Browse entries in the PDBbind-CN Database
HEADER 6DQ6_COMPLEX COMPND 6DQ6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 74 GLU PHE VAL PRO PRO PRO GLU CYS PRO VAL PHE GLU PRO SEQRES 2 A 74 SER TRP GLU GLU PHE THR ASP PRO LEU SER PHE ILE GLY SEQRES 3 A 74 ARG ILE ARG PRO LEU ALA GLU LYS THR GLY ILE CYS LYS SEQRES 4 A 74 ILE ARG PRO PRO LYS ASP TRP GLN PRO PRO PHE ALA CYS SEQRES 5 A 74 GLU VAL LYS SER PHE ARG PHE THR PRO ARG VAL GLN ARG SEQRES 6 A 74 LEU ASN GLU LEU GLU ALA MET THR ARG SEQRES 1 A 102 ARG GLU TYR THR LEU GLN SER PHE GLY GLU MET ALA ASP SEQRES 2 A 102 ASN PHE LYS SER ASP TYR PHE ASN MET PRO VAL HIS MET SEQRES 3 A 102 VAL PRO THR GLU LEU VAL GLU LYS GLU PHE TRP ARG LEU SEQRES 4 A 102 VAL SER SER ILE GLU GLU ASP VAL ILE VAL GLU TYR GLY SEQRES 5 A 102 ALA ASP ILE SER SER LYS ASP PHE GLY SER GLY PHE PRO SEQRES 6 A 102 VAL LYS ASP GLY ARG ARG LYS ILE LEU PRO GLU GLU GLU SEQRES 7 A 102 GLU TYR ALA LEU SER GLY TRP ASN LEU ASN ASN MET PRO SEQRES 8 A 102 VAL LEU GLU GLN SER VAL LEU ALA HIS ILE ASN SEQRES 1 A 122 LYS VAL PRO TRP LEU TYR VAL GLY MET CYS PHE SER SER SEQRES 2 A 122 PHE CYS TRP HIS ILE GLU ASP HIS TRP SER TYR SER ILE SEQRES 3 A 122 ASN TYR LEU HIS TRP GLY GLU PRO LYS THR TRP TYR GLY SEQRES 4 A 122 VAL PRO SER HIS ALA ALA GLU GLN LEU GLU GLU VAL MET SEQRES 5 A 122 ARG GLU LEU ALA PRO GLU LEU PHE GLU SER GLN PRO ASP SEQRES 6 A 122 LEU LEU HIS GLN LEU VAL THR ILE MET ASN PRO ASN VAL SEQRES 7 A 122 LEU MET GLU HIS GLY VAL PRO VAL TYR ARG THR ASN GLN SEQRES 8 A 122 CYS ALA GLY GLU PHE VAL VAL THR PHE PRO ARG ALA TYR SEQRES 9 A 122 HIS SER GLY PHE ASN GLN GLY TYR ASN PHE ALA GLU ALA SEQRES 10 A 122 VAL ASN PHE CYS THR HET MN A 1 1 HET H A 6J 53 ATOM 1 N GLU A 12 -41.807 6.864 18.415 1.00 63.50 N ATOM 2 CA GLU A 12 -42.470 6.186 17.307 1.00 50.28 C ATOM 3 C GLU A 12 -41.500 5.956 16.153 1.00 20.96 C ATOM 4 O GLU A 12 -41.720 5.084 15.312 1.00 38.84 O ATOM 5 CB GLU A 12 -43.677 6.995 16.828 1.00 43.54 C ATOM 6 HN3 GLU A 12 -41.447 7.784 18.091 1.00 0.00 H ATOM 7 HN2 GLU A 12 -41.016 6.280 18.753 1.00 0.00 H ATOM 8 HN1 GLU A 12 -42.487 7.009 19.188 1.00 0.00 H ATOM 9 N PHE A 13 -40.426 6.742 16.127 1.00 33.69 N ATOM 10 CA PHE A 13 -39.459 6.658 15.041 1.00 29.01 C ATOM 11 C PHE A 13 -38.761 5.305 15.046 1.00 33.80 C ATOM 12 O PHE A 13 -38.308 4.826 16.090 1.00 28.77 O ATOM 13 CB PHE A 13 -38.432 7.785 15.160 1.00 29.71 C ATOM 14 CG PHE A 13 -37.418 7.802 14.050 1.00 23.66 C ATOM 15 CD1 PHE A 13 -37.754 8.284 12.796 1.00 20.92 C ATOM 16 CD2 PHE A 13 -36.127 7.345 14.262 1.00 21.89 C ATOM 17 CE1 PHE A 13 -36.825 8.304 11.772 1.00 25.31 C ATOM 18 CE2 PHE A 13 -35.194 7.363 13.242 1.00 19.89 C ATOM 19 CZ PHE A 13 -35.543 7.843 11.996 1.00 23.42 C ATOM 20 H PHE A 13 -40.275 7.427 16.895 1.00 0.00 H ATOM 21 N VAL A 14 -38.683 4.686 13.871 1.00 22.61 N ATOM 22 CA VAL A 14 -37.980 3.421 13.687 1.00 21.66 C ATOM 23 C VAL A 14 -36.628 3.736 13.047 1.00 26.10 C ATOM 24 O VAL A 14 -36.596 4.187 11.890 1.00 19.19 O ATOM 25 CB VAL A 14 -38.788 2.444 12.825 1.00 19.99 C ATOM 26 CG1 VAL A 14 -37.968 1.198 12.530 1.00 33.88 C ATOM 27 CG2 VAL A 14 -40.088 2.078 13.524 1.00 27.19 C ATOM 28 H VAL A 14 -39.143 5.123 13.047 1.00 0.00 H ATOM 29 N PRO A 15 -35.516 3.538 13.747 1.00 17.44 N ATOM 30 CA PRO A 15 -34.204 3.833 13.162 1.00 19.68 C ATOM 31 C PRO A 15 -33.944 2.975 11.938 1.00 17.73 C ATOM 32 O PRO A 15 -34.162 1.754 11.964 1.00 17.65 O ATOM 33 CB PRO A 15 -33.227 3.494 14.298 1.00 19.38 C ATOM 34 CG PRO A 15 -34.043 3.618 15.545 1.00 19.48 C ATOM 35 CD PRO A 15 -35.418 3.155 15.165 1.00 20.23 C ATOM 36 N PRO A 16 -33.493 3.579 10.842 1.00 17.74 N ATOM 37 CA PRO A 16 -33.131 2.801 9.651 1.00 16.40 C ATOM 38 C PRO A 16 -31.970 1.868 9.946 1.00 15.72 C ATOM 39 O PRO A 16 -31.281 2.022 10.966 1.00 16.51 O ATOM 40 CB PRO A 16 -32.733 3.883 8.633 1.00 12.26 C ATOM 41 CG PRO A 16 -33.418 5.127 9.110 1.00 16.45 C ATOM 42 CD PRO A 16 -33.415 5.030 10.606 1.00 14.62 C ATOM 43 N PRO A 17 -31.725 0.876 9.088 1.00 14.81 N ATOM 44 CA PRO A 17 -30.571 -0.004 9.302 1.00 14.73 C ATOM 45 C PRO A 17 -29.263 0.766 9.203 1.00 14.87 C ATOM 46 O PRO A 17 -29.173 1.803 8.542 1.00 16.28 O ATOM 47 CB PRO A 17 -30.701 -1.041 8.180 1.00 20.55 C ATOM 48 CG PRO A 17 -31.548 -0.380 7.147 1.00 24.19 C ATOM 49 CD PRO A 17 -32.512 0.472 7.911 1.00 18.81 C ATOM 50 N GLU A 18 -28.242 0.244 9.878 1.00 17.20 N ATOM 51 CA GLU A 18 -26.950 0.913 9.919 1.00 13.02 C ATOM 52 C GLU A 18 -26.230 0.800 8.580 1.00 15.43 C ATOM 53 O GLU A 18 -26.275 -0.239 7.914 1.00 14.66 O ATOM 54 CB GLU A 18 -26.081 0.320 11.027 1.00 17.12 C ATOM 55 CG GLU A 18 -26.591 0.574 12.439 1.00 16.55 C ATOM 56 CD GLU A 18 -26.510 2.036 12.837 1.00 21.64 C ATOM 57 OE1 GLU A 18 -27.471 2.541 13.455 1.00 23.57 O ATOM 58 OE2 GLU A 18 -25.485 2.681 12.531 1.00 19.24 O ATOM 59 H GLU A 18 -28.369 -0.656 10.384 1.00 0.00 H ATOM 60 N CYS A 19 -25.559 1.879 8.191 1.00 14.03 N ATOM 61 CA CYS A 19 -24.727 1.887 6.998 1.00 14.05 C ATOM 62 C CYS A 19 -23.405 1.188 7.296 1.00 13.60 C ATOM 63 O CYS A 19 -23.059 0.955 8.457 1.00 16.33 O ATOM 64 CB CYS A 19 -24.512 3.327 6.533 1.00 14.01 C ATOM 65 SG CYS A 19 -23.174 4.190 7.377 1.00 16.11 S ATOM 66 H CYS A 19 -25.631 2.747 8.759 1.00 0.00 H ATOM 67 N PRO A 20 -22.642 0.815 6.265 1.00 12.51 N ATOM 68 CA PRO A 20 -21.381 0.104 6.511 1.00 12.83 C ATOM 69 C PRO A 20 -20.371 0.968 7.247 1.00 19.37 C ATOM 70 O PRO A 20 -20.260 2.173 7.010 1.00 16.91 O ATOM 71 CB PRO A 20 -20.888 -0.247 5.102 1.00 16.68 C ATOM 72 CG PRO A 20 -22.107 -0.221 4.255 1.00 18.64 C ATOM 73 CD PRO A 20 -22.966 0.862 4.828 1.00 14.62 C ATOM 74 N VAL A 21 -19.630 0.333 8.152 1.00 16.35 N ATOM 75 CA VAL A 21 -18.527 0.961 8.866 1.00 12.77 C ATOM 76 C VAL A 21 -17.261 0.182 8.545 1.00 16.46 C ATOM 77 O VAL A 21 -17.242 -1.050 8.651 1.00 19.77 O ATOM 78 CB VAL A 21 -18.771 0.996 10.386 1.00 17.39 C ATOM 79 CG1 VAL A 21 -17.709 1.845 11.071 1.00 23.35 C ATOM 80 CG2 VAL A 21 -20.166 1.515 10.688 1.00 29.56 C ATOM 81 H VAL A 21 -19.850 -0.662 8.360 1.00 0.00 H ATOM 82 N PHE A 22 -16.212 0.895 8.149 1.00 14.70 N ATOM 83 CA PHE A 22 -14.938 0.285 7.801 1.00 15.96 C ATOM 84 C PHE A 22 -13.864 0.747 8.774 1.00 25.21 C ATOM 85 O PHE A 22 -13.796 1.928 9.127 1.00 19.60 O ATOM 86 CB PHE A 22 -14.529 0.628 6.366 1.00 18.35 C ATOM 87 CG PHE A 22 -15.511 0.164 5.330 1.00 18.59 C ATOM 88 CD1 PHE A 22 -15.519 -1.155 4.905 1.00 20.47 C ATOM 89 CD2 PHE A 22 -16.428 1.045 4.780 1.00 15.39 C ATOM 90 CE1 PHE A 22 -16.424 -1.586 3.951 1.00 