.937 2.333 -9.514 1.00 33.36 C ATOM 2047 CG PHE C 22 27.543 2.397 -10.076 1.00 39.70 C ATOM 2048 CD1 PHE C 22 27.330 2.504 -11.465 1.00 40.88 C ATOM 2049 CD2 PHE C 22 26.452 2.397 -9.239 1.00 43.42 C ATOM 2050 CE1 PHE C 22 26.062 2.623 -11.968 1.00 44.08 C ATOM 2051 CE2 PHE C 22 25.165 2.439 -9.758 1.00 48.01 C ATOM 2052 CZ PHE C 22 24.971 2.586 -11.128 1.00 47.16 C ATOM 2053 H PHE C 22 30.263 3.634 -11.544 1.00 0.00 H ATOM 2054 N ARG C 23 31.139 3.955 -7.604 1.00 29.63 N ATOM 2055 CA ARG C 23 32.422 3.961 -6.869 1.00 31.63 C ATOM 2056 C ARG C 23 32.265 3.330 -5.487 1.00 31.46 C ATOM 2057 O ARG C 23 31.214 3.359 -4.913 1.00 31.87 O ATOM 2058 CB ARG C 23 32.913 5.408 -6.592 1.00 34.33 C ATOM 2059 CG ARG C 23 33.230 6.167 -7.821 1.00 39.01 C ATOM 2060 CD ARG C 23 33.147 7.699 -7.658 1.00 43.87 C ATOM 2061 NE ARG C 23 33.393 8.221 -9.006 1.00 45.48 N ATOM 2062 CZ ARG C 23 34.476 7.936 -9.710 1.00 47.78 C ATOM 2063 NH1 ARG C 23 35.514 7.246 -9.163 1.00 47.64 N ATOM 2064 NH2 ARG C 23 34.580 8.412 -10.934 1.00 48.34 N ATOM 2065 HE ARG C 23 32.679 8.847 -9.430 1.00 0.00 H ATOM 2066 HH12 ARG C 23 36.356 7.033 -9.735 1.00 0.00 H ATOM 2067 HH11 ARG C 23 35.465 6.932 -8.173 1.00 0.00 H ATOM 2068 HH22 ARG C 23 35.423 8.200 -11.505 1.00 0.00 H ATOM 2069 HH21 ARG C 23 33.819 9.000 -11.330 1.00 0.00 H ATOM 2070 H ARG C 23 30.297 4.331 -7.123 1.00 0.00 H ATOM 2071 N CYS C 24 33.372 2.851 -4.934 1.00 32.14 N ATOM 2072 CA CYS C 24 33.384 2.466 -3.534 1.00 32.42 C ATOM 2073 C CYS C 24 32.970 3.636 -2.598 1.00 34.29 C ATOM 2074 O CYS C 24 33.524 4.659 -2.674 1.00 32.75 O ATOM 2075 CB CYS C 24 34.762 1.966 -3.145 1.00 32.46 C ATOM 2076 SG CYS C 24 34.900 1.504 -1.378 1.00 30.02 S ATOM 2077 H CYS C 24 34.235 2.751 -5.506 1.00 0.00 H ATOM 2078 N ARG C 25 31.975 3.439 -1.759 1.00 34.42 N ATOM 2079 CA ARG C 25 31.496 4.443 -0.793 1.00 38.77 C ATOM 2080 C ARG C 25 32.549 4.849 0.224 1.00 39.41 C ATOM 2081 O ARG C 25 32.569 6.022 0.680 1.00 40.41 O ATOM 2082 CB ARG C 25 30.258 3.936 -0.056 1.00 39.13 C ATOM 2083 CG ARG C 25 29.908 4.538 1.293 1.00 42.65 C ATOM 2084 CD ARG C 25 28.747 3.824 1.917 1.00 42.37 C ATOM 2085 H ARG C 25 31.497 2.516 -1.779 1.00 0.00 H ATOM 2086 N GLN C 26 33.411 3.910 0.587 1.00 38.34 N ATOM 2087 CA GLN C 26 34.409 4.128 1.668 1.00 39.49 C ATOM 2088 C GLN C 26 35.631 4.850 1.212 1.00 39.75 C ATOM 2089 O GLN C 26 36.239 5.585 2.011 1.00 40.54 O ATOM 2090 CB GLN C 26 34.802 2.803 2.336 1.00 42.54 C ATOM 2091 CG GLN C 26 34.991 2.924 3.854 1.00 52.77 C ATOM 2092 CD GLN C 26 33.688 3.346 4.528 1.00 55.34 C ATOM 2093 OE1 GLN C 26 33.664 4.327 5.260 1.00 63.19 O ATOM 2094 NE2 GLN C 26 32.584 2.629 4.245 1.00 58.19 N ATOM 2095 HE22 GLN C 26 32.648 1.802 3.618 1.00 0.00 H ATOM 2096 HE21 GLN C 26 31.667 2.902 4.653 1.00 0.00 H ATOM 2097 H GLN C 26 33.389 2.991 0.100 1.00 0.00 H ATOM 2098 N CYS C 27 36.055 4.646 -0.055 1.00 34.44 N ATOM 2099 CA CYS C 27 37.269 5.330 -0.519 1.00 32.24 C ATOM 2100 C CYS C 27 37.186 5.998 -1.862 1.00 31.95 C ATOM 2101 O CYS C 27 38.069 6.721 -2.213 1.00 35.95 O ATOM 2102 CB CYS C 27 38.447 4.365 -0.530 1.00 31.23 C ATOM 2103 SG CYS C 27 38.349 3.148 -1.880 1.00 27.90 S ATOM 2104 H CYS C 27 35.529 4.014 -0.692 1.00 0.00 H ATOM 2105 N GLY C 28 36.095 5.780 -2.610 1.00 31.44 N ATOM 2106 CA GLY C 28 35.904 6.311 -3.933 1.00 34.03 C ATOM 2107 C GLY C 28 36.543 5.601 -5.132 1.00 31.41 C ATOM 2108 O GLY C 28 36.491 6.115 -6.246 1.00 30.67 O ATOM 2109 H GLY C 28 35.339 5.190 -2.208 1.00 0.00 H ATOM 2110 N GLN C 29 37.164 4.451 -4.903 1.00 30.21 N ATOM 2111 CA GLN C 29 37.692 3.637 -6.042 1.00 27.88 C ATOM 2112 C GLN C 29 36.616 3.452 -7.108 1.00 28.42 C ATOM 2113 O GLN C 29 35.516 3.073 -6.784 1.00 30.66 O ATOM 2114 CB GLN C 29 38.081 2.258 -5.508 1.00 28.14 C ATOM 2115 CG GLN C 29 38.432 1.213 -6.539 1.00 29.19 C ATOM 2116 CD GLN C 29 39.885 1.117 -6.881 1.00 31.29 C ATOM 2117 OE1 GLN C 29 40.491 2.102 -7.137 1.00 33.60 O ATOM 2118 NE2 GLN C 29 40.451 -0.082 -6.887 1.00 34.05 N ATOM 2119 HE22 GLN C 29 39.887 -0.925 -6.657 1.00 0.00 H ATOM 2120 HE21 GLN C 29 41.459 -0.180 -7.122 1.00 0.00 H ATOM 2121 H GLN C 29 37.284 4.114 -3.927 1.00 0.00 H ATOM 2122 N THR C 30 36.928 3.708 -8.356 1.00 29.28 N ATOM 2123 CA THR C 30 36.008 3.496 -9.470 1.00 30.17 C ATOM 2124 C THR C 30 35.775 2.001 -9.618 1.00 28.51 C ATOM 2125 O THR C 30 36.774 1.213 -9.658 1.00 30.02 O ATOM 2126 CB THR C 30 36.609 4.026 -10.800 1.00 34.22 C ATOM 2127 OG1 THR C 30 37.006 5.396 -10.612 1.00 39.57 O ATOM 2128 CG2 THR C 30 35.557 3.934 -11.936 1.00 36.39 C ATOM 2129 HG1 THR C 30 37.391 5.745 -11.454 1.00 0.00 H ATOM 2130 H THR C 30 37.877 4.080 -8.562 1.00 0.00 H ATOM 2131 N ILE C 31 34.498 1.584 -9.681 1.00 27.86 N ATOM 2132 CA ILE C 31 34.165 0.134 -9.773 1.00 28.00 C ATOM 2133 C ILE C 31 33.435 -0.262 -11.073 1.00 30.12 C ATOM 2134 O ILE C 31 33.835 -1.230 -11.746 1.00 30.71 O ATOM 2135 CB ILE C 31 33.338 -0.333 -8.585 1.00 29.30 C ATOM 2136 CG1 ILE C 31 34.032 -0.022 -7.245 1.00 31.21 C ATOM 2137 CG2 ILE C 31 33.016 -1.844 -8.681 1.00 31.74 C ATOM 2138 CD1 ILE C 31 35.358 -0.779 -7.056 1.00 32.22 C ATOM 2139 H ILE C 31 33.730 2.285 -9.665 1.00 0.00 H ATOM 2140 N SER C 32 32.392 0.463 -11.436 1.00 30.11 N ATOM 2141 CA SER C 32 31.676 0.129 -12.648 1.00 31.03 C ATOM 2142 C SER C 32 30.892 1.331 -13.185 1.00 32.45 C ATOM 2143 O SER C 32 31.016 2.457 -12.687 1.00 30.37 O ATOM 2144 CB SER C 32 30.726 -1.045 -12.348 1.00 34.10 C ATOM 2145 OG SER C 32 30.303 -1.647 -13.575 1.00 35.03 O ATOM 2146 HG SER C 32 31.094 -1.981 -14.067 1.00 0.00 H ATOM 2147 H SER C 32 32.087 1.269 -10.854 1.00 0.00 H ATOM 2148 N ARG C 33 30.072 1.075 -14.221 1.00 33.69 N ATOM 2149 CA ARG C 33 29.464 2.142 -15.009 1.00 39.01 C ATOM 2150 C ARG C 33 28.034 1.749 -15.328 1.00 39.26 C ATOM 2151 O ARG C 33 27.710 0.594 -15.470 1.00 34.07 O ATOM 2152 CB ARG C 33 30.225 2.390 -16.332 1.00 44.10 C ATOM 2153 CG ARG C 33 31.746 2.258 -16.279 1.00 52.71 C ATOM 2154 CD ARG C 33 32.433 2.501 -17.613 1.00 53.26 C ATOM 2155 NE ARG C 33 32.162 3.840 -18.113 1.00 63.56 N ATOM 2156 CZ ARG C 33 31.368 4.123 -19.156 1.00 73.06 C ATOM 2157 NH1 ARG C 33 31.196 5.393 -19.521 1.00 78.40 N ATOM 2158 NH2 ARG C 33 30.744 3.171 -19.867 1.00 76.85 N ATOM 2159 HE ARG C 33 32.618 4.637 -17.625 1.00 0.00 H ATOM 2160 HH12 ARG C 33 30.582 5.623 -20.328 1.00 0.00 H ATOM 2161 HH11 ARG C 33 31.675 6.154 -18.998 1.00 0.00 H ATOM 2162 HH22 ARG C 33 30.137 3.435 -20.669 1.00 0.00 H ATOM 2163 HH21 ARG C 33 30.868 2.169 -19.616 1.00 0.00 H ATOM 2164 H ARG C 33 29.865 0.086 -14.468 1.00 0.00 H ATOM 2165 N ARG C 34 27.182 2.761 -15.437 1.00 39.04 N ATOM 2166 CA ARG C 34 25.793 2.541 -15.815 1.00 42.60 C ATOM 2167 C ARG C 34 25.647 1.809 -17.157 1.00 42.72 C ATOM 2168 O ARG C 34 24.765 0.990 -17.303 1.00 39.74 O ATOM 2169 CB ARG C 34 25.008 3.859 -15.826 1.00 44.72 C ATOM 2170 CG ARG C 34 23.508 3.616 -16.111 1.00 51.48 C ATOM 2171 CD ARG C 34 22.572 4.758 -15.736 1.00 53.94 C ATOM 2172 NE ARG C 34 22.483 4.980 -14.289 1.00 56.51 N ATOM 2173 CZ ARG C 34 21.671 4.347 -13.436 1.00 58.91 C ATOM 2174 NH1 ARG C 34 20.847 3.375 -13.816 1.00 62.11 N ATOM 2175 NH2 ARG C 34 21.681 4.703 -12.158 1.00 57.49 N ATOM 2176 HE ARG C 34 23.114 5.702 -13.886 1.00 0.00 H ATOM 2177 HH12 ARG C 34 20.233 2.911 -13.117 1.00 0.00 H ATOM 2178 HH11 ARG C 34 20.817 3.079 -14.813 1.00 0.00 H ATOM 2179 HH22 ARG C 34 21.057 4.222 -11.479 1.00 0.00 H ATOM 2180 HH21 ARG C 34 22.313 5.463 -11.835 1.00 0.00 H ATOM 2181 H ARG C 34 27.513 3.729 -15.249 1.00 0.00 H ATOM 2182 N ASP C 35 26.525 2.085 -18.100 1.00 44.68 N ATOM 2183 CA ASP C 35 26.611 1.351 -19.399 1.00 51.63 C ATOM 2184 C ASP C 35 26.697 -0.202 -19.230 1.00 51.78 C ATOM 2185 O ASP C 35 26.285 -0.961 -20.108 1.00 49.34 O ATOM 2186 CB ASP C 35 27.845 1.932 -20.117 1.00 57.32 C ATOM 2187 CG ASP C 35 28.089 1.374 -21.483 1.00 64.79 C ATOM 2188 OD1 ASP C 35 27.102 0.993 -22.142 1.00 73.27 O ATOM 2189 OD2 ASP C 35 29.288 1.347 -21.897 1.00 65.26 O ATOM 2190 H ASP C 35 27.198 2.860 -17.930 1.00 0.00 H ATOM 2191 N TRP C 36 27.218 -0.657 -18.091 1.00 46.79 N ATOM 2192 CA TRP C 36 27.453 -2.084 -17.868 1.00 45.60 C ATOM 2193 C TRP C 36 26.358 -2.707 -16.982 1.00 43.94 C ATOM 2194 O TRP C 36 26.429 -3.886 -16.603 1.00 40.07 O ATOM 2195 CB TRP C 36 28.835 -2.306 -17.244 1.00 48.27 C ATOM 2196 CG TRP C 36 29.964 -1.818 -18.092 1.00 50.58 C ATOM 2197 CD1 TRP C 36 29.959 -1.609 -19.452 1.00 54.75 C ATOM 2198 CD2 TRP C 36 31.277 -1.489 -17.647 1.00 55.14 C ATOM 2199 NE1 TRP C 36 31.203 -1.189 -19.875 1.00 58.51 N ATOM 2200 CE2 TRP C 36 32.029 -1.094 -18.783 1.00 59.69 C ATOM 2201 CE3 TRP C 36 31.914 -1.547 -16.405 1.00 58.14 C ATOM 2202 CZ2 TRP C 36 33.391 -0.733 -18.698 1.00 60.10 C ATOM 2203 CZ3 TRP C 36 33.290 -1.225 -16.314 1.00 58.18 C ATOM 2204 CH2 TRP C 36 34.006 -0.818 -17.459 1.00 59.17 C ATOM 2205 HE1 TRP C 36 31.470 -0.979 -20.858 1.00 0.00 H ATOM 2206 H TRP C 36 27.464 0.020 -17.341 1.00 0.00 H ATOM 2207 N LEU C 37 25.376 -1.906 -16.596 1.00 37.29 N ATOM 2208 CA LEU C 37 24.427 -2.374 -15.581 1.00 42.29 C ATOM 2209 C LEU C 37 23.514 -3.327 -16.347 1.00 42.97 C ATOM 2210 O LEU C 37 23.199 -3.054 -17.523 1.00 44.09 O ATOM 2211 CB LEU C 37 23.658 -1.180 -14.964 1.00 42.47 C ATOM 2212 CG LEU C 37 22.692 -1.217 -13.783 1.00 44.83 C ATOM 2213 CD1 LEU C 37 23.243 -2.127 -12.747 1.00 41.12 C ATOM 2214 CD2 LEU C 37 22.464 0.129 -13.100 1.00 45.12 C ATOM 2215 H LEU C 37 25.279 -0.956 -17.008 1.00 0.00 H ATOM 2216 N LEU C 38 23.037 -4.395 -15.691 1.00 39.60 N ATOM 2217 CA LEU C 38 22.093 -5.313 -16.315 1.00 45.96 C ATOM 2218 C LEU C 38 20.644 -5.229 -15.729 1.00 45.79 C ATOM 2219 O LEU C 38 20.424 -5.602 -14.589 1.00 42.80 O ATOM 2220 CB LEU C 38 22.605 -6.725 -16.141 1.00 46.46 C ATOM 2221 CG LEU C 38 23.935 -7.155 -16.765 1.00 47.89 C ATOM 2222 CD1 LEU C 38 24.377 -8.532 -16.229 1.00 49.57 C ATOM 2223 CD2 LEU C 38 23.900 -7.151 -18.285 1.00 48.06 C ATOM 2224 H LEU C 38 23.348 -4.572 -14.715 1.00 0.00 H ATOM 2225 N PRO C 39 19.700 -4.654 -16.498 1.00 47.03 N ATOM 2226 CA PRO C 39 18.320 -4.589 -16.009 1.00 51.64 C ATOM 2227 C PRO C 39 17.547 -5.914 -16.110 1.00 49.68 C ATOM 2228 O PRO C 39 17.820 -6.639 -17.036 1.00 51.43 O ATOM 2229 CB PRO C 39 17.675 -3.610 -16.982 1.00 53.52 C ATOM 2230 CG PRO C 39 18.445 -3.759 -18.270 1.00 50.99 C ATOM 2231 CD PRO C 39 19.856 -3.822 -17.713 1.00 50.14 C ATOM 2232 N MET C 40 16.686 -6.269 -15.148 1.00 51.74 N ATOM 2233 CA MET C 40 15.752 -7.392 -15.314 1.00 50.05 C ATOM 2234 C MET C 40 14.394 -6.751 -15.408 1.00 48.26 C ATOM 2235 O MET C 40 13.881 -6.158 -14.451 1.00 43.83 O ATOM 2236 CB MET C 40 15.789 -8.356 -14.142 1.00 54.56 C ATOM 2237 CG MET C 40 14.814 -9.494 -14.242 1.00 57.75 C ATOM 2238 SD MET C 40 14.920 -10.376 -12.691 1.00 65.06 S ATOM 2239 CE MET C 40 16.309 -11.450 -13.085 1.00 62.40 C ATOM 2240 H MET C 40 16.678 -5.734 -14.256 1.00 0.00 H ATOM 2241 N GLY C 41 13.751 -6.921 -16.562 1.00 45.51 N ATOM 2242 CA GLY C 41 12.507 -6.165 -16.885 1.00 46.26 C ATOM 2243 C GLY C 41 12.695 -4.646 -16.613 1.00 46.04 C ATOM 2244 O GLY C 41 13.613 -3.975 -17.150 1.00 46.21 O ATOM 2245 H GLY C 41 14.126 -7.599 -17.256 1.00 0.00 H ATOM 2246 N GLY C 42 11.866 -4.097 -15.729 1.00 45.60 N ATOM 2247 CA GLY C 42 11.948 -2.636 -15.380 1.00 47.25 C ATOM 2248 C GLY C 42 12.897 -2.305 -14.223 1.00 48.26 C ATOM 2249 O GLY C 42 13.111 -1.152 -13.905 1.00 53.77 O ATOM 2250 H GLY C 42 11.146 -4.690 -15.270 1.00 0.00 H ATOM 2251 N ASP C 43 13.497 -3.324 -13.605 1.00 48.93 N ATOM 2252 CA ASP C 43 14.324 -3.168 -12.417 1.00 48.91 C ATOM 2253 C ASP C 43 15.838 -3.185 -12.648 1.00 49.99 C ATOM 2254 O ASP C 43 16.429 -4.152 -13.076 1.00 54.96 O ATOM 2255 CB ASP C 43 13.978 -4.279 -11.421 1.00 48.07 C ATOM 2256 CG ASP C 43 12.525 -4.282 -11.015 1.00 50.64 C ATOM 2257 OD1 ASP C 43 11.901 -3.186 -10.984 1.00 52.47 O ATOM 2258 OD2 ASP C 43 12.005 -5.376 -10.719 1.00 52.37 O ATOM 2259 H ASP C 43 13.367 -4.280 -13.992 1.00 0.00 H ATOM 2260 N HIS C 44 16.462 -2.073 -12.305 1.00 45.19 N ATOM 2261 CA HIS C 44 17.916 -2.040 -12.275 1.00 49.89 C ATOM 2262 C HIS C 44 18.433 -2.707 -10.993 1.00 47.88 C ATOM 2263 O HIS C 44 19.513 -3.212 -10.970 1.00 53.19 O ATOM 2264 CB HIS C 44 18.458 -0.603 -12.418 1.00 48.32 C ATOM 2265 H HIS C 44 15.916 -1.223 -12.057 1.00 0.00 H ATOM 2266 N GLU C 45 17.620 -2.764 -9.944 1.00 49.08 N ATOM 2267 CA GLU C 45 18.027 -3.138 -8.569 1.00 52.37 C ATOM 2268 C GLU C 45 17.236 -4.410 -8.248 1.00 52.47 C ATOM 2269 O GLU C 45 16.036 -4.525 -8.586 1.00 51.27 O ATOM 2270 CB GLU C 45 17.566 -2.064 -7.544 1.00 56.69 C ATOM 2271 CG GLU C 45 17.927 -0.653 -7.938 1.00 61.70 C ATOM 2272 CD GLU C 45 18.053 0.341 -6.782 1.00 66.89 C ATOM 2273 OE1 GLU C 45 18.432 1.507 -7.070 1.00 68.64 O ATOM 2274 OE2 GLU C 45 17.714 0.021 -5.599 1.00 69.69 O ATOM 2275 H GLU C 45 16.619 -2.528 -10.100 1.00 0.00 H ATOM 2276 N HIS C 46 17.842 -5.318 -7.484 1.00 54.32 N ATOM 2277 CA HIS C 46 17.172 -6.495 -6.950 1.00 58.06 C ATOM 2278 C HIS C 46 17.340 -6.521 -5.458 1.00 58.89 C ATOM 2279 O HIS C 46 18.500 -6.514 -4.976 1.00 52.16 O ATOM 2280 CB HIS C 46 17.716 -7.745 -7.617 1.00 60.89 C ATOM 2281 CG HIS C 46 17.468 -7.750 -9.081 1.00 65.35 C ATOM 2282 ND1 HIS C 46 18.481 -7.503 -9.980 1.00 68.78 N ATOM 2283 CD2 HIS C 46 16.314 -7.796 -9.794 1.00 67.62 C ATOM 2284 CE1 HIS C 46 17.971 -7.490 -11.202 1.00 73.69 C ATOM 2285 NE2 HIS C 46 16.658 -7.659 -11.112 1.00 72.31 N ATOM 2286 H HIS C 46 18.847 -5.178 -7.257 1.00 0.00 H ATOM 2287 N VAL C 47 16.184 -6.623 -4.788 1.00 58.64 N ATOM 2288 CA VAL C 47 16.078 -6.713 -3.347 1.00 58.13 C ATOM 2289 C VAL C 47 16.209 -8.191 -2.946 1.00 55.86 C ATOM 2290 O VAL C 47 15.438 -9.032 -3.363 1.00 56.68 O ATOM 2291 CB VAL C 47 14.730 -6.166 -2.840 1.00 61.72 C ATOM 2292 CG1 VAL C 47 14.744 -6.099 -1.313 1.00 61.07 C ATOM 2293 CG2 VAL C 47 14.396 -4.787 -3.420 1.00 62.43 C ATOM 2294 H VAL C 47 15.303 -6.639 -5.341 1.00 0.00 H ATOM 2295 N VAL C 48 17.172 -8.449 -2.077 1.00 54.10 N ATOM 2296 CA VAL C 48 17.511 -9.794 -1.632 1.00 51.95 C ATOM 2297 C VAL C 48 17.766 -9.793 -0.132 1.00 51.65 C ATOM 2298 O VAL C 48 17.958 -8.718 0.445 1.00 48.32 O ATOM 2299 CB VAL C 48 18.744 -10.325 -2.364 1.00 52.26 C ATOM 2300 CG1 VAL C 48 18.452 -10.459 -3.856 1.00 50.19 C ATOM 2301 CG2 VAL C 48 19.941 -9.413 -2.169 1.00 50.72 C ATOM 2302 H VAL C 48 17.715 -7.650 -1.691 1.00 0.00 H ATOM 2303 N PHE C 49 17.776 -10.977 0.491 1.00 54.75 N ATOM 2304 CA PHE C 49 18.044 -11.103 1.909 1.00 57.58 C ATOM 2305 C PHE C 49 19.243 -12.082 2.085 1.00 57.24 C ATOM 2306 O PHE C 49 19.250 -13.124 1.465 1.00 57.61 O ATOM 2307 CB PHE C 49 16.812 -11.669 2.623 1.00 62.24 C ATOM 2308 CG PHE C 49 15.479 -10.984 2.322 1.00 64.63 C ATOM 2309 CD1 PHE C 49 14.891 -11.016 1.050 1.00 65.96 C ATOM 2310 CD2 PHE C 49 14.765 -10.372 3.360 1.00 69.08 C ATOM 2311 CE1 PHE C 49 13.676 -10.393 0.803 1.00 68.56 C ATOM 2312 CE2 PHE C 49 13.533 -9.751 3.123 1.00 71.91 C ATOM 2313 CZ PHE C 49 12.988 -9.756 1.831 1.00 71.26 C ATOM 2314 H PHE C 49 17.585 -11.837 -0.062 1.00 0.00 H ATOM 2315 N ASN C 50 20.184 -11.732 2.940 1.00 56.95 N ATOM 2316 CA ASN C 50 21.168 -12.710 3.391 1.00 56.30 C ATOM 2317 C ASN C 50 20.480 -13.796 4.241 1.00 57.21 C ATOM 2318 O ASN C 50 19.243 -13.758 4.424 1.00 55.60 O ATOM 2319 CB ASN C 50 22.326 -11.984 4.037 1.00 55.41 C ATOM 2320 CG ASN C 50 22.043 -11.495 5.456 1.00 55.90 C ATOM 2321 OD1 ASN C 50 20.946 -11.719 6.002 1.00 56.65 O ATOM 2322 ND2 ASN C 50 23.038 -10.884 6.076 1.00 55.99 N ATOM 2323 HD22 ASN C 50 23.937 -10.719 5.579 1.00 0.00 H ATOM 2324 HD21 ASN C 50 22.922 -10.569 7.060 1.00 0.00 H ATOM 2325 H ASN C 50 20.225 -10.755 3.294 1.00 0.00 H ATOM 2326 N PRO C 51 21.238 -14.813 4.702 1.00 61.55 N ATOM 2327 CA PRO C 51 20.560 -15.901 5.403 1.00 63.67 C ATOM 2328 C PRO C 51 19.886 -15.493 6.714 1.00 65.07 C ATOM 2329 O PRO C 51 18.972 -16.155 7.116 1.00 65.60 O ATOM 2330 CB PRO C 51 21.685 -16.904 5.652 1.00 65.52 C ATOM 2331 CG PRO C 51 22.741 -16.577 4.674 1.00 63.07 C ATOM 2332 CD PRO C 51 22.616 -15.157 4.317 1.00 62.14 C ATOM 2333 N ALA C 52 20.349 -14.408 7.334 1.00 66.62 N ATOM 2334 CA ALA C 52 19.738 -13.869 8.531 1.00 70.91 C ATOM 2335 C ALA C 52 18.520 -13.026 8.186 1.00 76.37 C ATOM 2336 O ALA C 52 17.879 -12.507 9.099 1.00 80.55 O ATOM 2337 CB ALA C 52 20.749 -13.031 9.300 1.00 68.37 C ATOM 2338 H ALA C 52 21.184 -13.928 6.942 1.00 0.00 H ATOM 2339 N GLY C 53 18.188 -12.886 6.899 1.00 75.10 N ATOM 2340 CA GLY C 53 17.056 -12.057 6.494 1.00 78.14 C ATOM 2341 C GLY C 53 17.280 -10.540 6.466 1.00 78.76 C ATOM 2342 O GLY C 53 16.331 -9.770 6.317 1.00 83.12 O ATOM 2343 H GLY C 53 18.747 -13.377 6.172 1.00 0.00 H ATOM 2344 N MET C 54 18.523 -10.099 6.584 1.00 78.82 N ATOM 2345 CA MET C 54 18.843 -8.670 6.387 1.00 82.41 C ATOM 2346 C MET C 54 18.733 -8.360 4.894 1.00 81.10 C ATOM 2347 O MET C 54 19.177 -9.134 4.049 1.00 76.11 O ATOM 2348 CB MET C 54 20.261 -8.345 6.871 1.00 84.00 C ATOM 2349 CG MET C 54 20.488 -6.946 7.456 1.00 91.52 C ATOM 2350 SD MET C 54 22.015 -6.753 