21.38 C ATOM 91 CE2 PHE A 22 -17.335 0.621 3.827 1.00 17.23 C ATOM 92 CZ PHE A 22 -17.332 -0.697 3.412 1.00 19.23 C ATOM 93 H PHE A 22 -16.305 1.929 8.085 1.00 0.00 H ATOM 94 N GLU A 23 -13.028 -0.198 9.207 1.00 21.78 N ATOM 95 CA GLU A 23 -11.903 0.069 10.098 1.00 23.04 C ATOM 96 C GLU A 23 -10.637 -0.361 9.367 1.00 25.42 C ATOM 97 O GLU A 23 -10.102 -1.453 9.616 1.00 31.59 O ATOM 98 CB GLU A 23 -12.065 -0.657 11.432 1.00 30.28 C ATOM 99 CG GLU A 23 -13.360 -0.315 12.151 1.00 26.98 C ATOM 100 CD GLU A 23 -13.481 -0.995 13.498 1.00 56.64 C ATOM 101 OE1 GLU A 23 -14.527 -0.821 14.158 1.00 49.53 O ATOM 102 OE2 GLU A 23 -12.532 -1.702 13.899 1.00 72.29 O ATOM 103 H GLU A 23 -13.186 -1.177 8.893 1.00 0.00 H ATOM 104 N PRO A 24 -10.136 0.467 8.452 1.00 24.60 N ATOM 105 CA PRO A 24 -9.000 0.049 7.624 1.00 27.16 C ATOM 106 C PRO A 24 -7.737 -0.146 8.448 1.00 37.24 C ATOM 107 O PRO A 24 -7.491 0.564 9.426 1.00 28.75 O ATOM 108 CB PRO A 24 -8.846 1.203 6.627 1.00 32.12 C ATOM 109 CG PRO A 24 -9.449 2.382 7.323 1.00 26.29 C ATOM 110 CD PRO A 24 -10.595 1.826 8.116 1.00 22.87 C ATOM 111 N SER A 25 -6.938 -1.130 8.044 1.00 31.72 N ATOM 112 CA SER A 25 -5.611 -1.293 8.609 1.00 45.87 C ATOM 113 C SER A 25 -4.718 -0.135 8.169 1.00 29.36 C ATOM 114 O SER A 25 -5.091 0.692 7.332 1.00 30.08 O ATOM 115 CB SER A 25 -5.006 -2.629 8.179 1.00 34.54 C ATOM 116 OG SER A 25 -4.821 -2.673 6.774 1.00 35.56 O ATOM 117 HG SER A 25 -5.695 -2.560 6.323 1.00 0.00 H ATOM 118 H SER A 25 -7.269 -1.792 7.313 1.00 0.00 H ATOM 119 N TRP A 26 -3.516 -0.078 8.748 1.00 41.60 N ATOM 120 CA TRP A 26 -2.565 0.950 8.339 1.00 29.20 C ATOM 121 C TRP A 26 -2.187 0.807 6.871 1.00 29.88 C ATOM 122 O TRP A 26 -1.935 1.811 6.194 1.00 36.49 O ATOM 123 CB TRP A 26 -1.319 0.901 9.222 1.00 40.60 C ATOM 124 CG TRP A 26 -1.477 1.647 10.510 1.00 43.97 C ATOM 125 CD1 TRP A 26 -1.623 1.113 11.757 1.00 54.19 C ATOM 126 CD2 TRP A 26 -1.510 3.070 10.677 1.00 39.23 C ATOM 127 NE1 TRP A 26 -1.741 2.115 12.691 1.00 38.21 N ATOM 128 CE2 TRP A 26 -1.674 3.325 12.053 1.00 37.17 C ATOM 129 CE3 TRP A 26 -1.415 4.152 9.797 1.00 44.50 C ATOM 130 CZ2 TRP A 26 -1.747 4.618 12.569 1.00 47.24 C ATOM 131 CZ3 TRP A 26 -1.486 5.435 10.311 1.00 48.31 C ATOM 132 CH2 TRP A 26 -1.651 5.657 11.684 1.00 31.93 C ATOM 133 HE1 TRP A 26 -1.861 1.977 13.715 1.00 0.00 H ATOM 134 H TRP A 26 -3.259 -0.763 9.487 1.00 0.00 H ATOM 135 N GLU A 27 -2.155 -0.424 6.358 1.00 35.13 N ATOM 136 CA GLU A 27 -1.876 -0.628 4.941 1.00 39.54 C ATOM 137 C GLU A 27 -3.024 -0.119 4.078 1.00 40.39 C ATOM 138 O GLU A 27 -2.803 0.560 3.068 1.00 42.18 O ATOM 139 CB GLU A 27 -1.610 -2.108 4.667 1.00 51.69 C ATOM 140 H GLU A 27 -2.330 -1.244 6.973 1.00 0.00 H ATOM 141 N GLU A 28 -4.263 -0.437 4.463 1.00 52.32 N ATOM 142 CA GLU A 28 -5.418 0.023 3.700 1.00 36.01 C ATOM 143 C GLU A 28 -5.603 1.532 3.811 1.00 33.77 C ATOM 144 O GLU A 28 -6.185 2.151 2.913 1.00 33.87 O ATOM 145 CB GLU A 28 -6.680 -0.700 4.172 1.00 34.24 C ATOM 146 CG GLU A 28 -6.657 -2.203 3.949 1.00 43.33 C ATOM 147 CD GLU A 28 -7.765 -2.918 4.698 1.00 55.13 C ATOM 148 OE1 GLU A 28 -8.055 -2.527 5.847 1.00 46.63 O ATOM 149 OE2 GLU A 28 -8.349 -3.868 4.136 1.00106.00 O ATOM 150 H GLU A 28 -4.405 -1.018 5.314 1.00 0.00 H ATOM 151 N PHE A 29 -5.114 2.135 4.892 1.00 34.65 N ATOM 152 CA PHE A 29 -5.255 3.563 5.146 1.00 29.57 C ATOM 153 C PHE A 29 -4.253 4.407 4.364 1.00 37.61 C ATOM 154 O PHE A 29 -4.160 5.616 4.605 1.00 32.77 O ATOM 155 CB PHE A 29 -5.107 3.830 6.647 1.00 30.99 C ATOM 156 CG PHE A 29 -5.734 5.116 7.108 1.00 28.70 C ATOM 157 CD1 PHE A 29 -7.103 5.305 7.019 1.00 24.57 C ATOM 158 CD2 PHE A 29 -4.956 6.124 7.652 1.00 29.17 C ATOM 159 CE1 PHE A 29 -7.684 6.483 7.450 1.00 21.23 C ATOM 160 CE2 PHE A 29 -5.530 7.304 8.085 1.00 31.51 C ATOM 161 CZ PHE A 29 -6.896 7.484 7.983 1.00 27.73 C ATOM 162 H PHE A 29 -4.605 1.557 5.591 1.00 0.00 H ATOM 163 N THR A 30 -3.517 3.807 3.426 1.00 67.56 N ATOM 164 CA THR A 30 -2.423 4.522 2.776 1.00 41.70 C ATOM 165 C THR A 30 -2.938 5.582 1.809 1.00 56.38 C ATOM 166 O THR A 30 -2.432 6.710 1.793 1.00 49.51 O ATOM 167 CB THR A 30 -1.507 3.534 2.053 1.00 66.92 C ATOM 168 OG1 THR A 30 -1.315 2.374 2.871 1.00 47.69 O ATOM 169 CG2 THR A 30 -0.155 4.172 1.786 1.00 55.64 C ATOM 170 HG1 THR A 30 -2.191 1.946 3.045 1.00 0.00 H ATOM 171 H THR A 30 -3.724 2.824 3.157 1.00 0.00 H ATOM 172 N ASP A 31 -3.938 5.246 0.995 1.00 41.42 N ATOM 173 CA ASP A 31 -4.477 6.174 0.004 1.00 50.72 C ATOM 174 C ASP A 31 -5.997 6.178 0.092 1.00 43.66 C ATOM 175 O ASP A 31 -6.625 5.103 -0.009 1.00 38.81 O ATOM 176 CB ASP A 31 -4.008 5.808 -1.407 1.00 53.80 C ATOM 177 CG ASP A 31 -4.622 6.695 -2.472 1.00 74.70 C ATOM 178 OD1 ASP A 31 -5.221 6.158 -3.426 1.00 69.87 O ATOM 179 OD2 ASP A 31 -4.524 7.934 -2.344 1.00 65.42 O ATOM 180 H ASP A 31 -4.348 4.293 1.068 1.00 0.00 H ATOM 181 N PRO A 32 -6.630 7.341 0.274 1.00 36.06 N ATOM 182 CA PRO A 32 -8.096 7.355 0.413 1.00 34.82 C ATOM 183 C PRO A 32 -8.836 6.955 -0.852 1.00 29.07 C ATOM 184 O PRO A 32 -9.786 6.167 -0.777 1.00 25.62 O ATOM 185 CB PRO A 32 -8.393 8.809 0.811 1.00 36.32 C ATOM 186 CG PRO A 32 -7.104 9.328 1.365 1.00 38.34 C ATOM 187 CD PRO A 32 -6.032 8.651 0.572 1.00 58.17 C ATOM 188 N LEU A 33 -8.438 7.481 -2.015 1.00 30.94 N ATOM 189 CA LEU A 33 -9.146 7.152 -3.249 1.00 25.52 C ATOM 190 C LEU A 33 -9.013 5.675 -3.601 1.00 21.84 C ATOM 191 O LEU A 33 -9.956 5.082 -4.137 1.00 21.47 O ATOM 192 CB LEU A 33 -8.644 8.023 -4.399 1.00 28.25 C ATOM 193 CG LEU A 33 -9.569 9.172 -4.808 1.00 38.76 C ATOM 194 CD1 LEU A 33 -9.758 10.150 -3.658 1.00 36.95 C ATOM 195 CD2 LEU A 33 -9.042 9.885 -6.046 1.00 44.99 C ATOM 196 H LEU A 33 -7.622 8.126 -2.041 1.00 0.00 H ATOM 197 N SER A 34 -7.862 5.065 -3.308 1.00 22.76 N ATOM 198 CA SER A 34 -7.721 3.629 -3.526 1.00 23.24 C ATOM 199 C SER A 34 -8.640 2.842 -2.602 1.00 20.25 C ATOM 200 O SER A 34 -9.259 1.858 -3.022 1.00 21.92 O ATOM 201 CB SER A 34 -6.268 3.202 -3.323 1.00 37.87 C ATOM 202 OG SER A 34 -6.134 1.792 -3.384 1.00 87.36 O ATOM 203 HG SER A 34 -5.185 1.546 -3.249 1.00 0.00 H ATOM 204 H SER A 34 -7.066 5.613 -2.924 1.00 0.00 H ATOM 205 N PHE A 35 -8.750 3.266 -1.341 1.00 21.60 N ATOM 206 CA PHE A 35 -9.596 2.548 -0.393 1.00 18.86 C ATOM 207 C PHE A 35 -11.073 2.729 -0.721 1.00 16.62 C ATOM 208 O PHE A 35 -11.848 1.767 -0.670 1.00 19.41 O ATOM 209 CB PHE A 35 -9.300 3.014 1.032 1.00 23.50 C ATOM 210 CG PHE A 35 -10.063 2.264 2.085 1.00 25.41 C ATOM 211 CD1 PHE A 35 -9.675 0.989 2.460 1.00 26.55 C ATOM 212 CD2 PHE A 35 -11.166 2.833 2.701 1.00 23.08 C ATOM 213 CE1 PHE A 35 -10.373 0.292 3.428 1.00 33.52 C ATOM 214 CE2 PHE A 35 -11.869 2.140 3.672 1.00 20.67 C ATOM 215 CZ PHE A 35 -11.471 0.869 4.034 1.00 20.63 C ATOM 216 H PHE A 35 -8.230 4.112 -1.033 1.00 0.00 H ATOM 217 N ILE A 36 -11.482 3.956 -1.057 1.00 17.09 N ATOM 218 CA ILE A 36 -12.877 4.213 -1.404 1.00 20.10 C ATOM 219 C ILE A 36 -13.266 3.454 -2.664 1.00 17.95 C ATOM 220 O ILE A 36 -14.401 2.972 -2.787 1.00 21.25 O ATOM 221 CB ILE A 36 -13.110 5.730 -1.548 1.00 22.25 C ATOM 222 CG1 ILE A 36 -12.926 6.420 -0.195 1.00 20.59 C ATOM 223 CG2 ILE A 36 -14.493 6.019 -2.109 1.00 23.24 C ATOM 224 CD1 ILE A 36 -12.825 7.926 -0.283 1.00 28.49 C ATOM 225 H ILE A 36 -10.797 4.739 -1.072 1.00 0.00 H ATOM 226 N GLY A 37 -12.336 3.318 -3.611 1.00 20.25 N ATOM 227 CA GLY A 37 -12.609 2.519 -4.793 1.00 21.51 C ATOM 228 C GLY A 37 -12.817 1.049 -4.487 1.00 21.18 C ATOM 229 O GLY A 37 -13.621 0.383 -5.146 1.00 22.77 O ATOM 230 H GLY A 37 -11.413 3.785 -3.503 1.00 0.00 H ATOM 231 N ARG A 38 -12.107 0.521 -3.487 1.00 18.79 N ATOM 232 CA ARG A 38 -12.239 -0.895 -3.157 1.00 22.59 C ATOM 233 C ARG A 38 -13.523 -1.176 -2.383 1.00 21.20 C ATOM 234 O ARG A 38 -14.139 -2.233 -2.563 1.00 21.17 O ATOM 235 CB ARG A 38 -11.018 -1.376 -2.367 1.00 22.86 C ATOM 236 CG ARG A 38 -9.716 -1.336 -3.159 1.00 34.49 C ATOM 237 CD ARG A 38 -8.542 -1.949 -2.396 1.00 33.95 C ATOM 238 NE ARG A 38 -8.672 -3.395 -2.230 1.00 63.41 N ATOM 239 CZ ARG A 38 -8.688 -4.017 -1.055 1.00115.69 C ATOM 240 NH1 ARG A 38 -8.570 -3.322 0.067 1.00114.23 N ATOM 241 NH2 ARG A 38 -8.812 -5.336 -1.003 1.00 78.93 N ATOM 242 HE ARG A 38 -8.758 -3.976 -3.088 1.00 0.00 H ATOM 243 HH12 ARG A 38 -8.583 -3.810 0.985 1.00 0.00 H ATOM 244 HH11 ARG A 38 -8.465 -2.288 0.030 1.00 0.00 H ATOM 245 HH22 ARG A 38 -8.824 -5.821 -0.083 1.00 0.00 H ATOM 246 HH21 ARG A 38 -8.897 -5.885 -1.882 1.00 0.00 H ATOM 247 H ARG A 38 -11.457 1.121 -2.941 1.00 0.00 H ATOM 248 N ILE A 39 -13.945 -0.247 -1.519 1.00 18.65 N ATOM 249 CA ILE A 39 -15.195 -0.421 -0.781 1.00 17.16 C ATOM 250 C ILE A 39 -16.420 -0.068 -1.606 1.00 19.42 C ATOM 251 O ILE A 39 -17.547 -0.314 -1.157 1.00 16.38 O ATOM 252 CB ILE A 39 -15.229 0.431 0.503 1.00 21.24 C ATOM 253 CG1 ILE A 39 -15.302 1.919 0.160 1.00 23.80 C ATOM 254 CG2 ILE A 39 -14.014 0.151 1.368 1.00 24.79 C ATOM 255 CD1 ILE A 39 -15.286 2.825 1.376 1.00 29.61 C ATOM 256 H ILE A 39 -13.376 0.611 -1.370 1.00 0.00 H ATOM 257 N ARG A 40 -16.230 0.495 -2.799 1.00 18.58 N ATOM 258 CA ARG A 40 -17.352 0.963 -3.610 1.00 18.80 C ATOM 259 C ARG A 40 -18.427 -0.088 -3.879 1.00 17.11 C ATOM 260 O ARG A 40 -19.615 0.265 -3.798 1.00 16.07 O ATOM 261 CB ARG A 40 -16.819 1.533 -4.934 1.00 18.89 C ATOM 262 CG ARG A 40 -17.903 1.887 -5.939 1.00 26.56 C ATOM 263 CD ARG A 40 -17.311 2.433 -7.227 1.00 28.34 C ATOM 264 NE ARG A 40 -18.315 2.543 -8.281 1.00 39.69 N ATOM 265 CZ ARG A 40 -18.079 3.047 -9.487 1.00 54.08 C ATOM 266 NH1 ARG A 40 -16.870 3.494 -9.796 1.00 48.08 N ATOM 267 NH2 ARG A 40 -19.053 3.106 -10.385 1.00 49.78 N ATOM 268 HE ARG A 40 -19.277 2.205 -8.074 1.00 0.00 H ATOM 269 HH12 ARG A 40 -16.687 3.888 -10.741 1.00 0.00 H ATOM 270 HH11 ARG A 40 -16.104 3.450 -9.094 1.00 0.00 H ATOM 271 HH22 ARG A 40 -18.867 3.501 -11.329 1.00 0.00 H ATOM 272 HH21 ARG A 40 -20.003 2.757 -10.145 1.00 0.00 H ATOM 273 H ARG A 40 -15.261 0.604 -3.161 1.00 0.00 H ATOM 274 N PRO A 41 -18.113 -1.352 -4.205 1.00 16.72 N ATOM 275 CA PRO A 41 -19.194 -2.319 -4.474 1.00 16.38 C ATOM 276 C PRO A 41 -20.219 -2.438 -3.359 1.00 17.98 C ATOM 277 O PRO A 41 -21.401 -2.673 -3.642 1.00 18.98 O ATOM 278 CB PRO A 41 -18.434 -3.634 -4.679 1.00 23.01 C ATOM 279 CG PRO A 41 -17.125 -3.212 -5.219 1.00 24.70 C ATOM 280 CD PRO A 41 -16.790 -1.935 -4.502 1.00 25.07 C ATOM 281 N LEU A 42 -19.813 -2.279 -2.101 1.00 14.63 N ATOM 282 CA LEU A 42 -20.766 -2.310 -0.998 1.00 12.93 C ATOM 283 C LEU A 42 -21.303 -0.920 -0.672 1.00 13.26 C ATOM 284 O LEU A 42 -22.517 -0.735 -0.544 1.00 15.50 O ATOM 285 CB LEU A 42 -20.118 -2.929 0.245 1.00 18.62 C ATOM 286 CG LEU A 42 -20.956 -2.885 1.526 1.00 20.94 C ATOM 287 CD1 LEU A 42 -22.284 -3.599 1.327 1.00 19.46 C ATOM 288 CD2 LEU A 42 -20.188 -3.488 2.693 1.00 18.56 C ATOM 289 H LEU A 42 -18.803 -2.131 -1.903 1.00 0.00 H ATOM 290 N ALA A 43 -20.411 0.065 -0.552 1.00 14.22 N ATOM 291 CA ALA A 43 -20.810 1.371 -0.040 1.00 17.02 C ATOM 292 C ALA A 43 -21.731 2.115 -1.001 1.00 15.55 C ATOM 293 O ALA A 43 -22.604 2.869 -0.556 1.00 17.72 O ATOM 294 CB ALA A 43 -19.571 2.207 0.274 1.00 17.65 C ATOM 295 H ALA A 43 -19.422 -0.100 -0.826 1.00 0.00 H ATOM 296 N GLU A 44 -21.563 1.923 -2.313 1.00 16.57 N ATOM 297 CA GLU A 44 -22.452 2.589 -3.258 1.00 16.29 C ATOM 298 C GLU A 44 -23.860 2.009 -3.222 1.00 20.41 C ATOM 299 O GLU A 44 -24.801 2.666 -3.681 1.00 16.87 O ATOM 300 CB GLU A 44 -21.882 2.516 -4.678 1.00 20.20 C ATOM 301 CG GLU A 44 -22.168 1.226 -5.432 1.00 23.15 C ATOM 302 CD GLU A 44 -21.643 1.267 -6.856 1.00 77.65 C ATOM 303 OE1 GLU A 44 -21.225 2.356 -7.303 1.00 46.64 O ATOM 304 OE2 GLU A 44 -21.644 0.214 -7.528 1.00 30.28 O ATOM 305 H GLU A 44 -20.803 1.302 -2.658 1.00 0.00 H ATOM 306 N LYS A 45 -24.027 0.802 -2.680 1.00 15.06 N ATOM 307 CA LYS A 45 -25.351 0.227 -2.495 1.00 14.00 C ATOM 308 C LYS A 45 -26.051 0.755 -1.251 1.00 11.42 C ATOM 309 O LYS A 45 -27.235 0.460 -1.052 1.00 15.78 O ATOM 310 CB LYS A 45 -25.255 -1.300 -2.429 1.00 15.75 C ATOM 311 CG LYS A 45 -24.819 -1.942 -3.736 1.00 19.00 C ATOM 312 CD LYS A 45 -24.723 -3.454 -3.610 1.00 20.53 C ATOM 313 CE LYS A 45 -24.401 -4.098 -4.950 1.00 23.32 C ATOM 314 NZ LYS A 45 -23.127 -3.577 -5.520 1.00 20.79 N ATOM 315 HZ1 LYS A 45 -23.206 -2.550 -5.661 1.00 0.00 H ATOM 316 HZ2 LYS A 45 -22.346 -3.779 -4.863 1.00 0.00 H ATOM 317 HZ3 LYS A 45 -22.942 -4.040 -6.433 1.00 0.00 H ATOM 318 H LYS A 45 -23.191 0.259 -2.383 1.00 0.00 H ATOM 319 N THR A 46 -25.353 1.524 -0.413 1.00 12.53 N ATOM 320 CA THR A 46 -25.952 2.154 0.751 1.00 12.64 C ATOM 321 C THR A 46 -25.907 3.675 0.706 1.00 17.04 C ATOM 322 O THR A 46 -26.496 4.317 1.582 1.00 15.54 O ATOM 323 CB THR A 46 -25.264 1.678 2.041 1.00 15.74 C ATOM 324 OG1 THR A 46 -23.875 2.030 2.006 1.00 16.32 O ATOM 325 CG2 THR A 46 -25.398 0.169 2.187 1.00 19.68 C ATOM 326 HG1 THR A 46 -23.787 3.013 1.930 1.00 0.00 H ATOM 327 H THR A 46 -24.342 1.678 -0.600 1.00 0.00 H ATOM 328 N GLY A 47 -25.238 4.264 -0.276 1.00 15.24 N ATOM 329 CA GLY A 47 -25.167 5.721 -0.385 1.00 13.09 C