8.451 1.00 97.43 S ATOM 2351 CE MET C 54 21.508 -7.072 10.153 1.00 95.55 C ATOM 2352 H MET C 54 19.284 -10.768 6.819 1.00 0.00 H ATOM 2353 N ILE C 55 18.162 -7.208 4.575 1.00 79.55 N ATOM 2354 CA ILE C 55 17.853 -6.825 3.203 1.00 79.77 C ATOM 2355 C ILE C 55 18.979 -6.036 2.524 1.00 73.25 C ATOM 2356 O ILE C 55 19.556 -5.177 3.119 1.00 75.34 O ATOM 2357 CB ILE C 55 16.524 -6.064 3.187 1.00 84.56 C ATOM 2358 CG1 ILE C 55 15.750 -6.253 1.887 1.00 87.56 C ATOM 2359 CG2 ILE C 55 16.671 -4.587 3.535 1.00 83.68 C ATOM 2360 CD1 ILE C 55 14.278 -5.971 2.121 1.00 88.16 C ATOM 2361 H ILE C 55 17.923 -6.545 5.340 1.00 0.00 H ATOM 2362 N PHE C 56 19.259 -6.363 1.276 1.00 68.87 N ATOM 2363 CA PHE C 56 20.213 -5.621 0.445 1.00 64.12 C ATOM 2364 C PHE C 56 19.554 -5.284 -0.894 1.00 60.60 C ATOM 2365 O PHE C 56 18.746 -6.041 -1.431 1.00 53.73 O ATOM 2366 CB PHE C 56 21.440 -6.456 0.105 1.00 65.71 C ATOM 2367 CG PHE C 56 22.291 -6.855 1.277 1.00 68.18 C ATOM 2368 CD1 PHE C 56 23.197 -5.956 1.847 1.00 69.28 C ATOM 2369 CD2 PHE C 56 22.330 -8.168 1.672 1.00 68.68 C ATOM 2370 CE1 PHE C 56 24.039 -6.345 2.882 1.00 74.09 C ATOM 2371 CE2 PHE C 56 23.183 -8.572 2.714 1.00 72.48 C ATOM 2372 CZ PHE C 56 24.031 -7.660 3.325 1.00 74.06 C ATOM 2373 H PHE C 56 18.779 -7.188 0.862 1.00 0.00 H ATOM 2374 N ARG C 57 19.985 -4.166 -1.458 1.00 59.66 N ATOM 2375 CA ARG C 57 19.648 -3.774 -2.796 1.00 57.65 C ATOM 2376 C ARG C 57 20.920 -4.006 -3.599 1.00 53.29 C ATOM 2377 O ARG C 57 21.933 -3.337 -3.377 1.00 52.39 O ATOM 2378 CB ARG C 57 19.203 -2.313 -2.827 1.00 60.18 C ATOM 2379 CG ARG C 57 18.115 -1.984 -1.809 1.00 65.28 C ATOM 2380 CD ARG C 57 17.497 -0.633 -2.117 1.00 66.76 C ATOM 2381 NE ARG C 57 16.611 -0.764 -3.253 1.00 70.71 N ATOM 2382 CZ ARG C 57 15.312 -1.096 -3.188 1.00 71.52 C ATOM 2383 NH1 ARG C 57 14.734 -1.375 -2.020 1.00 74.25 N ATOM 2384 NH2 ARG C 57 14.609 -1.191 -4.310 1.00 72.65 N ATOM 2385 HE ARG C 57 17.013 -0.587 -4.196 1.00 0.00 H ATOM 2386 HH12 ARG C 57 13.726 -1.631 -1.986 1.00 0.00 H ATOM 2387 HH11 ARG C 57 15.290 -1.337 -1.142 1.00 0.00 H ATOM 2388 HH22 ARG C 57 13.602 -1.447 -4.272 1.00 0.00 H ATOM 2389 HH21 ARG C 57 15.065 -1.009 -5.227 1.00 0.00 H ATOM 2390 H ARG C 57 20.600 -3.539 -0.901 1.00 0.00 H ATOM 2391 N VAL C 58 20.854 -5.004 -4.477 1.00 48.02 N ATOM 2392 CA VAL C 58 21.930 -5.443 -5.349 1.00 47.25 C ATOM 2393 C VAL C 58 21.758 -4.913 -6.764 1.00 46.66 C ATOM 2394 O VAL C 58 20.641 -4.998 -7.310 1.00 42.69 O ATOM 2395 CB VAL C 58 21.971 -6.987 -5.365 1.00 48.64 C ATOM 2396 CG1 VAL C 58 23.011 -7.515 -6.331 1.00 48.85 C ATOM 2397 CG2 VAL C 58 22.392 -7.447 -3.976 1.00 48.43 C ATOM 2398 H VAL C 58 19.951 -5.516 -4.545 1.00 0.00 H ATOM 2399 N TRP C 59 22.848 -4.395 -7.353 1.00 44.59 N ATOM 2400 CA TRP C 59 22.881 -4.080 -8.788 1.00 44.23 C ATOM 2401 C TRP C 59 23.784 -5.084 -9.496 1.00 42.51 C ATOM 2402 O TRP C 59 24.870 -5.374 -8.976 1.00 44.87 O ATOM 2403 CB TRP C 59 23.467 -2.696 -9.015 1.00 43.98 C ATOM 2404 CG TRP C 59 22.684 -1.478 -8.725 1.00 48.58 C ATOM 2405 CD1 TRP C 59 21.421 -1.138 -9.203 1.00 49.76 C ATOM 2406 CD2 TRP C 59 23.170 -0.301 -8.066 1.00 50.44 C ATOM 2407 NE1 TRP C 59 21.109 0.137 -8.841 1.00 52.54 N ATOM 2408 CE2 TRP C 59 22.152 0.678 -8.138 1.00 52.98 C ATOM 2409 CE3 TRP C 59 24.365 0.016 -7.408 1.00 52.78 C ATOM 2410 CZ2 TRP C 59 22.276 1.929 -7.540 1.00 56.43 C ATOM 2411 CZ3 TRP C 59 24.498 1.260 -6.817 1.00 53.24 C ATOM 2412 CH2 TRP C 59 23.454 2.204 -6.879 1.00 56.55 C ATOM 2413 HE1 TRP C 59 20.217 0.624 -9.064 1.00 0.00 H ATOM 2414 H TRP C 59 23.694 -4.211 -6.777 1.00 0.00 H ATOM 2415 N CYS C 60 23.343 -5.648 -10.628 1.00 40.03 N ATOM 2416 CA CYS C 60 24.179 -6.543 -11.421 1.00 38.14 C ATOM 2417 C CYS C 60 24.858 -5.792 -12.539 1.00 38.86 C ATOM 2418 O CYS C 60 24.205 -5.057 -13.234 1.00 38.76 O ATOM 2419 CB CYS C 60 23.345 -7.666 -11.998 1.00 42.65 C ATOM 2420 SG CYS C 60 22.563 -8.676 -10.662 1.00 45.77 S ATOM 2421 H CYS C 60 22.376 -5.442 -10.951 1.00 0.00 H ATOM 2422 N PHE C 61 26.143 -6.039 -12.735 1.00 36.18 N ATOM 2423 CA PHE C 61 26.948 -5.423 -13.799 1.00 36.53 C ATOM 2424 C PHE C 61 27.714 -6.444 -14.608 1.00 39.37 C ATOM 2425 O PHE C 61 28.210 -7.443 -14.041 1.00 40.68 O ATOM 2426 CB PHE C 61 28.014 -4.513 -13.213 1.00 34.78 C ATOM 2427 CG PHE C 61 27.485 -3.357 -12.456 1.00 33.83 C ATOM 2428 CD1 PHE C 61 27.187 -2.157 -13.122 1.00 34.74 C ATOM 2429 CD2 PHE C 61 27.377 -3.414 -11.086 1.00 34.63 C ATOM 2430 CE1 PHE C 61 26.760 -1.046 -12.419 1.00 35.90 C ATOM 2431 CE2 PHE C 61 26.918 -2.307 -10.361 1.00 35.96 C ATOM 2432 CZ PHE C 61 26.651 -1.095 -11.020 1.00 36.42 C ATOM 2433 H PHE C 61 26.613 -6.711 -12.096 1.00 0.00 H ATOM 2434 N SER C 62 27.789 -6.229 -15.916 1.00 38.31 N ATOM 2435 CA SER C 62 28.521 -7.181 -16.768 1.00 43.24 C ATOM 2436 C SER C 62 30.037 -7.160 -16.540 1.00 44.53 C ATOM 2437 O SER C 62 30.672 -8.209 -16.642 1.00 46.86 O ATOM 2438 CB SER C 62 28.239 -6.881 -18.240 1.00 45.59 C ATOM 2439 OG SER C 62 28.620 -5.546 -18.500 1.00 46.20 O ATOM 2440 HG SER C 62 28.097 -4.936 -17.922 1.00 0.00 H ATOM 2441 H SER C 62 27.334 -5.394 -16.336 1.00 0.00 H ATOM 2442 N LEU C 63 30.578 -5.982 -16.227 1.00 37.41 N ATOM 2443 CA LEU C 63 32.006 -5.769 -16.074 1.00 37.95 C ATOM 2444 C LEU C 63 32.250 -4.877 -14.886 1.00 36.57 C ATOM 2445 O LEU C 63 31.366 -4.092 -14.523 1.00 35.06 O ATOM 2446 CB LEU C 63 32.590 -5.086 -17.329 1.00 38.86 C ATOM 2447 CG LEU C 63 32.550 -5.834 -18.675 1.00 42.83 C ATOM 2448 CD1 LEU C 63 32.926 -4.905 -19.859 1.00 41.12 C ATOM 2449 CD2 LEU C 63 33.525 -7.028 -18.649 1.00 43.50 C ATOM 2450 H LEU C 63 29.942 -5.171 -16.085 1.00 0.00 H ATOM 2451 N ALA C 64 33.438 -5.015 -14.306 1.00 36.19 N ATOM 2452 CA ALA C 64 33.821 -4.076 -13.237 1.00 33.95 C ATOM 2453 C ALA C 64 35.321 -4.006 -13.226 1.00 36.58 C ATOM 2454 O ALA C 64 36.011 -4.854 -13.868 1.00 34.57 O ATOM 2455 CB ALA C 64 33.316 -4.620 -11.911 1.00 34.41 C ATOM 2456 H ALA C 64 34.086 -5.773 -14.602 1.00 0.00 H ATOM 2457 N GLN C 65 35.818 -3.053 -12.449 1.00 35.49 N ATOM 2458 CA GLN C 65 37.255 -2.856 -12.296 1.00 35.12 C ATOM 2459 C GLN C 65 37.502 -2.539 -10.853 1.00 33.06 C ATOM 2460 O GLN C 65 36.562 -2.219 -10.097 1.00 30.43 O ATOM 2461 CB GLN C 65 37.751 -1.692 -13.133 1.00 36.71 C ATOM 2462 CG GLN C 65 37.055 -0.376 -12.865 1.00 42.73 C ATOM 2463 CD GLN C 65 37.602 0.762 -13.731 1.00 48.14 C ATOM 2464 OE1 GLN C 65 38.676 1.276 -13.492 1.00 46.95 O ATOM 2465 NE2 GLN C 65 36.855 1.142 -14.731 1.00 58.30 N ATOM 2466 HE22 GLN C 65 35.941 0.677 -14.903 1.00 0.00 H ATOM 2467 HE21 GLN C 65 37.174 1.910 -15.356 1.00 0.00 H ATOM 2468 H GLN C 65 35.165 -2.429 -11.934 1.00 0.00 H ATOM 2469 N GLY C 66 38.781 -2.605 -10.477 1.00 33.67 N ATOM 2470 CA GLY C 66 39.143 -2.102 -9.187 1.00 32.21 C ATOM 2471 C GLY C 66 38.766 -2.984 -8.009 1.00 35.52 C ATOM 2472 O GLY C 66 38.918 -2.527 -6.879 1.00 30.74 O ATOM 2473 H GLY C 66 39.500 -3.013 -11.108 1.00 0.00 H ATOM 2474 N LEU C 67 38.326 -4.216 -8.253 1.00 31.80 N ATOM 2475 CA LEU C 67 38.007 -5.118 -7.171 1.00 32.38 C ATOM 2476 C LEU C 67 39.140 -6.102 -6.989 1.00 35.97 C ATOM 2477 O LEU C 67 40.061 -6.221 -7.841 1.00 36.55 O ATOM 2478 CB LEU C 67 36.724 -5.954 -7.511 1.00 33.46 C ATOM 2479 CG LEU C 67 35.473 -5.086 -7.714 1.00 32.25 C ATOM 2480 CD1 LEU C 67 34.480 -5.878 -8.593 1.00 34.03 C ATOM 2481 CD2 LEU C 67 34.913 -4.672 -6.354 1.00 31.31 C ATOM 2482 H LEU C 67 38.210 -4.534 -9.236 1.00 0.00 H ATOM 2483 N ARG C 68 39.045 -6.861 -5.899 1.00 36.29 N ATOM 2484 CA ARG C 68 39.886 -8.004 -5.672 1.00 43.74 C ATOM 2485 C ARG C 68 38.980 -9.156 -5.277 1.00 43.96 C ATOM 2486 O ARG C 68 38.195 -9.037 -4.333 1.00 41.22 O ATOM 2487 CB ARG C 68 40.872 -7.691 -4.565 1.00 48.02 C ATOM 2488 CG ARG C 68 41.745 -8.844 -4.163 1.00 53.46 C ATOM 2489 CD ARG C 68 43.007 -8.254 -3.474 1.00 58.29 C ATOM 2490 NE ARG C 68 42.690 -7.405 -2.295 1.00 58.68 N ATOM 2491 CZ ARG C 68 42.527 -7.837 -1.031 1.00 60.83 C ATOM 2492 NH1 ARG C 68 42.657 -9.121 -0.715 1.00 63.42 N ATOM 2493 NH2 ARG C 68 42.236 -6.970 -0.061 1.00 60.36 N ATOM 2494 HE ARG C 68 42.585 -6.384 -2.463 1.00 0.00 H ATOM 2495 HH12 ARG C 68 42.526 -9.430 0.269 1.00 0.00 H ATOM 2496 HH11 ARG C 68 42.890 -9.817 -1.452 1.00 0.00 H ATOM 2497 HH22 ARG C 68 42.110 -7.305 0.915 1.00 0.00 H ATOM 2498 HH21 ARG C 68 42.135 -5.959 -0.281 1.00 0.00 H ATOM 2499 H ARG C 68 38.332 -6.616 -5.182 1.00 0.00 H ATOM 2500 N LEU C 69 39.065 -10.239 -6.050 1.00 44.95 N ATOM 2501 CA LEU C 69 38.190 -11.396 -5.882 1.00 47.64 C ATOM 2502 C LEU C 69 38.901 -12.406 -5.001 1.00 49.36 C ATOM 2503 O LEU C 69 40.056 -12.772 -5.281 1.00 48.84 O ATOM 2504 CB LEU C 69 37.817 -12.012 -7.238 1.00 49.02 C ATOM 2505 CG LEU C 69 37.182 -11.025 -8.216 1.00 49.79 C ATOM 2506 CD1 LEU C 69 36.599 -11.784 -9.423 1.00 54.51 C ATOM 2507 CD2 LEU C 69 36.063 -10.248 -7.542 1.00 49.57 C ATOM 2508 H LEU C 69 39.783 -10.261 -6.802 1.00 0.00 H ATOM 2509 N ILE C 70 38.257 -12.834 -3.919 1.00 48.62 N ATOM 2510 CA ILE C 70 38.976 -13.680 -2.961 1.00 51.77 C ATOM 2511 C ILE C 70 38.360 -15.078 -2.920 1.00 53.02 C ATOM 2512 O ILE C 70 37.157 -15.218 -2.938 1.00 50.66 O ATOM 2513 CB ILE C 70 39.111 -13.039 -1.547 1.00 52.80 C ATOM 2514 CG1 ILE C 70 37.741 -12.817 -0.914 1.00 55.91 C ATOM 2515 CG2 ILE C 70 39.842 -11.683 -1.637 1.00 51.64 C ATOM 2516 CD1 ILE C 70 37.838 -12.329 0.533 1.00 57.89 C ATOM 2517 H ILE C 70 37.263 -12.574 -3.756 1.00 0.00 H ATOM 2518 N GLY C 71 39.201 -16.106 -2.825 1.00 57.23 N ATOM 2519 CA GLY C 71 38.752 -17.456 -2.487 1.00 59.48 C ATOM 2520 C GLY C 71 38.148 -18.234 -3.637 1.00 59.03 C ATOM 2521 O GLY C 71 38.146 -17.787 -4.787 1.00 57.93 O ATOM 2522 H GLY C 71 40.214 -15.943 -2.997 1.00 0.00 H ATOM 2523 N ALA C 72 37.624 -19.413 -3.317 1.00 62.40 N ATOM 2524 CA ALA C 72 37.042 -20.293 -4.328 1.00 63.34 C ATOM 2525 C ALA C 72 35.528 -20.064 -4.405 1.00 62.99 C ATOM 2526 O ALA C 72 34.923 -19.630 -3.416 1.00 61.66 O ATOM 2527 CB ALA C 72 37.343 -21.736 -3.989 1.00 66.50 C ATOM 2528 H ALA C 72 37.628 -19.717 -2.322 1.00 0.00 H ATOM 2529 N PRO C 73 34.926 -20.343 -5.563 1.00 64.84 N ATOM 2530 CA PRO C 73 33.484 -20.079 -5.699 1.00 63.73 C ATOM 2531 C PRO C 73 32.640 -20.930 -4.761 1.00 64.80 C ATOM 2532 O PRO C 73 33.022 -22.027 -4.419 1.00 65.03 O ATOM 2533 CB PRO C 73 33.190 -20.407 -7.164 1.00 64.05 C ATOM 2534 CG PRO C 73 34.516 -20.395 -7.852 1.00 64.54 C ATOM 2535 CD PRO C 73 35.521 -20.813 -6.824 1.00 65.89 C ATOM 2536 N SER C 74 31.502 -20.401 -4.357 1.00 62.46 N ATOM 2537 CA SER C 74 30.556 -21.129 -3.527 1.00 63.08 C ATOM 2538 C SER C 74 29.163 -20.957 -4.110 1.00 61.32 C ATOM 2539 O SER C 74 28.783 -19.875 -4.561 1.00 55.77 O ATOM 2540 CB SER C 74 30.598 -20.597 -2.101 1.00 62.54 C ATOM 2541 OG SER C 74 29.535 -21.065 -1.281 1.00 64.83 O ATOM 2542 HG SER C 74 29.626 -20.681 -0.373 1.00 0.00 H ATOM 2543 H SER C 74 31.273 -19.428 -4.642 1.00 0.00 H ATOM 2544 N GLY C 75 28.376 -22.024 -4.017 1.00 59.21 N ATOM 2545 CA GLY C 75 26.973 -21.978 -4.360 1.00 59.69 C ATOM 2546 C GLY C 75 26.033 -21.702 -3.188 1.00 59.27 C ATOM 2547 O GLY C 75 24.838 -21.535 -3.420 1.00 58.69 O ATOM 2548 H GLY C 75 28.783 -22.922 -3.686 1.00 0.00 H ATOM 2549 N GLU C 76 26.561 -21.612 -1.959 1.00 61.49 N ATOM 2550 CA GLU C 76 25.732 -21.454 -0.731 1.00 60.89 C ATOM 2551 C GLU C 76 24.887 -20.160 -0.780 1.00 57.47 C ATOM 2552 O GLU C 76 25.421 -19.086 -1.004 1.00 50.45 O ATOM 2553 CB GLU C 76 26.591 -21.448 0.573 1.00 62.37 C ATOM 2554 CG GLU C 76 26.081 -22.412 1.658 1.00 66.10 C ATOM 2555 CD GLU C 76 26.528 -22.111 3.134 1.00 68.50 C ATOM 2556 OE1 GLU C 76 27.403 -21.250 3.421 1.00 67.34 O ATOM 2557 OE2 GLU C 76 25.945 -22.702 4.069 1.00 70.74 O ATOM 2558 H GLU C 76 27.595 -21.654 -1.858 1.00 0.00 H ATOM 2559 N PHE C 77 23.571 -20.309 -0.636 1.00 56.99 N ATOM 2560 CA PHE C 77 22.613 -19.179 -0.595 1.00 55.42 C ATOM 2561 C PHE C 77 22.606 -18.274 -1.821 1.00 51.71 C ATOM 2562 O PHE C 77 22.255 -17.103 -1.692 1.00 48.21 O ATOM 2563 CB PHE C 77 22.870 -18.307 0.649 1.00 55.19 C ATOM 2564 CG PHE C 77 22.897 -19.081 1.903 1.00 58.54 C ATOM 2565 CD1 PHE C 77 21.716 -19.613 2.383 1.00 59.84 C ATOM 2566 CD2 PHE C 77 24.080 -19.295 2.594 1.00 58.26 C ATOM 2567 CE1 PHE C 77 21.714 -20.334 3.569 1.00 62.53 C ATOM 2568 CE2 PHE C 77 24.074 -20.006 3.767 1.00 61.78 C ATOM 2569 CZ PHE C 77 22.902 -20.543 4.244 1.00 63.46 C ATOM 2570 H PHE C 77 23.194 -21.274 -0.547 1.00 0.00 H ATOM 2571 N SER C 78 23.015 -18.772 -2.973 1.00 51.17 N ATOM 2572 CA SER C 78 23.128 -17.888 -4.138 1.00 50.03 C ATOM 2573 C SER C 78 21.779 -17.329 -4.472 1.00 50.61 C ATOM 2574 O SER C 78 20.823 -18.062 -4.588 1.00 50.61 O ATOM 2575 CB SER C 78 23.655 -18.604 -5.360 1.00 49.90 C ATOM 2576 OG SER C 78 23.848 -17.686 -6.428 1.00 46.41 O ATOM 2577 HG SER C 78 24.193 -18.170 -7.220 1.00 0.00 H ATOM 2578 H SER C 78 23.255 -19.781 -3.054 1.00 0.00 H ATOM 2579 N TRP C 79 21.732 -16.010 -4.626 1.00 50.85 N ATOM 2580 CA TRP C 79 20.509 -15.340 -5.036 1.00 50.07 C ATOM 2581 C TRP C 79 20.222 -15.537 -6.515 1.00 51.97 C ATOM 2582 O TRP C 79 19.175 -15.141 -6.983 1.00 51.28 O ATOM 2583 CB TRP C 79 20.616 -13.834 -4.761 1.00 47.76 C ATOM 2584 CG TRP C 79 20.740 -13.495 -3.317 1.00 48.63 C ATOM 2585 CD1 TRP C 79 19.957 -13.986 -2.328 1.00 48.65 C ATOM 2586 CD2 TRP C 79 21.631 -12.556 -2.719 1.00 45.93 C ATOM 2587 NE1 TRP C 79 20.331 -13.442 -1.140 1.00 49.96 N ATOM 2588 CE2 TRP C 79 21.342 -12.541 -1.340 1.00 46.98 C ATOM 2589 CE3 TRP C 79 22.626 -11.707 -3.222 1.00 45.03 C ATOM 2590 CZ2 TRP C 79 22.031 -11.735 -0.425 1.00 46.70 C ATOM 2591 CZ3 TRP C 79 23.339 -10.905 -2.306 1.00 46.14 C ATOM 2592 CH2 TRP C 79 23.020 -10.934 -0.907 1.00 46.51 C ATOM 2593 HE1 TRP C 79 19.912 -13.675 -0.217 1.00 0.00 H ATOM 2594 H TRP C 79 22.588 -15.446 -4.450 1.00 0.00 H ATOM 2595 N PHE C 80 21.132 -16.138 -7.272 1.00 53.60 N ATOM 2596 CA PHE C 80 20.931 -16.231 -8.738 1.00 51.80 C ATOM 2597 C PHE C 80 21.139 -17.695 -9.068 1.00 54.81 C ATOM 2598 O PHE C 80 22.258 -18.191 -8.965 1.00 49.89 O ATOM 2599 CB PHE C 80 21.925 -15.343 -9.469 1.00 50.65 C ATOM 2600 CG PHE C 80 21.817 -13.895 -9.097 1.00 49.53 C ATOM 2601 CD1 PHE C 80 20.840 -13.098 -9.700 1.00 49.47 C ATOM 2602 CD2 PHE C 80 22.656 -13.319 -8.158 1.00 48.98 C ATOM 2603 CE1 PHE C 80 20.697 -11.779 -9.355 1.00 46.60 C ATOM 2604 CE2 PHE C 80 22.550 -11.976 -7.841 1.00 47.67 C ATOM 2605 CZ PHE C 80 21.557 -11.212 -8.432 1.00 46.99 C ATOM 2606 H PHE C 80 21.985 -16.543 -6.837 1.00 0.00 H ATOM 2607 N LYS C 81 20.052 -18.384 -9.397 1.00 56.97 N ATOM 2608 CA LYS C 81 20.093 -19.847 -9.473 1.00 61.55 C ATOM 2609 C LYS C 81 21.035 -20.307 -10.564 1.00 60.00 C ATOM 2610 O LYS C 81 21.038 -19.746 -11.641 1.00 60.20 O ATOM 2611 CB LYS C 81 18.690 -20.426 -9.640 1.00 65.30 C ATOM 2612 CG LYS C 81 17.716 -20.117 -8.505 1.00 69.07 C ATOM 2613 CD LYS C 81 18.282 -20.312 -7.073 1.00 70.05 C ATOM 2614 CE LYS C 81 17.399 -19.579 -6.086 1.00 69.77 C ATOM 2615 NZ LYS C 81 17.324 -18.095 -6.359 1.00 68.31 N ATOM 2616 HZ1 LYS C 81 18.278 -17.684 -6.300 1.00 0.00 H ATOM 2617 HZ2 LYS C 81 16.936 -17.938 -7.311 1.00 0.00 H ATOM 2618 HZ3 LYS C 81 16.707 -17.645 -5.653 1.00 0.00 H ATOM 2619 H LYS C 81 19.165 -17.881 -9.602 1.00 0.00 H ATOM 2620 N GLY C 82 21.887 -21.286 -10.230 1.00 62.31 N ATOM 2621 CA GLY C 82 22.941 -21.763 -11.130 1.00 62.22 C ATOM 2622 C GLY C 82 24.226 -20.940 -11.215 1.00 61.38 C ATOM 2623 O GLY C 82 25.044 -21.176 -12.100 1.00 63.87 O ATOM 2624 H GLY C 82 21.796 -21.726 -9.292 1.00 0.00 H ATOM 2625 N TYR C 83 24.381 -19.964 -10.321 1.00 59.26 N ATOM 2626 CA TYR C 83 25.642 -19.249 -10.205 1.00 55.70 C ATOM 2627 C TYR C 83 26.280 -19.483 -8.864 1.00 53.52 C ATOM 2628 O TYR C 83 25.584 -19.511 -7.827 1.00 51.62 O ATOM 2629 CB TYR C 83 25.501 -17.744 -10.404 1.00 53.76 C ATOM 2630 CG TYR C 83 25.045 -17.342 -11.772 1.00 55.03 C ATOM 2631 CD1 TYR C 83 25.956 -17.212 -12.833 1.00 53.71 C ATOM 2632 CD2 TYR C 83 23.703 -17.045 -12.007 1.00 55.46 C ATOM 2633 CE1 TYR C 83 25.515 -16.813 -14.094 1.00 55.42 C ATOM 2634 CE2 TYR C 83 23.264 -16.652 -13.261 1.00 55.14 C ATOM 2635 CZ TYR C 83 24.161 -16.537 -14.288 1.00 55.34 C ATOM 2636 OH TYR C 83 23.700 -16.164 -15.522 1.00 62.34 O ATOM 2637 HH TYR C 83 24.458 -16.124 -16.158 1.00 0.00 H ATOM 2638 H TYR C 83 23.589 -19.710 -9.697 1.00 0.00 H ATOM 2639 N ASP C 84 27.612 -19.612 -8.930 1.00 51.07 N ATOM 2640 CA ASP C 84 28.444 -19.638 -7.758 1.00 51.39 C ATOM 2641 C ASP C 84 29.030 -18.215 -7.620 1.00 48.55 C ATOM 2642 O ASP C 84 29.271 -17.524 -8.622 1.00 46.27 O ATOM 2643 CB ASP C 84 29.569 -20.630 -7.928 1.00 53.40 C ATOM 2644 CG ASP C 84 29.187 -22.053 -7.526 1.00 61.10 C ATOM 2645 OD1 ASP C 84 27.972 -22.404 -7.485 1.00 61.00 O ATOM 2646 OD2 ASP C 84 30.169 -22.809 -7.249 1.00 63.69 O ATOM 2647 H ASP C 84 28.061 -19.697 -9.864 1.00 0.00 H ATOM 2648 N TRP C 85 29.296 -17.832 -6.374 1.00 46.03 N ATOM 2649 CA TRP C 85 29.849 -16.538 -6.055 1.00 45.02 C ATOM 2650 C TRP C 85 31.219 -16.593 -5.422 1.00 43.41 C ATOM 2651 O TRP C 85 