ATOM 330 C GLY A 47 -24.130 6.388 0.485 1.00 12.98 C ATOM 331 O GLY A 47 -23.351 7.214 0.000 1.00 15.28 O ATOM 332 H GLY A 47 -24.753 3.677 -0.984 1.00 0.00 H ATOM 333 N ILE A 48 -24.101 6.052 1.773 1.00 14.76 N ATOM 334 CA ILE A 48 -23.127 6.594 2.707 1.00 13.18 C ATOM 335 C ILE A 48 -22.407 5.437 3.383 1.00 11.80 C ATOM 336 O ILE A 48 -22.914 4.316 3.460 1.00 12.97 O ATOM 337 CB ILE A 48 -23.771 7.511 3.767 1.00 14.24 C ATOM 338 CG1 ILE A 48 -24.820 6.737 4.569 1.00 13.96 C ATOM 339 CG2 ILE A 48 -24.386 8.738 3.112 1.00 20.46 C ATOM 340 CD1 ILE A 48 -25.373 7.502 5.752 1.00 23.95 C ATOM 341 H ILE A 48 -24.805 5.373 2.126 1.00 0.00 H ATOM 342 N CYS A 49 -21.205 5.727 3.871 1.00 13.57 N ATOM 343 CA CYS A 49 -20.464 4.778 4.687 1.00 15.12 C ATOM 344 C CYS A 49 -19.604 5.556 5.670 1.00 15.96 C ATOM 345 O CYS A 49 -19.331 6.745 5.482 1.00 12.40 O ATOM 346 CB CYS A 49 -19.603 3.835 3.835 1.00 17.92 C ATOM 347 SG CYS A 49 -18.193 4.614 3.016 1.00 18.31 S ATOM 348 H CYS A 49 -20.784 6.655 3.664 1.00 0.00 H ATOM 349 N LYS A 50 -19.188 4.871 6.730 1.00 14.91 N ATOM 350 CA LYS A 50 -18.369 5.462 7.777 1.00 13.62 C ATOM 351 C LYS A 50 -17.007 4.783 7.790 1.00 16.08 C ATOM 352 O LYS A 50 -16.908 3.564 7.619 1.00 15.38 O ATOM 353 CB LYS A 50 -19.049 5.330 9.146 1.00 17.37 C ATOM 354 CG LYS A 50 -18.368 6.100 10.266 1.00 18.07 C ATOM 355 CD LYS A 50 -19.277 6.216 11.482 1.00 22.53 C ATOM 356 CE LYS A 50 -19.719 4.850 11.976 1.00 17.81 C ATOM 357 NZ LYS A 50 -20.668 4.949 13.120 1.00 22.77 N ATOM 358 HZ1 LYS A 50 -20.208 5.446 13.909 1.00 0.00 H ATOM 359 HZ2 LYS A 50 -21.514 5.476 12.823 1.00 0.00 H ATOM 360 HZ3 LYS A 50 -20.943 3.993 13.424 1.00 0.00 H ATOM 361 H LYS A 50 -19.459 3.871 6.815 1.00 0.00 H ATOM 362 N ILE A 51 -15.956 5.578 7.981 1.00 13.20 N ATOM 363 CA ILE A 51 -14.585 5.082 7.978 1.00 15.85 C ATOM 364 C ILE A 51 -13.920 5.512 9.278 1.00 17.47 C ATOM 365 O ILE A 51 -13.814 6.712 9.558 1.00 17.51 O ATOM 366 CB ILE A 51 -13.787 5.594 6.767 1.00 18.31 C ATOM 367 CG1 ILE A 51 -14.441 5.125 5.466 1.00 19.33 C ATOM 368 CG2 ILE A 51 -12.343 5.120 6.845 1.00 19.61 C ATOM 369 CD1 ILE A 51 -13.771 5.655 4.218 1.00 25.20 C ATOM 370 H ILE A 51 -16.120 6.593 8.139 1.00 0.00 H ATOM 371 N ARG A 52 -13.477 4.534 10.069 1.00 15.45 N ATOM 372 CA ARG A 52 -12.770 4.807 11.310 1.00 15.66 C ATOM 373 C ARG A 52 -11.276 4.672 11.078 1.00 21.37 C ATOM 374 O ARG A 52 -10.806 3.562 10.785 1.00 20.03 O ATOM 375 CB ARG A 52 -13.219 3.850 12.406 1.00 18.55 C ATOM 376 CG ARG A 52 -14.630 4.097 12.904 1.00 21.58 C ATOM 377 CD ARG A 52 -15.103 2.967 13.800 1.00 25.42 C ATOM 378 NE ARG A 52 -16.408 3.249 14.390 1.00 23.80 N ATOM 379 CZ ARG A 52 -17.244 2.316 14.831 1.00 28.01 C ATOM 380 NH1 ARG A 52 -16.918 1.034 14.738 1.00 33.35 N ATOM 381 NH2 ARG A 52 -18.412 2.663 15.355 1.00 33.28 N ATOM 382 HE ARG A 52 -16.702 4.243 14.470 1.00 0.00 H ATOM 383 HH12 ARG A 52 -17.574 0.304 15.084 1.00 0.00 H ATOM 384 HH11 ARG A 52 -16.007 0.758 14.319 1.00 0.00 H ATOM 385 HH22 ARG A 52 -19.065 1.931 15.700 1.00 0.00 H ATOM 386 HH21 ARG A 52 -18.675 3.667 15.421 1.00 0.00 H ATOM 387 H ARG A 52 -13.642 3.546 9.790 1.00 0.00 H ATOM 388 N PRO A 53 -10.501 5.747 11.188 1.00 16.10 N ATOM 389 CA PRO A 53 -9.050 5.644 11.002 1.00 16.90 C ATOM 390 C PRO A 53 -8.427 4.791 12.091 1.00 20.19 C ATOM 391 O PRO A 53 -9.066 4.522 13.120 1.00 23.59 O ATOM 392 CB PRO A 53 -8.576 7.104 11.100 1.00 23.22 C ATOM 393 CG PRO A 53 -9.801 7.930 10.856 1.00 25.76 C ATOM 394 CD PRO A 53 -10.934 7.134 11.420 1.00 19.98 C ATOM 395 N PRO A 54 -7.189 4.332 11.899 1.00 26.91 N ATOM 396 CA PRO A 54 -6.498 3.620 12.979 1.00 26.92 C ATOM 397 C PRO A 54 -6.445 4.465 14.243 1.00 27.25 C ATOM 398 O PRO A 54 -6.384 5.695 14.193 1.00 26.95 O ATOM 399 CB PRO A 54 -5.099 3.375 12.403 1.00 26.39 C ATOM 400 CG PRO A 54 -5.311 3.348 10.926 1.00 34.78 C ATOM 401 CD PRO A 54 -6.404 4.345 10.652 1.00 30.12 C ATOM 402 N LYS A 55 -6.474 3.779 15.389 1.00 32.83 N ATOM 403 CA LYS A 55 -6.647 4.464 16.668 1.00 32.91 C ATOM 404 C LYS A 55 -5.533 5.467 16.946 1.00 19.94 C ATOM 405 O LYS A 55 -5.754 6.451 17.660 1.00 31.75 O ATOM 406 CB LYS A 55 -6.740 3.436 17.797 1.00 41.55 C ATOM 407 CG LYS A 55 -5.807 2.249 17.633 1.00 89.12 C ATOM 408 CD LYS A 55 -6.354 1.020 18.343 1.00 94.32 C ATOM 409 CE LYS A 55 -5.615 -0.239 17.920 1.00118.75 C ATOM 410 NZ LYS A 55 -6.285 -1.470 18.422 1.00 90.75 N ATOM 411 HZ1 LYS A 55 -6.320 -1.445 19.461 1.00 0.00 H ATOM 412 HZ2 LYS A 55 -7.252 -1.516 18.043 1.00 0.00 H ATOM 413 HZ3 LYS A 55 -5.750 -2.306 18.112 1.00 0.00 H ATOM 414 H LYS A 55 -6.372 2.744 15.371 1.00 0.00 H ATOM 415 N ASP A 56 -4.341 5.249 16.391 1.00 33.75 N ATOM 416 CA ASP A 56 -3.239 6.180 16.600 1.00 41.97 C ATOM 417 C ASP A 56 -3.304 7.405 15.695 1.00 63.28 C ATOM 418 O ASP A 56 -2.553 8.359 15.923 1.00 35.47 O ATOM 419 CB ASP A 56 -1.898 5.468 16.397 1.00 92.38 C ATOM 420 CG ASP A 56 -1.512 4.604 17.582 1.00101.85 C ATOM 421 OD1 ASP A 56 -2.302 4.527 18.547 1.00 63.40 O ATOM 422 OD2 ASP A 56 -0.416 4.007 17.550 1.00103.64 O ATOM 423 H ASP A 56 -4.195 4.405 15.802 1.00 0.00 H ATOM 424 N TRP A 57 -4.173 7.409 14.687 1.00 31.41 N ATOM 425 CA TRP A 57 -4.282 8.539 13.765 1.00 23.08 C ATOM 426 C TRP A 57 -5.149 9.609 14.417 1.00 23.92 C ATOM 427 O TRP A 57 -6.379 9.516 14.419 1.00 27.25 O ATOM 428 CB TRP A 57 -4.861 8.087 12.429 1.00 21.72 C ATOM 429 CG TRP A 57 -4.605 9.049 11.310 1.00 25.01 C ATOM 430 CD1 TRP A 57 -3.455 9.171 10.586 1.00 31.44 C ATOM 431 CD2 TRP A 57 -5.517 10.021 10.783 1.00 23.76 C ATOM 432 NE1 TRP A 57 -3.592 10.160 9.643 1.00 26.37 N ATOM 433 CE2 TRP A 57 -4.849 10.697 9.742 1.00 23.30 C ATOM 434 CE3 TRP A 57 -6.831 10.387 11.089 1.00 23.51 C ATOM 435 CZ2 TRP A 57 -5.450 11.717 9.007 1.00 22.15 C ATOM 436 CZ3 TRP A 57 -7.427 11.401 10.357 1.00 20.71 C ATOM 437 CH2 TRP A 57 -6.736 12.053 9.328 1.00 22.52 C ATOM 438 HE1 TRP A 57 -2.861 10.454 8.964 1.00 0.00 H ATOM 439 H TRP A 57 -4.792 6.585 14.551 1.00 0.00 H ATOM 440 N GLN A 58 -4.505 10.631 14.981 1.00 26.22 N ATOM 441 CA GLN A 58 -5.199 11.682 15.723 1.00 21.86 C ATOM 442 C GLN A 58 -4.631 13.034 15.317 1.00 28.35 C ATOM 443 O GLN A 58 -3.674 13.531 15.924 1.00 28.27 O ATOM 444 CB GLN A 58 -5.071 11.472 17.233 1.00 28.38 C ATOM 445 CG GLN A 58 -5.493 10.091 17.710 1.00 38.44 C ATOM 446 CD GLN A 58 -5.131 9.839 19.159 1.00 78.47 C ATOM 447 OE1 GLN A 58 -4.904 10.775 19.925 1.00 76.72 O ATOM 448 NE2 GLN A 58 -5.068 8.569 19.541 1.00 74.57 N ATOM 449 HE22 GLN A 58 -5.268 7.810 