31.576 -17.540 -4.752 1.00 46.95 O ATOM 2652 CB TRP C 85 28.894 -15.744 -5.164 1.00 44.08 C ATOM 2653 CG TRP C 85 28.499 -16.373 -3.911 1.00 44.70 C ATOM 2654 CD1 TRP C 85 27.339 -17.087 -3.711 1.00 48.02 C ATOM 2655 CD2 TRP C 85 29.218 -16.428 -2.664 1.00 44.90 C ATOM 2656 NE1 TRP C 85 27.269 -17.533 -2.426 1.00 47.57 N ATOM 2657 CE2 TRP C 85 28.401 -17.160 -1.757 1.00 47.07 C ATOM 2658 CE3 TRP C 85 30.459 -15.955 -2.227 1.00 46.86 C ATOM 2659 CZ2 TRP C 85 28.773 -17.402 -0.435 1.00 48.67 C ATOM 2660 CZ3 TRP C 85 30.840 -16.222 -0.899 1.00 47.32 C ATOM 2661 CH2 TRP C 85 30.003 -16.954 -0.027 1.00 47.82 C ATOM 2662 HE1 TRP C 85 26.479 -18.072 -2.018 1.00 0.00 H ATOM 2663 H TRP C 85 29.097 -18.494 -5.597 1.00 0.00 H ATOM 2664 N THR C 86 31.966 -15.513 -5.624 1.00 42.06 N ATOM 2665 CA THR C 86 33.221 -15.252 -4.930 1.00 43.23 C ATOM 2666 C THR C 86 33.126 -13.834 -4.387 1.00 41.37 C ATOM 2667 O THR C 86 32.531 -12.980 -5.025 1.00 37.98 O ATOM 2668 CB THR C 86 34.365 -15.316 -5.975 1.00 47.57 C ATOM 2669 OG1 THR C 86 34.355 -16.626 -6.607 1.00 54.16 O ATOM 2670 CG2 THR C 86 35.737 -15.006 -5.446 1.00 48.45 C ATOM 2671 HG1 THR C 86 35.083 -16.674 -7.276 1.00 0.00 H ATOM 2672 H THR C 86 31.636 -14.813 -6.318 1.00 0.00 H ATOM 2673 N ILE C 87 33.682 -13.608 -3.225 1.00 38.89 N ATOM 2674 CA ILE C 87 33.628 -12.297 -2.569 1.00 39.94 C ATOM 2675 C ILE C 87 34.442 -11.286 -3.389 1.00 37.16 C ATOM 2676 O ILE C 87 35.588 -11.589 -3.840 1.00 35.81 O ATOM 2677 CB ILE C 87 34.200 -12.389 -1.143 1.00 43.07 C ATOM 2678 CG1 ILE C 87 33.290 -13.218 -0.266 1.00 47.42 C ATOM 2679 CG2 ILE C 87 34.507 -11.012 -0.527 1.00 42.98 C ATOM 2680 CD1 ILE C 87 32.038 -12.509 0.217 1.00 49.63 C ATOM 2681 H ILE C 87 34.181 -14.386 -2.749 1.00 0.00 H ATOM 2682 N ALA C 88 33.825 -10.112 -3.607 1.00 35.73 N ATOM 2683 CA ALA C 88 34.518 -9.014 -4.284 1.00 34.66 C ATOM 2684 C ALA C 88 34.759 -7.860 -3.277 1.00 35.53 C ATOM 2685 O ALA C 88 33.786 -7.240 -2.750 1.00 37.07 O ATOM 2686 CB ALA C 88 33.714 -8.519 -5.474 1.00 33.61 C ATOM 2687 H ALA C 88 32.843 -9.982 -3.291 1.00 0.00 H ATOM 2688 N LEU C 89 36.034 -7.598 -3.010 1.00 33.08 N ATOM 2689 CA LEU C 89 36.409 -6.469 -2.185 1.00 32.86 C ATOM 2690 C LEU C 89 36.886 -5.311 -3.060 1.00 29.72 C ATOM 2691 O LEU C 89 37.414 -5.542 -4.175 1.00 32.16 O ATOM 2692 CB LEU C 89 37.589 -6.845 -1.296 1.00 33.98 C ATOM 2693 CG LEU C 89 37.412 -8.125 -0.440 1.00 36.91 C ATOM 2694 CD1 LEU C 89 38.605 -8.387 0.449 1.00 36.72 C ATOM 2695 CD2 LEU C 89 36.204 -8.005 0.449 1.00 36.58 C ATOM 2696 H LEU C 89 36.775 -8.214 -3.400 1.00 0.00 H ATOM 2697 N CYS C 90 36.748 -4.097 -2.528 1.00 28.63 N ATOM 2698 CA CYS C 90 37.442 -2.961 -3.113 1.00 27.98 C ATOM 2699 C CYS C 90 38.937 -3.218 -3.103 1.00 27.20 C ATOM 2700 O CYS C 90 39.525 -3.530 -2.066 1.00 28.43 O ATOM 2701 CB CYS C 90 37.158 -1.698 -2.294 1.00 28.85 C ATOM 2702 SG CYS C 90 37.931 -0.241 -2.964 1.00 28.92 S ATOM 2703 H CYS C 90 36.143 -3.962 -1.693 1.00 0.00 H ATOM 2704 N GLY C 91 39.584 -3.077 -4.267 1.00 27.23 N ATOM 2705 CA GLY C 91 41.013 -3.282 -4.375 1.00 27.77 C ATOM 2706 C GLY C 91 41.845 -2.219 -3.695 1.00 28.22 C ATOM 2707 O GLY C 91 43.059 -2.427 -3.378 1.00 29.94 O ATOM 2708 H GLY C 91 39.045 -2.813 -5.116 1.00 0.00 H ATOM 2709 N GLN C 92 41.228 -1.079 -3.425 1.00 25.40 N ATOM 2710 CA GLN C 92 41.956 0.052 -2.842 1.00 26.68 C ATOM 2711 C GLN C 92 41.907 0.029 -1.323 1.00 26.11 C ATOM 2712 O GLN C 92 42.943 0.123 -0.627 1.00 26.80 O ATOM 2713 CB GLN C 92 41.349 1.359 -3.378 1.00 26.15 C ATOM 2714 CG GLN C 92 42.062 2.636 -2.932 1.00 26.78 C ATOM 2715 CD GLN C 92 41.807 3.779 -3.886 1.00 25.26 C ATOM 2716 OE1 GLN C 92 42.596 4.008 -4.790 1.00 26.21 O ATOM 2717 NE2 GLN C 92 40.695 4.538 -3.666 1.00 24.39 N ATOM 2718 HE22 GLN C 92 40.052 4.304 -2.883 1.00 0.00 H ATOM 2719 HE21 GLN C 92 40.490 5.351 -4.281 1.00 0.00 H ATOM 2720 H GLN C 92 40.213 -0.985 -3.629 1.00 0.00 H ATOM 2721 N CYS C 93 40.713 -0.156 -0.788 1.00 29.34 N ATOM 2722 CA CYS C 93 40.537 -0.110 0.694 1.00 31.21 C ATOM 2723 C CYS C 93 40.113 -1.371 1.367 1.00 33.44 C ATOM 2724 O CYS C 93 40.140 -1.424 2.578 1.00 32.45 O ATOM 2725 CB CYS C 93 39.531 1.007 1.060 1.00 30.93 C ATOM 2726 SG CYS C 93 37.776 0.626 0.813 1.00 30.67 S ATOM 2727 H CYS C 93 39.893 -0.334 -1.402 1.00 0.00 H ATOM 2728 N GLY C 94 39.693 -2.383 0.616 1.00 31.42 N ATOM 2729 CA GLY C 94 39.304 -3.669 1.244 1.00 34.83 C ATOM 2730 C GLY C 94 37.818 -3.785 1.588 1.00 34.03 C ATOM 2731 O GLY C 94 37.371 -4.863 2.024 1.00 36.55 O ATOM 2732 H GLY C 94 39.637 -2.273 -0.417 1.00 0.00 H ATOM 2733 N SER C 95 37.017 -2.735 1.380 1.00 36.67 N ATOM 2734 CA SER C 95 35.585 -2.808 1.708 1.00 35.08 C ATOM 2735 C SER C 95 34.905 -3.918 0.892 1.00 36.75 C ATOM 2736 O SER C 95 35.194 -4.119 -0.277 1.00 35.21 O ATOM 2737 CB SER C 95 34.917 -1.471 1.417 1.00 37.37 C ATOM 2738 OG SER C 95 33.508 -1.513 1.608 1.00 36.86 O ATOM 2739 HG SER C 95 33.122 -0.624 1.407 1.00 0.00 H ATOM 2740 H SER C 95 37.410 -1.858 0.982 1.00 0.00 H ATOM 2741 N HIS C 96 34.039 -4.698 1.525 1.00 38.96 N ATOM 2742 CA HIS C 96 33.327 -5.768 0.816 1.00 38.11 C ATOM 2743 C HIS C 96 32.209 -5.154 0.008 1.00 35.37 C ATOM 2744 O HIS C 96 31.252 -4.659 0.576 1.00 33.99 O ATOM 2745 CB HIS C 96 32.771 -6.792 1.819 1.00 44.09 C ATOM 2746 CG HIS C 96 31.879 -7.812 1.171 1.00 49.29 C ATOM 2747 ND1 HIS C 96 30.839 -8.447 1.831 1.00 54.08 N ATOM 2748 CD2 HIS C 96 31.867 -8.291 -0.106 1.00 51.23 C ATOM 2749 CE1 HIS C 96 30.204 -9.235 0.976 1.00 54.41 C ATOM 2750 NE2 HIS C 96 30.836 -9.189 -0.192 1.00 53.55 N ATOM 2751 H HIS C 96 33.862 -4.549 2.539 1.00 0.00 H ATOM 2752 N LEU C 97 32.329 -5.144 -1.329 1.00 32.15 N ATOM 2753 CA LEU C 97 31.348 -4.422 -2.159 1.00 33.32 C ATOM 2754 C LEU C 97 30.287 -5.323 -2.792 1.00 34.24 C ATOM 2755 O LEU C 97 29.259 -4.806 -3.323 1.00 35.42 O ATOM 2756 CB LEU C 97 32.067 -3.629 -3.271 1.00 33.01 C ATOM 2757 CG LEU C 97 33.100 -2.564 -2.801 1.00 33.90 C ATOM 2758 CD1 LEU C 97 33.622 -1.830 -4.008 1.00 35.24 C ATOM 2759 CD2 LEU C 97 32.409 -1.572 -1.810 1.00 33.76 C ATOM 2760 H LEU C 97 33.118 -5.648 -1.781 1.00 0.00 H ATOM 2761 N GLY C 98 30.578 -6.616 -2.853 1.00 34.23 N ATOM 2762 CA GLY C 98 29.586 -7.577 -3.361 1.00 37.55 C ATOM 2763 C GLY C 98 30.249 -8.883 -3.767 1.00 38.01 C ATOM 2764 O GLY C 98 31.130 -9.410 -3.040 1.00 36.32 O ATOM 2765 H GLY C 98 31.511 -6.952 -2.540 1.00 0.00 H ATOM 2766 N TRP C 99 29.816 -9.437 -4.900 1.00 37.69 N ATOM 2767 CA TRP C 99 30.268 -10.769 -5.317 1.00 38.26 C ATOM 2768 C TRP C 99 30.472 -10.810 -6.809 1.00 39.94 C ATOM 2769 O TRP C 99 29.849 -10.047 -7.561 1.00 41.14 O ATOM 2770 CB TRP C 99 29.199 -11.800 -4.911 1.00 38.92 C ATOM 2771 CG TRP C 99 28.958 -11.850 -3.428 1.00 38.66 C ATOM 2772 CD1 TRP C 99 29.612 -12.629 -2.502 1.00 40.31 C ATOM 2773 CD2 TRP C 99 28.069 -11.015 -2.685 1.00 36.78 C ATOM 2774 NE1 TRP C 99 29.171 -12.330 -1.248 1.00 40.19 N ATOM 2775 CE2 TRP C 99 28.197 -11.368 -1.335 1.00 38.03 C ATOM 2776 CE3 TRP C 99 27.155 -10.020 -3.040 1.00 36.43 C ATOM 2777 CZ2 TRP C 99 27.451 -10.750 -0.320 1.00 38.40 C ATOM 2778 CZ3 TRP C 99 26.409 -9.395 -2.018 1.00 36.26 C ATOM 2779 CH2 TRP C 99 26.548 -9.791 -0.693 1.00 38.59 C ATOM 2780 HE1 TRP C 99 29.517 -12.761 -0.367 1.00 0.00 H ATOM 2781 H TRP C 99 29.145 -8.915 -5.499 1.00 0.00 H ATOM 2782 N HIS C 100 31.346 -11.711 -7.246 1.00 39.15 N ATOM 2783 CA HIS C 100 31.449 -12.049 -8.653 1.00 42.55 C ATOM 2784 C HIS C 100 30.769 -13.420 -8.814 1.00 44.14 C ATOM 2785 O HIS C 100 31.019 -14.310 -8.023 1.00 40.57 O ATOM 2786 CB HIS C 100 32.916 -12.095 -9.085 1.00 46.99 C ATOM 2787 CG HIS C 100 33.115 -12.427 -10.529 1.00 50.66 C ATOM 2788 ND1 HIS C 100 32.920 -11.526 -11.551 1.00 49.76 N ATOM 2789 CD2 HIS C 100 33.539 -13.574 -11.105 1.00 52.49 C ATOM 2790 CE1 HIS C 100 33.212 -12.109 -12.704 1.00 51.41 C ATOM 2791 NE2 HIS C 100 33.552 -13.365 -12.464 1.00 55.10 N ATOM 2792 H HIS C 100 31.971 -12.185 -6.563 1.00 0.00 H ATOM 2793 N TYR C 101 29.960 -13.534 -9.836 1.00 41.31 N ATOM 2794 CA TYR C 101 29.137 -14.716 -10.082 1.00 45.06 C ATOM 2795 C TYR C 101 29.632 -15.401 -11.350 1.00 51.44 C ATOM 2796 O TYR C 101 29.975 -14.733 -12.354 1.00 48.27 O ATOM 2797 CB TYR C 101 27.658 -14.375 -10.245 1.00 43.45 C ATOM 2798 CG TYR C 101 27.048 -13.991 -8.932 1.00 41.69 C ATOM 2799 CD1 TYR C 101 27.103 -12.691 -8.483 1.00 38.63 C ATOM 2800 CD2 TYR C 101 26.430 -14.947 -8.114 1.00 40.22 C ATOM 2801 CE1 TYR C 101 26.526 -12.339 -7.263 1.00 37.72 C ATOM 2802 CE2 TYR C 101 