18.859 1.00 0.00 H ATOM 450 HE21 GLN A 58 -4.819 8.333 20.523 1.00 0.00 H ATOM 451 H GLN A 58 -3.470 10.682 14.890 1.00 0.00 H ATOM 452 N PRO A 59 -5.198 13.662 14.290 1.00 26.95 N ATOM 453 CA PRO A 59 -4.710 14.976 13.860 1.00 21.97 C ATOM 454 C PRO A 59 -5.061 16.049 14.874 1.00 29.17 C ATOM 455 O PRO A 59 -6.133 16.003 15.497 1.00 31.03 O ATOM 456 CB PRO A 59 -5.444 15.207 12.530 1.00 25.87 C ATOM 457 CG PRO A 59 -6.688 14.390 12.649 1.00 27.68 C ATOM 458 CD PRO A 59 -6.296 13.171 13.439 1.00 24.95 C ATOM 459 N PRO A 60 -4.183 17.029 15.072 1.00 22.69 N ATOM 460 CA PRO A 60 -4.508 18.132 15.979 1.00 26.25 C ATOM 461 C PRO A 60 -5.490 19.097 15.339 1.00 30.74 C ATOM 462 O PRO A 60 -5.566 19.227 14.115 1.00 47.01 O ATOM 463 CB PRO A 60 -3.151 18.800 16.220 1.00 22.46 C ATOM 464 CG PRO A 60 -2.396 18.533 14.959 1.00 40.90 C ATOM 465 CD PRO A 60 -2.834 17.165 14.496 1.00 31.94 C ATOM 466 N PHE A 61 -6.254 19.776 16.189 1.00 22.34 N ATOM 467 CA PHE A 61 -7.182 20.798 15.724 1.00 20.04 C ATOM 468 C PHE A 61 -6.409 22.086 15.476 1.00 31.48 C ATOM 469 O PHE A 61 -5.784 22.629 16.394 1.00 27.49 O ATOM 470 CB PHE A 61 -8.299 21.012 16.741 1.00 18.20 C ATOM 471 CG PHE A 61 -9.412 21.882 16.240 1.00 19.36 C ATOM 472 CD1 PHE A 61 -10.171 21.494 15.147 1.00 20.50 C ATOM 473 CD2 PHE A 61 -9.706 23.083 16.862 1.00 21.48 C ATOM 474 CE1 PHE A 61 -11.198 22.291 14.681 1.00 21.00 C ATOM 475 CE2 PHE A 61 -10.734 23.884 16.402 1.00 24.43 C ATOM 476 CZ PHE A 61 -11.481 23.487 15.310 1.00 22.85 C ATOM 477 H PHE A 61 -6.188 19.573 17.207 1.00 0.00 H ATOM 478 N ALA A 62 -6.450 22.577 14.236 1.00 24.15 N ATOM 479 CA ALA A 62 -5.547 23.628 13.785 1.00 24.08 C ATOM 480 C ALA A 62 -6.264 24.927 13.435 1.00 34.90 C ATOM 481 O ALA A 62 -5.683 25.784 12.762 1.00 40.67 O ATOM 482 CB ALA A 62 -4.735 23.140 12.584 1.00 24.29 C ATOM 483 H ALA A 62 -7.151 22.196 13.568 1.00 0.00 H ATOM 484 N CYS A 63 -7.508 25.095 13.870 1.00 24.62 N ATOM 485 CA CYS A 63 -8.208 26.349 13.639 1.00 31.08 C ATOM 486 C CYS A 63 -7.704 27.427 14.591 1.00 29.85 C ATOM 487 O CYS A 63 -7.221 27.142 15.690 1.00 39.58 O ATOM 488 CB CYS A 63 -9.717 26.170 13.810 1.00 25.24 C ATOM 489 SG CYS A 63 -10.531 25.334 12.432 1.00 30.54 S ATOM 490 H CYS A 63 -7.985 24.324 14.380 1.00 0.00 H ATOM 491 N GLU A 64 -7.814 28.678 14.149 1.00 33.10 N ATOM 492 CA GLU A 64 -7.460 29.831 14.974 1.00 35.49 C ATOM 493 C GLU A 64 -8.606 30.071 15.948 1.00 28.12 C ATOM 494 O GLU A 64 -9.517 30.860 15.693 1.00 45.42 O ATOM 495 CB GLU A 64 -7.187 31.053 14.106 1.00 35.97 C ATOM 496 H GLU A 64 -8.164 28.840 13.183 1.00 0.00 H ATOM 497 N VAL A 65 -8.553 29.374 17.085 1.00 36.87 N ATOM 498 CA VAL A 65 -9.668 29.388 18.028 1.00 34.35 C ATOM 499 C VAL A 65 -9.841 30.769 18.649 1.00 67.15 C ATOM 500 O VAL A 65 -10.969 31.218 18.889 1.00 46.39 O ATOM 501 CB VAL A 65 -9.460 28.303 19.102 1.00 42.39 C ATOM 502 CG1 VAL A 65 -10.578 28.344 20.131 1.00 52.14 C ATOM 503 CG2 VAL A 65 -9.378 26.929 18.453 1.00 50.74 C ATOM 504 H VAL A 65 -7.705 28.813 17.303 1.00 0.00 H ATOM 505 N LYS A 66 -8.734 31.470 18.909 1.00 43.06 N ATOM 506 CA LYS A 66 -8.815 32.760 19.589 1.00 95.76 C ATOM 507 C LYS A 66 -9.611 33.772 18.773 1.00 54.33 C ATOM 508 O LYS A 66 -10.350 34.591 19.335 1.00 75.85 O ATOM 509 CB LYS A 66 -7.410 33.290 19.875 1.00 68.75 C ATOM 510 H LYS A 66 -7.807 31.094 18.625 1.00 0.00 H ATOM 511 N SER A 67 -9.484 33.727 17.449 1.00 45.39 N ATOM 512 CA SER A 67 -10.149 34.676 16.569 1.00 41.11 C ATOM 513 C SER A 67 -11.405 34.113 15.919 1.00 36.09 C ATOM 514 O SER A 67 -12.109 34.853 15.224 1.00 34.63 O ATOM 515 CB SER A 67 -9.177 35.151 15.483 1.00 60.15 C ATOM 516 OG SER A 67 -8.694 34.060 14.718 1.00 63.96 O ATOM 517 HG SER A 67 -8.070 34.394 14.026 1.00 0.00 H ATOM 518 H SER A 67 -8.888 32.986 17.028 1.00 0.00 H ATOM 519 N PHE A 68 -11.708 32.831 16.130 1.00 27.36 N ATOM 520 CA PHE A 68 -12.850 32.196 15.483 1.00 25.95 C ATOM 521 C PHE A 68 -14.161 32.826 15.936 1.00 29.42 C ATOM 522 O PHE A 68 -14.588 32.637 17.080 1.00 32.74 O ATOM 523 CB PHE A 68 -12.858 30.691 15.767 1.00 25.75 C ATOM 524 CG PHE A 68 -13.621 29.883 14.752 1.00 24.93 C ATOM 525 CD1 PHE A 68 -15.007 29.870 14.753 1.00 24.46 C ATOM 526 CD2 PHE A 68 -12.951 29.131 13.803 1.00 25.47 C ATOM 527 CE1 PHE A 68 -15.708 29.127 13.822 1.00 24.61 C ATOM 528 CE2 PHE A 68 -13.646 28.385 12.870 1.00 26.40 C ATOM 529 CZ PHE A 68 -15.026 28.383 12.881 1.00 25.17 C ATOM 530 H PHE A 68 -11.114 32.270 16.773 1.00 0.00 H ATOM 531 N ARG A 69 -14.804 33.578 15.044 1.00 25.37 N ATOM 532 CA ARG A 69 -16.080 34.221 15.320 1.00 24.62 C ATOM 533 C ARG A 69 -17.015 34.009 14.139 1.00 39.36 C ATOM 534 O ARG A 69 -16.578 34.005 12.985 1.00 31.61 O ATOM 535 CB ARG A 69 -15.905 35.721 15.591 1.00 29.86 C ATOM 536 H ARG A 69 -14.374 33.712 14.107 1.00 0.00 H ATOM 537 N PHE A 70 -18.301 33.833 14.430 1.00 27.31 N ATOM 538 CA PHE A 70 -19.273 33.574 13.378 1.00 26.91 C ATOM 539 C PHE A 70 -20.667 33.907 13.887 1.00 19.40 C ATOM 540 O PHE A 70 -20.932 33.887 15.092 1.00 23.99 O ATOM 541 CB PHE A 70 -19.209 32.117 12.900 1.00 22.68 C ATOM 542 CG PHE A 70 -19.586 31.113 13.956 1.00 21.75 C ATOM 543 CD1 PHE A 70 -18.667 30.713 14.913 1.00 24.41 C ATOM 544 CD2 PHE A 70 -20.858 30.561 13.984 1.00 22.90 C ATOM 545 CE1 PHE A 70 -19.011 29.789 15.884 1.00 27.07 C ATOM 546 CE2 PHE A 70 -21.207 29.636 14.952 1.00 23.17 C ATOM 547 CZ PHE A 70 -20.282 29.249 15.902 1.00 22.81 C ATOM 548 H PHE A 70 -18.615 33.881 15.420 1.00 0.00 H ATOM 549 N THR A 71 -21.552 34.218 12.944 1.00 24.78 N ATOM 550 CA THR A 71 -22.968 34.408 13.233 1.00 20.08 C ATOM 551 C THR A 71 -23.739 33.232 12.654 1.00 20.20 C ATOM 552 O THR A 71 -23.884 33.139 11.424 1.00 20.31 O ATOM 553 CB THR A 71 -23.481 35.726 12.648 1.00 37.61 C ATOM 554 OG1 THR A 71 -22.831 36.826 13.297 1.00 34.09 O ATOM 555 CG2 THR A 71 -24.985 35.848 12.843 1.00 42.97 C ATOM 556 HG1 THR A 71 -23.165 37.677 12.916 1.00 0.00 H ATOM 557 H THR A 71 -21.221 34.330 11.964 1.00 0.00 H ATOM 558 N PRO A 72 -24.239 32.315 13.477 1.00 20.55 N ATOM 559 CA PRO A 72 -24.898 31.122 12.940 1.00 16.32 C ATOM 560 C PRO A 72 -26.260 31.450 12.350 1.00 22.85 C ATOM 561 O PRO A 72 -26.870 32.482 12.641 1.00 23.55 O ATOM 562 CB PRO A 72 -25.031 30.214 14.166 1.00 17.06 C ATOM 563 CG PRO A 72 -25.122 31.167 15.310 1.00 19.51 C ATOM 564 CD PRO A 72 -24.245 32.339 14.949 1.00 24.76 C ATOM 565 N ARG A 73 -26.732 30.546 11.497 1.00 21.66 N ATOM 566 CA ARG A 73 -28.061 30.670 10.921 1.00 17.52 C ATOM 567 