25.871 -14.613 -6.888 1.00 38.03 C ATOM 2803 CZ TYR C 101 25.876 -13.304 -6.486 1.00 37.84 C ATOM 2804 OH TYR C 101 25.358 -12.893 -5.264 1.00 34.34 O ATOM 2805 HH TYR C 101 25.846 -13.346 -4.531 1.00 0.00 H ATOM 2806 H TYR C 101 29.900 -12.742 -10.508 1.00 0.00 H ATOM 2807 N GLU C 102 29.675 -16.732 -11.292 1.00 54.64 N ATOM 2808 CA GLU C 102 30.115 -17.480 -12.442 1.00 63.22 C ATOM 2809 C GLU C 102 29.386 -18.831 -12.490 1.00 66.65 C ATOM 2810 O GLU C 102 28.708 -19.266 -11.539 1.00 58.71 O ATOM 2811 CB GLU C 102 31.596 -17.792 -12.373 1.00 69.32 C ATOM 2812 CG GLU C 102 32.635 -16.711 -12.222 1.00 73.53 C ATOM 2813 CD GLU C 102 34.011 -17.353 -12.407 1.00 79.73 C ATOM 2814 OE1 GLU C 102 34.430 -17.553 -13.578 1.00 83.34 O ATOM 2815 OE2 GLU C 102 34.647 -17.726 -11.386 1.00 84.50 O ATOM 2816 H GLU C 102 29.393 -17.227 -10.422 1.00 0.00 H ATOM 2817 N GLY C 103 29.604 -19.529 -13.598 1.00 73.99 N ATOM 2818 CA GLY C 103 29.207 -20.924 -13.710 1.00 82.33 C ATOM 2819 C GLY C 103 27.837 -21.078 -14.332 1.00 88.82 C ATOM 2820 O GLY C 103 27.339 -22.219 -14.489 1.00 91.48 O ATOM 2821 H GLY C 103 30.070 -19.067 -14.405 1.00 0.00 H ATOM 2822 N GLY C 104 27.208 -19.964 -14.719 1.00 89.44 N ATOM 2823 CA GLY C 104 25.901 -20.024 -15.356 1.00 95.12 C ATOM 2824 C GLY C 104 25.999 -19.864 -16.862 1.00100.70 C ATOM 2825 O GLY C 104 27.048 -20.118 -17.452 1.00107.43 O ATOM 2826 H GLY C 104 27.660 -19.040 -14.563 1.00 0.00 H ATOM 2827 N SER C 105 24.900 -19.413 -17.469 1.00101.80 N ATOM 2828 CA SER C 105 24.778 -19.185 -18.913 1.00 99.82 C ATOM 2829 C SER C 105 23.993 -17.890 -19.154 1.00 96.07 C ATOM 2830 O SER C 105 23.023 -17.614 -18.450 1.00102.60 O ATOM 2831 CB SER C 105 24.005 -20.349 -19.568 1.00104.05 C ATOM 2832 OG SER C 105 24.423 -21.627 -19.110 1.00105.86 O ATOM 2833 HG SER C 105 23.893 -22.329 -19.564 1.00 0.00 H ATOM 2834 H SER C 105 24.070 -19.208 -16.876 1.00 0.00 H ATOM 2835 N GLN C 106 24.431 -17.069 -20.108 1.00 92.07 N ATOM 2836 CA GLN C 106 23.657 -15.906 -20.573 1.00 91.32 C ATOM 2837 C GLN C 106 23.186 -14.991 -19.422 1.00 91.57 C ATOM 2838 O GLN C 106 21.984 -14.856 -19.202 1.00 93.65 O ATOM 2839 CB GLN C 106 22.467 -16.372 -21.431 1.00 91.37 C ATOM 2840 H GLN C 106 25.357 -17.257 -20.542 1.00 0.00 H ATOM 2841 N PRO C 107 24.105 -14.365 -18.690 1.00 87.87 N ATOM 2842 CA PRO C 107 25.536 -14.364 -18.971 1.00 82.30 C ATOM 2843 C PRO C 107 26.263 -15.434 -18.163 1.00 78.21 C ATOM 2844 O PRO C 107 25.738 -15.932 -17.148 1.00 73.58 O ATOM 2845 CB PRO C 107 25.948 -12.980 -18.505 1.00 83.13 C ATOM 2846 CG PRO C 107 25.061 -12.723 -17.335 1.00 82.67 C ATOM 2847 CD PRO C 107 23.738 -13.343 -17.694 1.00 85.23 C ATOM 2848 N GLN C 108 27.457 -15.796 -18.593 1.00 70.02 N ATOM 2849 CA GLN C 108 28.177 -16.837 -17.872 1.00 71.82 C ATOM 2850 C GLN C 108 28.685 -16.310 -16.531 1.00 66.57 C ATOM 2851 O GLN C 108 28.704 -17.050 -15.530 1.00 61.90 O ATOM 2852 CB GLN C 108 29.317 -17.391 -18.716 1.00 75.38 C ATOM 2853 CG GLN C 108 28.790 -18.269 -19.856 1.00 79.03 C ATOM 2854 CD GLN C 108 29.821 -18.414 -20.959 1.00 81.64 C ATOM 2855 OE1 GLN C 108 30.927 -18.856 -20.678 1.00 82.85 O ATOM 2856 NE2 GLN C 108 29.488 -17.991 -22.193 1.00 80.25 N ATOM 2857 HE22 GLN C 108 28.532 -17.624 -22.377 1.00 0.00 H ATOM 2858 HE21 GLN C 108 30.186 -18.031 -22.963 1.00 0.00 H ATOM 2859 H GLN C 108 27.876 -15.346 -19.432 1.00 0.00 H ATOM 2860 N THR C 109 29.082 -15.035 -16.532 1.00 59.81 N ATOM 2861 CA THR C 109 29.607 -14.336 -15.384 1.00 60.65 C ATOM 2862 C THR C 109 29.028 -12.906 -15.301 1.00 58.01 C ATOM 2863 O THR C 109 28.609 -12.293 -16.297 1.00 56.91 O ATOM 2864 CB THR C 109 31.133 -14.167 -15.449 1.00 61.10 C ATOM 2865 OG1 THR C 109 31.458 -13.298 -16.551 1.00 61.35 O ATOM 2866 CG2 THR C 109 31.813 -15.539 -15.596 1.00 63.96 C ATOM 2867 HG1 THR C 109 31.028 -12.417 -16.413 1.00 0.00 H ATOM 2868 H THR C 109 29.007 -14.507 -17.425 1.00 0.00 H ATOM 2869 N PHE C 110 28.999 -12.394 -14.071 1.00 50.63 N ATOM 2870 CA PHE C 110 28.623 -11.015 -13.810 1.00 45.23 C ATOM 2871 C PHE C 110 29.057 -10.671 -12.397 1.00 41.48 C ATOM 2872 O PHE C 110 29.540 -11.523 -11.643 1.00 39.38 O ATOM 2873 CB PHE C 110 27.105 -10.749 -13.992 1.00 44.48 C ATOM 2874 CG PHE C 110 26.219 -11.468 -13.002 1.00 46.84 C ATOM 2875 CD1 PHE C 110 25.831 -12.787 -13.229 1.00 49.94 C ATOM 2876 CD2 PHE C 110 25.718 -10.823 -11.893 1.00 45.46 C ATOM 2877 CE1 PHE C 110 24.975 -13.466 -12.341 1.00 50.50 C ATOM 2878 CE2 PHE C 110 24.850 -11.488 -11.005 1.00 46.62 C ATOM 2879 CZ PHE C 110 24.484 -12.806 -11.225 1.00 47.91 C ATOM 2880 H PHE C 110 29.255 -13.004 -13.268 1.00 0.00 H ATOM 2881 N PHE C 111 28.880 -9.416 -12.065 1.00 36.96 N ATOM 2882 CA PHE C 111 29.165 -8.887 -10.722 1.00 38.71 C ATOM 2883 C PHE C 111 27.877 -8.422 -10.086 1.00 39.45 C ATOM 2884 O PHE C 111 27.100 -7.750 -10.744 1.00 42.16 O ATOM 2885 CB PHE C 111 30.135 -7.687 -10.758 1.00 36.50 C ATOM 2886 CG PHE C 111 31.482 -7.995 -11.334 1.00 38.20 C ATOM 2887 CD1 PHE C 111 31.712 -7.990 -12.728 1.00 38.12 C ATOM 2888 CD2 PHE C 111 32.536 -8.293 -10.473 1.00 39.11 C ATOM 2889 CE1 PHE C 111 32.980 -8.318 -13.220 1.00 39.76 C ATOM 2890 CE2 PHE C 111 33.824 -8.576 -10.958 1.00 39.97 C ATOM 2891 CZ PHE C 111 34.039 -8.593 -12.332 1.00 41.91 C ATOM 2892 H PHE C 111 28.520 -8.760 -12.787 1.00 0.00 H ATOM 2893 N GLY C 112 27.630 -8.822 -8.838 1.00 38.03 N ATOM 2894 CA GLY C 112 26.448 -8.409 -8.083 1.00 35.62 C ATOM 2895 C GLY C 112 26.952 -7.561 -6.919 1.00 37.98 C ATOM 2896 O GLY C 112 27.613 -8.058 -5.988 1.00 37.11 O ATOM 2897 H GLY C 112 28.312 -9.459 -8.379 1.00 0.00 H ATOM 2898 N LEU C 113 26.722 -6.261 -7.000 1.00 39.90 N ATOM 2899 CA LEU C 113 27.326 -5.314 -6.038 1.00 38.78 C ATOM 2900 C LEU C 113 26.244 -4.689 -5.167 1.00 37.71 C ATOM 2901 O LEU C 113 25.140 -4.365 -5.642 1.00 38.27 O ATOM 2902 CB LEU C 113 28.096 -4.236 -6.771 1.00 39.13 C ATOM 2903 CG LEU C 113 29.235 -4.707 -7.717 1.00 40.33 C ATOM 2904 CD1 LEU C 113 29.965 -3.575 -8.384 1.00 40.97 C ATOM 2905 CD2 LEU C 113 30.229 -5.561 -6.955 1.00 41.18 C ATOM 2906 H LEU C 113 26.105 -5.898 -7.754 1.00 0.00 H ATOM 2907 N ILE C 114 26.597 -4.439 -3.917 1.00 37.60 N ATOM 2908 CA ILE C 114 25.625 -3.967 -2.924 1.00 40.35 C ATOM 2909 C ILE C 114 25.425 -2.466 -3.058 1.00 44.76 C ATOM 2910 O ILE C 114 26.346 -1.688 -2.823 1.00 42.56 O ATOM 2911 CB ILE C 114 26.149 -4.296 -1.503 1.00 41.49 C ATOM 2912 CG1 ILE C 114 26.464 -5.759 -1.343 1.00 40.69 C ATOM 2913 CG2 ILE C 114 25.141 -3.855 -0.424 1.00 42.80 C ATOM 2914 CD1 ILE C 114 27.323 -6.035 -0.135 1.00 41.73 C ATOM 2915 H ILE C 114 27.587 -4.580 -3.631 1.00 0.00 H ATOM 2916 N LYS C 115 24.223 -2.054 -3.441 1.00 47.88 N ATOM 2917 CA LYS C 115 23.868 -0.626 -3.537 1.00 50.13 C ATOM 2918 C LYS C 115 24.327 0.270 -2.411 1.00 48.33 C ATOM 2919 O LYS C 115 24.892 1.321 -2.710 1.00 49.03 O ATOM 2920 CB LYS C 115 22.352 -0.439 -3.713 1.00 57.68 C ATOM 2921 CG LYS C 115 21.890 1.023 -3.927 1.00 63.36 C ATOM 2922 CD LYS C 115 21.054 1.601 -2.776 1.00 71.87 C ATOM 2923 CE LYS C 115 21.234 3.120 -2.553 1.00 76.37 C ATOM 2924 NZ LYS C 115 20.558 3.590 -1.298 1.00 78.68 N ATOM 2925 HZ1 LYS C 115 19.539 3.389 -1.358 1.00 0.00 H ATOM 2926 HZ2 LYS C 115 20.963 3.092 -0.480 1.00 0.00 H ATOM 2927 HZ3 LYS C 115 20.705 4.614 -1.189 1.00 0.00 H ATOM 2928 H LYS C 115 23.504 -2.765 -3.683 1.00 0.00 H ATOM 2929 N ASP C 116 24.122 -0.121 -1.147 1.00 48.60 N ATOM 2930 CA ASP C 116 24.516 0.800 -0.051 1.00 54.51 C ATOM 2931 C ASP C 116 26.027 0.872 0.223 1.00 50.51 C ATOM 2932 O ASP C 116 26.452 1.674 1.043 1.00 53.48 O ATOM 2933 CB ASP C 116 23.707 0.609 1.243 1.00 60.73 C ATOM 2934 CG ASP C 116 24.047 -0.644 1.970 1.00 64.58 C ATOM 2935 OD1 ASP C 116 24.930 -1.385 1.544 1.00 72.20 O ATOM 2936 OD2 ASP C 116 23.502 -0.862 3.054 1.00 74.89 O ATOM 2937 H ASP C 116 23.697 -1.047 -0.938 1.00 0.00 H ATOM 2938 N ARG C 117 26.810 0.056 -0.488 1.00 43.54 N ATOM 2939 CA ARG C 117 28.261 0.140 -0.405 1.00 42.21 C ATOM 2940 C ARG C 117 28.894 0.951 -1.525 1.00 40.40 C ATOM 2941 O ARG C 117 30.094 1.055 -1.542 1.00 36.82 O ATOM 2942 CB ARG C 117 28.806 -1.288 -0.403 1.00 45.23 C ATOM 2943 CG ARG C 117 28.222 -2.034 0.794 1.00 46.91 C ATOM 2944 CD ARG C 117 29.247 -2.496 1.831 1.00 51.17 C ATOM 2945 NE ARG C 117 28.529 -3.062 2.984 1.00 51.81 N ATOM 2946 CZ ARG C 117 28.777 -4.229 3.574 1.00 50.31 C ATOM 2947 NH1 ARG C 117 29.759 -4.991 3.148 1.00 46.99 N ATOM 2948 NH2 ARG C 117 28.017 -4.617 4.592 1.00 53.48 N ATOM 2949 HE ARG C 117 27.751 -2.494 3.377 1.00 0.00 H ATOM 2950 HH12 ARG C 117 29.949 -5.902 3.612 1.00 0.00 H ATOM 2951 HH11 ARG C 117 30.346 -4.683 2.347 1.00 0.00 H ATOM 2952 HH22 ARG C 117 28.201 -5.527 5.061 1.00 0.00 H ATOM 2953 HH21 ARG C 117 27.238 -4.011 4.920 1.00 0.00 H ATOM 2954 H ARG C 117 26.375 -0.653 -1.113 1.00 0.00 H ATOM 2955 N LEU C 118 28.085 1.518 -2.404 1.00 38.25 N ATOM 2956 CA LEU C 118 28.514 2.252 -3.552 1.00 39.07 C ATOM 2957 C LEU C 118 28.064 3.701 -3.446 1.00 40.80 C ATOM 2958 O LEU C 118 27.133 4.010 -2.771 1.00 43.69 O ATOM 2959 CB LEU C 118 27.934 1.639 -4.822 1.00 38.48 C ATOM 2960 CG LEU C 118 28.469 0.255 -5.134 1.00 38.50 C ATOM 2961 CD1 LEU C 118 27.766 -0.214 -6.402 1.00 39.78 C ATOM 2962 CD2 LEU C 118 29.975 0.211 -5.325 1.00 40.00 C ATOM 2963 H LEU C 118 27.061 1.423 -2.248 1.00 0.00 H ATOM 2964 N ALA C 119 28.769 4.565 -4.148 1.00 37.25 N ATOM 2965 CA ALA C 119 28.357 5.911 -4.387 1.00 35.35 C ATOM 2966 C ALA C 119 28.196 6.054 -5.921 1.00 35.94 C ATOM 2967 O ALA C 119 29.041 5.608 -6.697 1.00 32.46 O ATOM 2968 CB ALA C 119 29.447 6.854 -3.935 1.00 34.86 C ATOM 2969 H ALA C 119 29.675 4.249 -4.550 1.00 0.00 H ATOM 2970 N GLU C 120 27.171 6.772 -6.331 1.00 34.33 N ATOM 2971 CA GLU C 120 26.888 6.978 -7.745 1.00 36.54 C ATOM 2972 C GLU C 120 27.139 8.431 -8.025 1.00 37.11 C ATOM 2973 O GLU C 120 26.773 9.310 -7.221 1.00 33.72 O ATOM 2974 CB GLU C 120 25.436 6.624 -8.110 1.00 40.30 C ATOM 2975 CG GLU C 120 24.439 7.160 -7.092 1.00 47.30 C ATOM 2976 CD GLU C 120 22.988 6.714 -7.338 1.00 54.15 C ATOM 2977 OE1 GLU C 120 22.784 5.637 -8.029 1.00 49.66 O ATOM 2978 OE2 GLU C 120 22.062 7.469 -6.828 1.00 54.99 O ATOM 2979 H GLU C 120 26.544 7.205 -5.623 1.00 0.00 H ATOM 2980 N GLY C 121 27.697 8.719 -9.209 1.00 35.06 N ATOM 2981 CA GLY C 121 27.971 10.092 -9.626 1.00 36.14 C ATOM 2982 C GLY C 121 28.149 10.194 -11.135 1.00 37.36 C ATOM 2983 O GLY C 121 28.029 9.224 -11.860 1.00 33.31 O ATOM 2984 H GLY C 121 27.943 7.939 -9.852 1.00 0.00 H ATOM 2985 N PRO C 122 28.394 11.392 -11.616 1.00 41.03 N ATOM 2986 CA PRO C 122 28.437 11.623 -13.048 1.00 42.50 C ATOM 2987 C PRO C 122 29.700 11.088 -13.665 1.00 47.02 C ATOM 2988 O PRO C 122 30.709 10.960 -12.982 1.00 46.30 O ATOM 2989 CB PRO C 122 28.380 13.140 -13.168 1.00 44.23 C ATOM 2990 CG PRO C 122 28.982 13.635 -11.863 1.00 44.00 C ATOM 2991 CD PRO C 122 28.626 12.612 -10.822 1.00 41.31 C ATOM 2992 N ALA C 123 29.648 10.877 -14.984 1.00 51.40 N ATOM 2993 CA ALA C 123 30.839 10.498 -15.773 1.00 50.55 C ATOM 2994 C ALA C 123 31.821 11.667 -15.819 1.00 50.03 C ATOM 2995 O ALA C 123 33.047 11.462 -15.792 1.00 51.40 O ATOM 2996 CB ALA C 123 30.418 10.049 -17.192 1.00 48.13 C ATOM 2997 H ALA C 123 28.736 10.983 -15.473 1.00 0.00 H TER 2998 ALA C 123 HETATM 2999 ZN ZN A 1 24.144 27.271 10.162 1.00 21.65 ZN HETATM 3000 ZN ZN A 2 43.693 10.641 30.140 1.00 35.48 ZN HETATM 3001 ZN ZN A 3 37.226 1.240 -1.301 1.00 28.86 ZN HETATM 3002 O HOH 4 16.649 21.551 20.472 1.00 32.62 O HETATM 3003 O HOH 5 12.028 10.325 26.808 1.00 40.40 O HETATM 3004 O HOH 6 17.206 22.784 25.525 1.00 33.83 O HETATM 3005 O HOH 7 13.959 24.554 -4.981 1.00 44.91 O HETATM 3006 O HOH 8 14.864 22.769 -6.753 1.00 42.04 O HETATM 3007 O HOH 9 31.994 16.184 8.151 1.00 41.96 O HETATM 3008 O HOH 10 8.325 15.835 0.132 1.00 40.58 O HETATM 3009 O HOH 11 19.052 22.008 22.837 1.00 31.78 O HETATM 3010 O HOH 12 33.971 15.974 -13.347 1.00 56.74 O HETATM 3011 O HOH 13 16.261 13.103 -14.314 1.00 59.73 O HETATM 3012 O HOH 14 27.796 29.624 1.767 1.00 46.99 O HETATM 3013 O HOH 15 31.883 24.109 14.002 1.00 51.00 O HETATM 3014 O HOH 16 23.426 23.493 -13.381 1.00 42.95 O HETATM 3015 O HOH 17 15.721 30.592 6.202 1.00 47.71 O HETATM 3016 O HOH 18 10.189 23.098 -10.434 1.00 42.59 O HETATM 3017 O HOH 19 21.199 26.411 -6.935 1.00 26.10 O HETATM 3018 O HOH 20 29.843 24.681 6.407 1.00 40.20 O HETATM 3019 O HOH 21 29.953 23.109 15.633 1.00 29.84 O HETATM 3020 O HOH 22 15.144 19.191 -15.990 1.00 34.08 O HETATM 3021 O HOH 23 28.282 32.863 8.509 1.00 35.77 O HETATM 3022 O HOH 24 14.445 27.078 11.553 1.00 40.76 O HETATM 3023 O HOH 25 22.237 31.884 4.356 1.00 40.97 O HETATM 3024 O HOH 26 13.015 15.846 22.828 1.00 53.28 O HETATM 3025 O HOH 27 20.637 12.758 18.634 1.00 38.23 O HETATM 3026 O HOH 28 28.085 21.015 -3.812 1.00 53.31 O HETATM 3027 O HOH 29 0.990 8.609 -8.863 1.00 39.68 O HETATM 3028 O HOH 30 23.972 14.487 11.934 1.00 41.06 O HETATM 3029 O HOH 31 11.711 8.691 10.831 1.00 38.78 O HETATM 3030 O HOH 32 6.517 18.368 -10.198 1.00 27.59 O HETATM 3031 O HOH 33 8.513 11.668 5.248 1.00 29.02 O HETATM 3032 O HOH 34 25.659 21.873 -5.596 1.00 46.56 O HETATM 3033 O HOH 35 20.328 24.980 -9.201 1.00 29.89 O HETATM 3034 O HOH 36 29.177 30.643 5.660 1.00 44.19 O HETATM 3035 O HOH 37 7.044 10.210 10.853 1.00 56.87 O HETATM 3036 O HOH 38 2.520 18.074 -3.882 1.00 49.57 O HETATM 3037 O HOH 39 31.145 20.244 14.948 1.00 39.88 O HETATM 3038 O HOH 40 26.954 22.535 8.883 1.00 24.16 O HETATM 3039 O HOH 41 11.249 14.133 14.888 1.00 32.74 O HETATM 3040 O HOH 42 6.174 17.463 -2.681 1.00 41.28 O HETATM 3041 O HOH 43 7.716 20.614 -8.324 1.00 36.38 O HETATM 3042 O HOH 44 23.393 15.254 -16.085 1.00 43.56 O HETATM 3043 O HOH 45 9.772 19.349 0.061 1.00 45.36 O HETATM 3044 O HOH 46 29.513 25.093 3.601 1.00 28.74 O HETATM 3045 O HOH 47 22.597 3.371 3.057 1.00 56.25 O HETATM 3046 O HOH 48 27.343 13.169 5.523 1.00 39.28 O HETATM 3047 O HOH 49 15.597 30.194 -4.916 1.00 43.40 O HETATM 3048 O HOH 50 16.892 15.872 -13.696 1.00 40.62 O HETATM 3049 O HOH 51 18.558 33.155 -5.248 1.00 53.10 O HETATM 3050 O HOH 52 6.571 18.378 2.111 1.00 45.26 O HETATM 3051 O HOH 53 16.957 8.212 -9.122 1.00 43.35 O HETATM 3052 O HOH 54 21.460 8.527 13.602 1.00 53.48 O HETATM 3053 O HOH 55 28.978 13.303 3.567 1.00 26.82 O HETATM 3054 O HOH 56 33.878 13.278 -12.289 1.00 44.63 O HETATM 3055 O HOH 57 10.410 12.236 -10.388 1.00 35.21 O HETATM 3056 O HOH 58 2.467 10.508 -8.822 1.00 46.62 O HETATM 3057 O HOH 59 9.249 19.358 23.241 1.00 57.01 O HETATM 3058 O HOH 60 11.134 7.063 -4.967 1.00 52.30 O HETATM 3059 O HOH 61 0.052 18.647 -6.787 1.00 38.79 O HETATM 3060 O HOH 62 33.526 15.173 -0.006 1.00 39.27 O HETATM 3061 O HOH 63 19.209 8.622 -10.551 1.00 56.47 O HETATM 3062 O HOH 64 12.855 25.278 17.596 1.00 55.52 O HETATM 3063 O HOH 65 10.070 13.344 30.086 1.00 67.41 O HETATM 3064 O HOH 66 13.237 28.807 10.444 1.00 37.62 O HETATM 3065 O HOH 67 15.675 7.251 -5.377 1.00 45.29 O HETATM 3066 O HOH 68 12.925 6.770 6.424 1.00 53.18 O HETATM 3067 O HOH 69 29.156 28.565 9.191 1.00 38.53 O HETATM 3068 O HOH 70 11.651 11.083 17.484 1.00 56.10 O HETATM 3069 O HOH 71 7.748 17.238 20.613 1.00 57.72 O HETATM 3070 O HOH 72 18.938 33.845 -2.158 1.00 60.44 O HETATM 3071 O HOH 73 22.452 25.424 -10.717 1.00 44.17 O HETATM 3072 O HOH 74 30.763 26.932 7.591 1.00 47.33 O HETATM 3073 O HOH 75 28.465 27.005 -0.256 1.00 49.39 O HETATM 3074 O HOH 76 10.556 17.224 28.049 1.00 56.69 O HETATM 3075 O HOH 77 26.255 24.140 -8.297 1.00 54.71 O HETATM 3076 O HOH 78 12.811 15.375 30.697 1.00 48.04 O HETATM 3077 O HOH 79 36.429 18.462 22.145 1.00 44.02 O HETATM 3078 O HOH 80 40.387 17.205 28.340 1.00 53.99 O HETATM 3079 O HOH 81 27.300 -5.077 26.408 1.00 40.57 O HETATM 3080 O HOH 82 43.938 1.729 29.593 1.00 49.19 O HETATM 3081 O HOH 83 28.775 5.376 37.527 1.00 43.86 O HETATM 3082 O HOH 84 15.684 9.572 26.248 1.00 43.92 O HETATM 3083 O HOH 85 48.728 4.051 25.571 1.00 41.09 O HETATM 3084 O HOH 86 39.432 2.645 34.484 1.00 30.74 O HETATM 3085 O HOH 87 40.324 7.634 12.050 1.00 38.85 O HETATM 3086 O HOH 88 27.457 2.974 32.932 1.00 43.81 O HETATM 3087 O HOH 89 28.875 10.156 9.091 1.00 38.07 O HETATM 3088 O HOH 90 29.032 -3.744 23.462 1.00 35.75 O HETATM 3089 O HOH 91 26.604 10.734 34.483 1.00 24.86 O HETATM 3090 O HOH 92 19.756 9.333 37.081 1.00 46.80 O HETATM 3091 O HOH 93 31.797 1.259 12.006 1.00 40.97 O HETATM 3092 O HOH 94 39.365 13.939 14.366 1.00 28.25 O HETATM 3093 O HOH 95 24.637 -7.234 24.743 1.00 38.78 O HETATM 3094 O HOH 96 36.362 -1.584 12.884 1.00 40.53 O HETATM 3095 O HOH 97 24.008 10.150 34.164 1.00 24.79 O HETATM 3096 O HOH 98 25.969 12.486 12.376 1.00 27.97 O HETATM 3097 O HOH 99 28.458 12.194 10.725 1.00 34.11 O HETATM 3098 O HOH 100 15.915 9.134 23.646 1.00 43.83 O HETATM 3099 O HOH 101 34.639 15.060 18.227 1.00 26.93 O HETATM 3100 O HOH 102 25.322 26.221 26.929 1.00 27.64 O HETATM 3101 O HOH 103 26.368 4.259 35.671 1.00 52.42 O HETATM 3102 O HOH 104 32.500 4.113 38.160 1.00 45.30 O HETATM 3103 O HOH 105 47.343 6.764 19.828 