C ARG A 73 -29.087 30.021 11.842 1.00 19.45 C ATOM 568 O ARG A 73 -28.791 29.064 12.561 1.00 20.67 O ATOM 569 CB ARG A 73 -28.123 30.036 9.530 1.00 21.45 C ATOM 570 CG ARG A 73 -28.103 28.520 9.521 1.00 26.88 C ATOM 571 CD ARG A 73 -28.096 27.994 8.099 1.00 64.50 C ATOM 572 NE ARG A 73 -26.910 28.430 7.368 1.00 50.97 N ATOM 573 CZ ARG A 73 -26.781 28.367 6.047 1.00 51.56 C ATOM 574 NH1 ARG A 73 -27.772 27.893 5.305 1.00 27.14 N ATOM 575 NH2 ARG A 73 -25.665 28.784 5.467 1.00 34.66 N ATOM 576 HE ARG A 73 -26.115 28.815 7.917 1.00 0.00 H ATOM 577 HH12 ARG A 73 -27.670 27.844 4.271 1.00 0.00 H ATOM 578 HH11 ARG A 73 -28.651 27.570 5.757 1.00 0.00 H ATOM 579 HH22 ARG A 73 -25.566 28.734 4.433 1.00 0.00 H ATOM 580 HH21 ARG A 73 -24.888 29.162 6.046 1.00 0.00 H ATOM 581 H ARG A 73 -26.138 29.733 11.236 1.00 0.00 H ATOM 582 N VAL A 74 -30.299 30.563 11.817 1.00 19.34 N ATOM 583 CA VAL A 74 -31.380 30.142 12.701 1.00 18.07 C ATOM 584 C VAL A 74 -32.227 29.102 11.980 1.00 16.71 C ATOM 585 O VAL A 74 -32.579 29.281 10.807 1.00 21.04 O ATOM 586 CB VAL A 74 -32.229 31.349 13.135 1.00 25.56 C ATOM 587 CG1 VAL A 74 -33.509 30.901 13.806 1.00 31.89 C ATOM 588 CG2 VAL A 74 -31.428 32.251 14.066 1.00 29.46 C ATOM 589 H VAL A 74 -30.486 31.325 11.134 1.00 0.00 H ATOM 590 N GLN A 75 -32.560 28.019 12.681 1.00 17.76 N ATOM 591 CA GLN A 75 -33.332 26.919 12.113 1.00 17.57 C ATOM 592 C GLN A 75 -34.555 26.656 12.978 1.00 14.84 C ATOM 593 O GLN A 75 -34.422 26.309 14.156 1.00 18.27 O ATOM 594 CB GLN A 75 -32.481 25.651 11.998 1.00 16.77 C ATOM 595 CG GLN A 75 -31.375 25.730 10.959 1.00 16.18 C ATOM 596 CD GLN A 75 -30.635 24.415 10.799 1.00 17.72 C ATOM 597 OE1 GLN A 75 -30.430 23.682 11.767 1.00 18.16 O ATOM 598 NE2 GLN A 75 -30.236 24.106 9.569 1.00 23.47 N ATOM 599 HE22 GLN A 75 -30.431 24.756 8.781 1.00 0.00 H ATOM 600 HE21 GLN A 75 -29.729 23.215 9.395 1.00 0.00 H ATOM 601 H GLN A 75 -32.257 27.955 13.674 1.00 0.00 H ATOM 602 N ARG A 76 -35.740 26.820 12.395 1.00 18.93 N ATOM 603 CA ARG A 76 -36.987 26.425 13.036 1.00 24.91 C ATOM 604 C ARG A 76 -37.345 25.023 12.558 1.00 19.43 C ATOM 605 O ARG A 76 -37.549 24.806 11.359 1.00 22.40 O ATOM 606 CB ARG A 76 -38.103 27.418 12.714 1.00 33.12 C ATOM 607 CG ARG A 76 -39.487 26.974 13.157 1.00 30.24 C ATOM 608 CD ARG A 76 -40.548 27.959 12.692 1.00 47.28 C ATOM 609 NE ARG A 76 -40.953 28.885 13.745 1.00 78.51 N ATOM 610 CZ ARG A 76 -42.149 28.878 14.327 1.00105.83 C ATOM 611 NH1 ARG A 76 -43.066 27.996 13.951 1.00 79.87 N ATOM 612 NH2 ARG A 76 -42.432 29.757 15.278 1.00118.92 N ATOM 613 HE ARG A 76 -40.262 29.596 14.060 1.00 0.00 H ATOM 614 HH12 ARG A 76 -44.001 27.991 14.407 1.00 0.00 H ATOM 615 HH11 ARG A 76 -42.850 27.309 13.201 1.00 0.00 H ATOM 616 HH22 ARG A 76 -43.368 29.749 15.731 1.00 0.00 H ATOM 617 HH21 ARG A 76 -41.718 30.454 15.571 1.00 0.00 H ATOM 618 H ARG A 76 -35.777 27.246 11.447 1.00 0.00 H ATOM 619 N LEU A 77 -37.412 24.074 13.496 1.00 20.74 N ATOM 620 CA LEU A 77 -37.518 22.666 13.122 1.00 21.28 C ATOM 621 C LEU A 77 -38.819 22.368 12.385 1.00 22.62 C ATOM 622 O LEU A 77 -38.840 21.546 11.462 1.00 23.34 O ATOM 623 CB LEU A 77 -37.391 21.781 14.364 1.00 16.56 C ATOM 624 CG LEU A 77 -35.984 21.310 14.753 1.00 25.88 C ATOM 625 CD1 LEU A 77 -35.074 22.477 15.113 1.00 24.19 C ATOM 626 CD2 LEU A 77 -36.045 20.306 15.896 1.00 25.33 C ATOM 627 H LEU A 77 -37.388 24.340 14.501 1.00 0.00 H ATOM 628 N ASN A 78 -39.916 23.021 12.774 1.00 20.12 N ATOM 629 CA ASN A 78 -41.234 22.718 12.228 1.00 23.79 C ATOM 630 C ASN A 78 -41.704 23.752 11.208 1.00 25.13 C ATOM 631 O ASN A 78 -42.913 23.945 11.042 1.00 26.86 O ATOM 632 CB ASN A 78 -42.259 22.591 13.357 1.00 22.70 C ATOM 633 CG ASN A 78 -42.438 23.885 14.142 1.00 27.20 C ATOM 634 OD1 ASN A 78 -41.821 24.906 13.841 1.00 28.60 O ATOM 635 ND2 ASN A 78 -43.298 23.843 15.154 1.00 33.30 N ATOM 636 HD22 ASN A 78 -43.799 22.959 15.374 1.00 0.00 H ATOM 637 HD21 ASN A 78 -43.470 24.695 15.726 1.00 0.00 H ATOM 638 H ASN A 78 -39.828 23.770 13.490 1.00 0.00 H ATOM 639 N GLU A 79 -40.773 24.414 10.514 1.00 24.76 N ATOM 640 CA GLU A 79 -41.154 25.534 9.657 1.00 28.99 C ATOM 641 C GLU A 79 -42.052 25.088 8.507 1.00 32.95 C ATOM 642 O GLU A 79 -42.963 25.821 8.106 1.00 32.97 O ATOM 643 CB GLU A 79 -39.907 26.244 9.125 1.00 26.48 C ATOM 644 CG GLU A 79 -39.018 25.398 8.227 1.00 31.63 C ATOM 645 CD GLU A 79 -37.885 26.198 7.616 1.00 69.02 C ATOM 646 OE1 GLU A 79 -37.828 27.423 7.852 1.00 28.22 O ATOM 647 OE2 GLU A 79 -37.052 25.603 6.900 1.00 39.73 O ATOM 648 H GLU A 79 -39.775 24.131 10.584 1.00 0.00 H ATOM 649 N LEU A 80 -41.819 23.890 7.967 1.00 22.69 N ATOM 650 CA LEU A 80 -42.650 23.418 6.863 1.00 21.01 C ATOM 651 C LEU A 80 -44.047 23.043 7.341 1.00 44.71 C ATOM 652 O LEU A 80 -45.044 23.386 6.694 1.00 40.82 O ATOM 653 CB LEU A 80 -41.987 22.231 6.167 1.00 29.02 C ATOM 654 CG LEU A 80 -40.831 22.546 5.219 1.00 41.50 C ATOM 655 CD1 LEU A 80 -40.505 21.323 4.384 1.00 48.64 C ATOM 656 CD2 LEU A 80 -41.167 23.734 4.329 1.00 44.52 C ATOM 657 H LEU A 80 -41.048 23.295 8.331 1.00 0.00 H ATOM 658 N GLU A 81 -44.141 22.336 8.469 1.00 28.20 N ATOM 659 CA GLU A 81 -45.450 21.974 9.003 1.00 31.42 C ATOM 660 C GLU A 81 -46.224 23.206 9.458 1.00 42.34 C ATOM 661 O GLU A 81 -47.446 23.279 9.282 1.00 48.24 O ATOM 662 CB GLU A 81 -45.295 20.988 10.161 1.00 35.84 C ATOM 663 CG GLU A 81 -44.877 19.590 9.745 1.00 69.24 C ATOM 664 CD GLU A 81 -45.850 18.959 8.770 1.00 99.12 C ATOM 665 OE1 GLU A 81 -45.419 18.564 7.667 1.00 83.97 O ATOM 666 OE2 GLU A 81 -47.050 18.867 9.105 1.00109.49 O ATOM 667 H GLU A 81 -43.278 22.042 8.969 1.00 0.00 H ATOM 668 N ALA A 82 -45.529 24.186 10.036 1.00 29.07 N ATOM 669 CA ALA A 82 -46.210 25.341 10.612 1.00 32.19 C ATOM 670 C ALA A 82 -46.547 26.385 9.554 1.00 80.35 C ATOM 671 O ALA A 82 -47.702 26.808 9.436 1.00 47.14 O ATOM 672 CB ALA A 82 -45.351 25.958 11.717 1.00 43.55 C ATOM 673 H ALA A 82 -44.491 24.127 10.077 1.00 0.00 H ATOM 674 N MET A 83 -45.552 26.813 8.775 1.00115.77 N ATOM 675 CA MET A 83 -45.752 27.936 7.864 1.00 97.63 C ATOM 676 C MET A 83 -46.395 27.496 6.553 1.00123.39 C ATOM 677 O MET A 83 -47.451 28.008 6.165 1.00119.32 O ATOM 678 CB MET A 83 -44.418 28.638 7.597 1.00 40.57 C ATOM 679 CG MET A 83 -43.712 29.133 8.847 1.00 40.68 C ATOM 680 SD MET A 83 -42.197 30.036 8.477 1.00 55.44 S ATOM 681 CE MET A 83 -41.625 30.431 10.128 1.00 50.90 C ATOM 682 H MET A 83 -44.626 26.342 8.817 1.00 0.00 H ATOM 683 N THR A 84 -45.768 26.549 5.852 1.00126.33 N ATOM 