1.00 45.03 O HETATM 3104 O HOH 106 41.435 13.992 25.874 1.00 30.24 O HETATM 3105 O HOH 107 20.920 10.510 17.960 1.00 42.19 O HETATM 3106 O HOH 108 34.965 7.005 44.476 1.00 58.84 O HETATM 3107 O HOH 109 24.901 4.075 31.602 1.00 32.91 O HETATM 3108 O HOH 110 32.427 14.836 10.409 1.00 28.62 O HETATM 3109 O HOH 111 41.878 -2.293 16.712 1.00 35.08 O HETATM 3110 O HOH 112 20.481 13.575 33.889 1.00 48.91 O HETATM 3111 O HOH 113 40.261 15.872 16.035 1.00 43.73 O HETATM 3112 O HOH 114 19.564 2.920 19.977 1.00 46.19 O HETATM 3113 O HOH 115 41.113 10.410 17.061 1.00 45.18 O HETATM 3114 O HOH 116 30.396 -1.315 27.029 1.00 22.66 O HETATM 3115 O HOH 117 27.159 20.834 28.187 1.00 46.71 O HETATM 3116 O HOH 118 22.305 -2.997 30.550 1.00 44.08 O HETATM 3117 O HOH 119 36.302 -6.372 14.912 1.00 51.06 O HETATM 3118 O HOH 120 18.606 6.854 18.805 1.00 52.63 O HETATM 3119 O HOH 121 21.952 -0.193 15.638 1.00 46.77 O HETATM 3120 O HOH 122 30.089 3.704 10.157 1.00 47.06 O HETATM 3121 O HOH 123 47.673 12.977 22.179 1.00 52.85 O HETATM 3122 O HOH 124 47.967 3.137 28.323 1.00 62.88 O HETATM 3123 O HOH 125 32.156 19.999 22.213 1.00 50.71 O HETATM 3124 O HOH 126 23.691 11.889 14.972 1.00 44.46 O HETATM 3125 O HOH 127 33.136 17.057 19.319 1.00 28.15 O HETATM 3126 O HOH 128 28.508 23.776 20.461 1.00 41.33 O HETATM 3127 O HOH 129 35.347 20.764 19.691 1.00 54.14 O HETATM 3128 O HOH 130 22.874 19.663 28.501 1.00 44.32 O HETATM 3129 O HOH 131 19.505 5.606 12.508 1.00 62.42 O HETATM 3130 O HOH 132 18.047 -6.700 27.148 1.00 59.01 O HETATM 3131 O HOH 133 13.004 2.860 23.635 1.00 45.60 O HETATM 3132 O HOH 134 15.669 -7.403 24.326 1.00 58.97 O HETATM 3133 O HOH 135 24.602 -11.109 27.524 1.00 47.02 O HETATM 3134 O HOH 136 26.767 -0.346 32.920 1.00 42.79 O HETATM 3135 O HOH 137 22.846 12.405 34.825 1.00 38.40 O HETATM 3136 O HOH 138 33.673 17.290 32.457 1.00 59.35 O HETATM 3137 O HOH 139 41.395 16.946 24.354 1.00 51.11 O HETATM 3138 O HOH 140 39.995 -9.373 14.239 1.00 52.82 O HETATM 3139 O HOH 141 30.020 -5.086 16.129 1.00 44.15 O HETATM 3140 O HOH 142 11.014 16.773 30.552 1.00 53.34 O HETATM 3141 O HOH 143 41.665 -4.887 -1.110 1.00 39.31 O HETATM 3142 O HOH 144 27.949 -18.914 2.464 1.00 49.01 O HETATM 3143 O HOH 145 28.774 -10.610 -18.088 1.00 49.37 O HETATM 3144 O HOH 146 35.007 -15.743 -1.839 1.00 43.72 O HETATM 3145 O HOH 147 24.434 3.598 -3.802 1.00 53.43 O HETATM 3146 O HOH 148 41.815 -0.169 4.126 1.00 48.61 O HETATM 3147 O HOH 149 27.567 -24.977 -7.234 1.00 64.05 O HETATM 3148 O HOH 150 42.236 -4.827 -7.380 1.00 45.00 O HETATM 3149 O HOH 151 37.925 5.287 4.009 1.00 54.12 O HETATM 3150 O HOH 152 30.592 1.415 2.967 1.00 52.38 O HETATM 3151 O HOH 153 18.917 2.897 -4.854 1.00 62.84 O HETATM 3152 O HOH 154 36.013 7.740 -13.077 1.00 48.89 O HETATM 3153 O HOH 155 21.043 -5.146 -11.985 1.00 45.56 O HETATM 3154 O HOH 156 33.206 -17.805 -2.355 1.00 45.68 O HETATM 3155 O HOH 157 15.007 -1.703 -16.557 1.00 55.20 O HETATM 3156 O HOH 158 33.423 -4.571 4.190 1.00 40.22 O HETATM 3157 O HOH 159 35.232 -6.820 -15.620 1.00 37.09 O HETATM 3158 O HOH 160 28.077 -10.855 7.657 1.00 59.83 O HETATM 3159 O HOH 161 39.434 1.623 -10.474 1.00 48.56 O HETATM 3160 O HOH 162 22.123 -2.614 -0.484 1.00 48.38 O HETATM 3161 O HOH 163 31.796 0.518 0.673 1.00 37.48 O HETATM 3162 O HOH 164 25.900 7.854 -18.528 1.00 61.23 O HETATM 3163 O HOH 165 20.610 -15.738 1.897 1.00 54.07 O HETATM 3164 O HOH 166 29.242 -13.311 1.446 1.00 50.51 O HETATM 3165 O HOH 167 30.178 -20.058 1.327 1.00 61.02 O HETATM 3166 O HOH 168 14.971 -8.273 -18.861 1.00 54.88 O HETATM 3167 O HOH 169 16.742 -15.218 3.619 1.00 54.55 O HETATM 3168 O HOH 170 19.309 -19.011 6.158 1.00 58.61 O HETATM 3169 O HOH 171 35.002 8.263 -1.242 1.00 51.92 O HETATM 3170 O HOH 172 29.178 -11.991 5.289 1.00 56.33 O HETATM 3171 O HOH 173 39.448 3.811 -15.096 1.00 54.07 O HETATM 3172 O HOH 174 21.415 10.465 -14.219 1.00 56.84 O HETATM 3173 O HOH 175 35.473 9.855 -14.549 1.00 52.79 O HETATM 3174 O HOH 176 26.788 11.859 -16.011 1.00 53.43 O HETATM 3175 O HOH 177 14.424 1.362 -12.368 1.00 57.58 O HETATM 3176 O HOH 178 18.439 3.057 -9.974 1.00 55.43 O HETATM 3177 O HOH 179 42.904 -0.902 -9.019 1.00 50.95 O HETATM 3178 O HOH 180 45.045 -9.091 1.637 1.00 64.05 O HETATM 3179 O HOH 181 28.461 -10.757 3.226 1.00 56.84 O HETATM 3180 O HOH 182 16.990 -13.678 -9.196 1.00 43.23 O HETATM 3181 O HOH 183 17.208 -10.850 -8.702 1.00 49.45 O HETATM 3182 O HOH 184 30.711 -7.410 9.690 1.00 53.22 O HETATM 3183 O HOH 185 20.245 -7.784 -20.383 1.00 58.65 O HETATM 3184 O HOH 186 18.667 -19.816 -0.435 1.00 63.37 O HETATM 3185 O HOH 187 23.210 -9.448 -21.570 1.00 58.77 O HETATM 3186 C4 JO A 5 27.237 -15.336 5.622 1.00 -0.03 C HETATM 3187 C5 JO A 5 26.853 -14.034 5.914 1.00 -0.06 C HETATM 3188 C6 JO A 5 26.304 -13.214 4.929 1.00 -0.05 C HETATM 3189 C7 JO A 5 26.130 -13.763 3.671 1.00 0.06 C HETATM 3190 C8 JO A 5 25.603 -13.122 2.451 1.00 0.24 C HETATM 3191 N2 JO A 5 25.711 -14.059 1.416 1.00 -0.16 N HETATM 3192 C9 JO A 5 25.135 -13.786 0.100 1.00 0.18 C HETATM 3193 C10 JO A 5 25.804 -14.149 -1.247 1.00 0.09 C HETATM 3194 C11 JO A 5 24.620 -14.473 -2.140 1.00 0.21 C HETATM 3195 N3 JO A 5 23.528 -14.634 -1.331 1.00 -0.20 N HETATM 3196 C12 JO A 5 23.806 -14.490 -0.013 1.00 0.24 C HETATM 3197 O4 JO A 5 23.075 -14.778 0.889 1.00 -0.38 O HETATM 3198 H9 JO A 5 22.613 -14.838 -1.679 1.00 0.23 H HETATM 3199 O3 JO A 5 24.546 -14.620 -3.358 1.00 -0.39 O HETATM 3200 H5 JO A 5 26.378 -13.299 -1.645 1.00 0.06 H HETATM 3201 H6 JO A 5 26.466 -15.020 -1.137 1.00 0.06 H HETATM 3202 H4 JO A 5 24.977 -12.698 0.081 1.00 0.09 H HETATM 3203 C1 JO A 5 26.176 -15.297 1.914 1.00 0.23 C HETATM 3204 O1 JO A 5 26.168 -16.354 1.321 1.00 -0.37 O HETATM 3205 C2 JO A 5 26.511 -15.061 3.342 1.00 0.09 C HETATM 3206 C3 JO A 5 27.073 -15.876 4.337 1.00 0.06 C HETATM 3207 N1 JO A 5 27.444 -17.161 4.059 1.00 -0.33 N HETATM 3208 H7 JO A 5 27.855 -17.750 4.798 1.00 0.17 H HETATM 3209 H8 JO A 5 27.312 -17.541 3.111 1.00 0.17 H HETATM 3210 O2 JO A 5 25.135 -12.016 2.324 1.00 -0.37 O HETATM 3211 H3 JO A 5 26.025 -12.188 5.140 1.00 0.06 H HETATM 3212 H2 JO A 5 26.982 -13.650 6.920 1.00 0.06 H HETATM 3213 H1 JO A 5 27.673 -15.948 6.403 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 78 77 2999 CONECT 114 113 2999 CONECT 701 700 2999 CONECT 725 724 2999 CONECT 1014 1015 1019 1020 1021 CONECT 1019 1014 CONECT 1020 1014 CONECT 1021 1014 CONECT 1073 1072 3000 CONECT 1109 1108 3000 CONECT 1713 1712 3000 CONECT 1737 1736 3000 CONECT 2012 2013 2016 2017 2018 CONECT 2016 2012 CONECT 2017 2012 CONECT 2018 2012 CONECT 2076 2075 3001 CONECT 2103 2102 3001 CONECT 2702 2701 3001 CONECT 2726 2725 3001 CONECT 2999 78 114 701 725 CONECT 3000 1073 1109 1713 1737 CONECT 3001 2076 2103 2702 2726 CONECT 3186 3187 3206 3213 CONECT 3187 3186 3188 3212 CONECT 3188 3187 3189 3211 CONECT 3189 3188 3190 3205 CONECT 3190 3189 3191 3210 CONECT 3191 3190 3192 3203 CONECT 3192 3191 3193 3196 3202 CONECT 3193 3192 3194 3200 3201 CONECT 3194 3193 3195 3199 CONECT 3195 3194 3196 3198 CONECT 3196 3192 3195 3197 CONECT 3197 3196 CONECT 3198 3195 CONECT 3199 3194 CONECT 3200 3193 CONECT 3201 3193 CONECT 3202 3192 CONECT 3203 3191 3204 3205 CONECT 3204 3203 CONECT 3205 3189 3203 3206 CONECT 3206 3186 3205 3207 CONECT 3207 3206 3208 3209 CONECT 3208 3207 CONECT 3209 3207 CONECT 3210 3190 CONECT 3211 3188 CONECT 3212 3187 CONECT 3213 3186 MASTER 0 0 0 0 0 0 0 0 3210 3 55 27 END
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Related entries of code: 6r0u
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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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%
6r1c
RCSB PDB
PDBbind
125aa, >6R1C_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%
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
6r0u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cereblon isoform 4
Ligand Name
JO5
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Ki=40uM
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
2
H
9
N
3
O
4
Molecular Weight
259.218
Exact Mass
259.059
No. of atoms
28
No. of bonds
30
Polar Surface Area
109.57
LOGP Value
-0.36 (
Computed with XLOGP3
)
0.13 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
O=C1NC(=O)[C@H](C1)N1C(=O)c2c(C1=O)c(N)ccc2
InChI String
InChI=1S/C12H9N3O4/c13-6-3-1-2-5-9(6)12(19)15(11(5)18)7-4-8(16)14-10(7)17/h1-3,7H,4,13H2,(H,14,16,17)/t7-/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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