684 CA THR A 84 -46.224 26.198 4.511 1.00123.16 C ATOM 685 C THR A 84 -47.493 25.353 4.542 1.00140.41 C ATOM 686 O THR A 84 -48.386 25.542 3.708 1.00127.41 O ATOM 687 CB THR A 84 -45.117 25.463 3.755 1.00 32.66 C ATOM 688 OG1 THR A 84 -43.870 26.138 3.959 1.00 42.08 O ATOM 689 CG2 THR A 84 -45.424 25.440 2.269 1.00 32.78 C ATOM 690 HG1 THR A 84 -43.154 25.661 3.469 1.00 0.00 H ATOM 691 H THR A 84 -44.949 26.058 6.264 1.00 0.00 H ATOM 692 N ARG A 85 -47.592 24.420 5.483 1.00 75.38 N ATOM 693 CA ARG A 85 -48.763 23.555 5.573 1.00 85.32 C ATOM 694 C ARG A 85 -49.824 24.159 6.487 1.00 83.09 C ATOM 695 O ARG A 85 -49.586 25.169 7.149 1.00 82.84 O ATOM 696 CB ARG A 85 -48.364 22.172 6.065 1.00 60.25 C ATOM 697 H ARG A 85 -46.819 24.304 6.169 1.00 0.00 H TER 698 ARG A 85 ATOM 699 N ARG A 359 -27.222 36.371 17.393 1.00 55.03 N ATOM 700 CA ARG A 359 -25.992 36.678 18.112 1.00 46.25 C ATOM 701 C ARG A 359 -24.760 36.266 17.317 1.00 64.08 C ATOM 702 O ARG A 359 -24.788 35.284 16.575 1.00 42.31 O ATOM 703 CB ARG A 359 -25.975 35.977 19.474 1.00 49.72 C ATOM 704 CG ARG A 359 -25.850 36.915 20.664 1.00 94.32 C ATOM 705 CD ARG A 359 -25.213 36.216 21.857 1.00 66.95 C ATOM 706 NE ARG A 359 -23.785 35.983 21.652 1.00 73.35 N ATOM 707 CZ ARG A 359 -22.986 35.405 22.543 1.00 86.47 C ATOM 708 NH1 ARG A 359 -23.471 34.995 23.707 1.00 64.65 N ATOM 709 NH2 ARG A 359 -21.699 35.236 22.271 1.00 49.69 N ATOM 710 HE ARG A 359 -23.367 36.289 20.750 1.00 0.00 H ATOM 711 HH12 ARG A 359 -22.843 34.543 24.402 1.00 0.00 H ATOM 712 HH11 ARG A 359 -24.479 35.125 23.925 1.00 0.00 H ATOM 713 HH22 ARG A 359 -21.075 34.784 22.969 1.00 0.00 H ATOM 714 HH21 ARG A 359 -21.314 35.556 21.359 1.00 0.00 H ATOM 715 HN3 ARG A 359 -27.272 35.347 17.216 1.00 0.00 H ATOM 716 HN2 ARG A 359 -27.229 36.882 16.487 1.00 0.00 H ATOM 717 HN1 ARG A 359 -28.039 36.665 17.965 1.00 0.00 H ATOM 718 N GLU A 360 -23.681 37.028 17.469 1.00 39.81 N ATOM 719 CA GLU A 360 -22.367 36.585 17.032 1.00 34.37 C ATOM 720 C GLU A 360 -21.711 35.816 18.168 1.00 41.57 C ATOM 721 O GLU A 360 -21.760 36.237 19.328 1.00 37.14 O ATOM 722 CB GLU A 360 -21.487 37.766 16.620 1.00 35.94 C ATOM 723 CG GLU A 360 -20.120 37.350 16.089 1.00 33.25 C ATOM 724 CD GLU A 360 -19.168 38.519 15.928 1.00 89.32 C ATOM 725 OE1 GLU A 360 -19.254 39.474 16.728 1.00 84.77 O ATOM 726 OE2 GLU A 360 -18.334 38.484 15.000 1.00 89.03 O ATOM 727 H GLU A 360 -23.779 37.964 17.911 1.00 0.00 H ATOM 728 N TYR A 361 -21.109 34.680 17.835 1.00 28.63 N ATOM 729 CA TYR A 361 -20.499 33.815 18.829 1.00 21.83 C ATOM 730 C TYR A 361 -19.011 33.650 18.563 1.00 24.86 C ATOM 731 O TYR A 361 -18.524 33.853 17.448 1.00 24.61 O ATOM 732 CB TYR A 361 -21.139 32.418 18.839 1.00 20.43 C ATOM 733 CG TYR A 361 -22.586 32.364 19.261 1.00 21.95 C ATOM 734 CD1 TYR A 361 -22.939 32.177 20.591 1.00 24.01 C ATOM 735 CD2 TYR A 361 -23.601 32.468 18.324 1.00 26.58 C ATOM 736 CE1 TYR A 361 -24.265 32.112 20.976 1.00 22.12 C ATOM 737 CE2 TYR A 361 -24.926 32.404 18.697 1.00 22.98 C ATOM 738 CZ TYR A 361 -25.254 32.226 20.023 1.00 28.83 C ATOM 739 OH TYR A 361 -26.577 32.162 20.395 1.00 25.40 O ATOM 740 HH TYR A 361 -27.012 31.402 19.933 1.00 0.00 H ATOM 741 H TYR A 361 -21.073 34.402 16.833 1.00 0.00 H ATOM 742 N THR A 362 -18.298 33.282 19.619 1.00 27.07 N ATOM 743 CA THR A 362 -17.037 32.577 19.485 1.00 24.32 C ATOM 744 C THR A 362 -17.312 31.079 19.588 1.00 23.80 C ATOM 745 O THR A 362 -18.429 30.650 19.888 1.00 23.45 O ATOM 746 CB THR A 362 -16.045 33.020 20.560 1.00 29.06 C ATOM 747 OG1 THR A 362 -16.532 32.635 21.852 1.00 26.34 O ATOM 748 CG2 THR A 362 -15.860 34.530 20.525 1.00 31.61 C ATOM 749 HG1 THR A 362 -15.887 32.923 22.546 1.00 0.00 H ATOM 750 H THR A 362 -18.653 33.505 20.571 1.00 0.00 H ATOM 751 N LEU A 363 -16.282 30.272 19.324 1.00 25.80 N ATOM 752 CA LEU A 363 -16.427 28.833 19.522 1.00 26.83 C ATOM 753 C LEU A 363 -16.783 28.517 20.969 1.00 28.98 C ATOM 754 O LEU A 363 -17.564 27.597 21.239 1.00 23.95 O ATOM 755 CB LEU A 363 -15.145 28.108 19.115 1.00 30.13 C ATOM 756 CG LEU A 363 -14.960 27.798 17.629 1.00 29.27 C ATOM 757 CD1 LEU A 363 -13.618 27.125 17.381 1.00 33.98 C ATOM 758 CD2 LEU A 363 -16.099 26.929 17.114 1.00 29.21 C ATOM 759 H LEU A 363 -15.383 30.666 18.980 1.00 0.00 H ATOM 760 N GLN A 364 -16.233 29.285 21.911 1.00 30.34 N ATOM 761 CA GLN A 364 -16.509 29.052 23.324 1.00 29.93 C ATOM 762 C GLN A 364 -17.941 29.436 23.679 1.00 20.86 C ATOM 763 O GLN A 364 -18.658 28.664 24.326 1.00 27.74 O ATOM 764 CB GLN A 364 -15.514 29.833 24.181 1.00 26.21 C ATOM 765 CG GLN A 364 -15.830 29.821 25.664 1.00 49.96 C ATOM 766 CD GLN A 364 -14.955 30.775 26.450 1.00106.02 C ATOM 767 OE1 GLN A 364 -13.820 31.056 26.063 1.00 84.70 O ATOM 768 NE2 GLN A 364 -15.482 31.286 27.556 1.00 81.35 N ATOM 769 HE22 GLN A 364 -16.445 31.020 27.844 1.00 0.00 H ATOM 770 HE21 GLN A 364 -14.932 31.953 28.134 1.00 0.00 H ATOM 771 H GLN A 364 -15.598 30.061 21.634 1.00 0.00 H ATOM 772 N SER A 365 -18.375 30.632 23.270 1.00 24.87 N ATOM 773 CA SER A 365 -19.709 31.093 23.640 1.00 26.63 C ATOM 774 C SER A 365 -20.799 30.299 22.933 1.00 24.62 C ATOM 775 O SER A 365 -21.884 30.108 23.494 1.00 23.61 O ATOM 776 CB SER A 365 -19.857 32.586 23.342 1.00 29.91 C ATOM 777 OG SER A 365 -19.793 32.846 21.952 1.00 25.14 O ATOM 778 HG SER A 365 -18.919 32.541 21.600 1.00 0.00 H ATOM 779 H SER A 365 -17.761 31.235 22.687 1.00 0.00 H ATOM 780 N PHE A 366 -20.539 29.832 21.709 1.00 17.79 N ATOM 781 CA PHE A 366 -21.502 28.962 21.040 1.00 16.86 C ATOM 782 C PHE A 366 -21.610 27.622 21.756 1.00 17.86 C ATOM 783 O PHE A 366 -22.713 27.088 21.923 1.00 16.25 O ATOM 784 CB PHE A 366 -21.110 28.760 19.575 1.00 16.31 C ATOM 785 CG PHE A 366 -22.124 27.988 18.773 1.00 15.83 C ATOM 786 CD1 PHE A 366 -22.051 26.607 18.678 1.00 16.07 C ATOM 787 CD2 PHE A 366 -23.147 28.645 18.109 1.00 21.56 C ATOM 788 CE1 PHE A 366 -22.982 25.897 17.943 1.00 16.53 C ATOM 789 CE2 PHE A 366 -24.079 27.939 17.370 1.00 19.17 C ATOM 790 CZ PHE A 366 -23.997 26.564 17.288 1.00 18.59 C ATOM 791 H PHE A 366 -19.651 30.088 21.233 1.00 0.00 H ATOM 792 N GLY A 367 -20.475 27.065 22.185 1.00 16.71 N ATOM 793 CA GLY A 367 -20.510 25.804 22.906 1.00 17.66 C ATOM 794 C GLY A 367 -21.235 25.911 24.233 1.00 21.23 C ATOM 795 O GLY A 367 -21.962 24.997 24.630 1.00 18.25 O ATOM 796 H GLY A 367 -19.565 27.534 22.003 1.00 0.00 H ATOM 797 N GLU A 368 -21.048 27.029 24.938 1.00 23.17 N ATOM 798 CA GLU A 368 -21.781 27.249 26.180 1.00 20.05 C ATOM 799 C GLU A 368 -23.279 27.350 25.919 1.00 19.11 C ATOM 800 O GLU A 368 -24.087 26.789 26.668 1.00 22.26 O ATOM 801 CB GLU A 368 -21.265 28.507 26.878 1.00 21.50 C ATOM 802 CG GLU A 368 -19.834 28.390 27.378 1.00 64.70 C ATOM 803 CD GLU A 368 -19.291 29.701 27.909 1.00102.96 C ATOM 804 OE1 GLU A 368 -19.969 30.737 27.747 1.00 82.45 O ATOM 805 OE2 GLU A 368 -18.184 29.696 28.488 1.00 73.08 O ATOM 806 H GLU A 368 -20.376 27.747 24.600 1.00 0.00 H ATOM 807 N MET A 369 -23.667 28.057 24.855 1.00 15.59 N ATOM 808 CA MET A 369 -25.076 28.116 24.480 1.00 15.64 C ATOM 809 C MET A 369 -25.596 26.739 24.095 1.00 15.63 C ATOM 810 O MET A 369 -26.698 26.347 24.498 1.00 19.64 O ATOM 811 CB MET A 369 -25.273 29.106 23.328 1.00 18.80 C ATOM 812 CG MET A 369 -26.705 29.211 22.804 1.00 19.63 C ATOM 813 SD MET A 369 -27.160 27.958 21.582 1.00 21.12 S ATOM 814 CE MET A 369 -25.972 28.292 20.287 1.00 18.78 C ATOM 815 H MET A 369 -22.960 28.569 24.290 1.00 0.00 H ATOM 816 N ALA A 370 -24.816 25.989 23.313 1.00 14.76 N ATOM 817 CA ALA A 370 -25.283 24.701 22.812 1.00 14.08 C ATOM 818 C ALA A 370 -25.449 23.690 23.938 1.00 15.06 C ATOM 819 O ALA A 370 -26.445 22.959 23.979 1.00 16.70 O ATOM 820 CB ALA A 370 -24.318 24.170 21.754 1.00 15.87 C ATOM 821 H ALA A 370 -23.866 26.326 23.058 1.00 0.00 H ATOM 822 N ASP A 371 -24.481 23.629 24.855 1.00 15.31 N ATOM 823 CA ASP A 371 -24.586 22.695 25.972 1.00 18.35 C ATOM 824 C ASP A 371 -25.730 23.073 26.902 1.00 17.91 C ATOM 825 O ASP A 371 -26.453 22.197 27.392 1.00 18.77 O ATOM 826 CB ASP A 371 -23.266 22.640 26.739 1.00 18.30 C ATOM 827 CG ASP A 371 -22.219 21.804 26.034 1.00 31.66 C ATOM 828 OD1 ASP A 371 -22.557 21.156 25.021 1.00 20.72 O ATOM 829 OD2 ASP A 371 -21.058 21.794 26.494 1.00 31.34 O ATOM 830 H ASP A 371 -23.650 24.249 24.773 1.00 0.00 H ATOM 831 N ASN A 372 -25.912 24.371 27.158 1.00 16.59 N ATOM 832 CA ASN A 372 -27.008 24.805 28.017 1.00 16.71 C ATOM 833 C ASN A 372 -28.360 24.465 27.402 1.00 18.16 C ATOM 834 O ASN A 372 -29.285 24.058 28.113 1.00 20.26 O ATOM 835 CB ASN A 372 -26.906 26.306 28.292 1.00 19.08 C ATOM 836 CG ASN A 372 -25.818 26.642 29.293 1.00 41.71 C ATOM 837 OD1 ASN A 372 -25.390 25.789 30.071 1.00 35.48 O ATOM 838 ND2 ASN A 372 -25.371 27.892 29.285 1.00 31.34 N ATOM 839 HD22 ASN A 372 -25.762 28.580 28.610 1.00 0.00 H ATOM 840 HD21 ASN A 372 -24.630 28.184 29.954 1.00 0.00 H ATOM 841 H ASN A 372 -25.269 25.076 26.743 1.00 0.00 H ATOM 842 N PHE A 373 -28.494 24.620 26.083 1.00 17.00 N ATOM 843 CA PHE A 373 -29.753 24.279 25.428 1.00 14.17 C ATOM 844 C PHE A 373 -30.076 22.801 25.599 1.00 16.14 C ATOM 845 O PHE A 373 -31.204 22.436 25.952 1.00 16.37 O ATOM 846 CB PHE A 373 -29.701 24.639 23.942 1.00 15.00 C ATOM 847 CG PHE A 373 -30.846 24.070 23.145 1.00 19.27 C ATOM 848 CD1 PHE A 373 -30.721 22.851 22.493 1.00 17.48 C ATOM 849 CD2 PHE A 373 -32.052 24.746 23.059 1.00 24.80 C ATOM 850 CE1 PHE A 373 -31.771 22.323 21.769 1.00 18.84 C ATOM 851 CE2 PHE A 373 -33.108 24.222 22.334 1.00 20.38 C ATOM 852 CZ PHE A 373 -32.966 23.008 21.689 1.00 19.65 C ATOM 853 H PHE A 373 -27.699 24.985 25.520 1.00 0.00 H ATOM 854 N LYS A 374 -29.096 21.932 25.340 1.00 14.36 N ATOM 855 CA LYS A 374 -29.359 20.498 25.367 1.00 16.02 C ATOM 856 C LYS A 374 -29.607 20.005 26.786 1.00 16.94 C ATOM 857 O LYS A 374 -30.528 19.213 27.020 1.00 14.60 O ATOM 858 CB LYS A 374 -28.198 19.735 24.731 1.00 15.22 C ATOM 859 CG LYS A 374 -28.415 18.233 24.690 1.00 13.14 C ATOM 860 CD LYS A 374 -27.251 17.516 24.032 1.00 12.79 C ATOM 861 CE LYS A 374 -27.497 16.018 23.988 1.00 16.54 C ATOM 862 NZ LYS A 374 -26.383 15.284 23.331 1.00 17.42 N ATOM 863 HZ1 LYS A 374 -26.275 15.623 22.354 1.00 0.00 H ATOM 864 HZ2 LYS A 374 -25.501 15.452 23.857 1.00 0.00 H ATOM 865 HZ3 LYS A 374 -26.596 14.266 23.325 1.00 0.00 H ATOM 866 H LYS A 374 -28.141 22.279 25.118 1.00 0.00 H ATOM 867 N SER A 375 -28.797 20.458 27.746 1.00 15.40 N ATOM 868 CA SER A 375 -28.990 20.027 29.126 1.00 14.77 C ATOM 869 C SER A 375 -30.315 20.533 29.682 1.00 15.53 C ATOM 870 O SER A 375 -30.974 19.833 30.459 1.00 18.57 O ATOM 871 CB SER A 375 -27.825 20.497 29.997 1.00 19.58 C ATOM 872 OG SER A 375 -27.751 21.910 30.036 1.00 27.10 O ATOM 873 HG SER A 375 -27.620 22.258 29.118 1.00 0.00 H ATOM 874 H SER A 375 -28.029 21.118 27.510 1.00 0.00 H ATOM 875 N ASP A 376 -30.727 21.743 29.294 1.00 17.83 N ATOM 876 CA ASP A 376 -32.028 22.241 29.731 1.00 18.12 C ATOM 877 C ASP A 376 -33.166 21.486 29.056 1.00 22.04 C ATOM 878 O ASP A 376 -34.188 21.202 29.690 1.00 23.86 O ATOM 879 CB ASP A 376 -32.154 23.740 29.455 1.00 18.34 C ATOM 880 CG ASP A 376 -31.217 24.574 30.305 1.00 91.55 C ATOM 881 OD1 ASP A 376 -30.865 25.694 29.878 1.00 49.95 O ATOM 882 OD2 ASP A 376 -30.817 24.102 31.390 1.00 61.82 O ATOM 883 H ASP A 376 -30.123 22.328 28.683 1.00 0.00 H ATOM 884 N TYR A 377 -33.010 21.152 27.771 1.00 15.71 N ATOM 885 CA TYR A 377 -34.105 20.515 27.046 1.00 14.08 C ATOM 886 C TYR A 377 -34.386 19.114 27.577 1.00 20.11 C ATOM 887 O TYR A 377 -35.550 18.732 27.745 1.00 20.49 O ATOM 888 CB TYR A 377 -33.801 20.467 25.548 1.00 14.97 C ATOM 889 CG TYR A 377 -35.001 20.065 24.720 1.00 24.00 C ATOM 890 CD1 TYR A 377 -35.256 18.731 24.430 1.00 15.59 C ATOM 891 CD2 TYR A 377 -35.892 21.020 24.247 1.00 20.49 C ATOM 892 CE1 TYR A 377 -36.357 18.360 23.685 1.00 23.30 C ATOM 893 CE2 TYR A 377 -36.997 20.659 23.501 1.00 25.47 C ATOM 894 CZ TYR A 377 -37.224 19.328 23.224 1.00 27.04 C ATOM 895 OH TYR A 377 -38.321 18.960 22.482 1.00 27.61 O ATOM 896 HH TYR A 377 -38.332 17.976 22.378 1.00 0.00 H ATOM 897 H TYR A 377 -32.109 21.346 27.288 1.00 0.00 H ATOM 898 N PHE A 378 -33.340 18.336 27.846 1.00 15.84 N ATOM 899 CA PHE A 378 -33.490 16.958 28.293 1.00 15.08 C ATOM 900 C PHE A 378 -33.386 16.801 29.805 1.00 22.02 C ATOM 901 O PHE A 378 -33.588 15.692 30.310 1.00 20.39 O ATOM 902 CB PHE A 378 -32.448 16.068 27.606 1.00 13.23 C ATOM 903 CG PHE A 378 -32.673 15.907 26.129 1.00 13.80 C ATOM 904 CD1 PHE A 378 -33.596 14.990 25.656 1.00 19.90 C ATOM 905 CD2 PHE A 378 -31.965 16.672 25.216 1.00 16.43 C ATOM 906 CE1 PHE A 378 -33.811 14.837 24.299 1.00 21.36 C ATOM 907 CE2 PHE A 378 -32.175 16.523 23.856 1.00 16.44 C ATOM 908 CZ PHE A 378 -33.099 15.604 23.397 1.00 18.33 C ATOM 909 H PHE A 378 -32.382 18.726 27.733 1.00 0.00 H ATOM 910 N ASN A 379 -33.077 17.878 30.532 1.00 17.44 N ATOM 911 CA ASN A 379 -33.030 17.863 31.996 1.00 19.12 C ATOM 912 C ASN A 379 -32.014 16.844 32.509 1.00 21.85 C ATOM 913 O ASN A 379 -32.264 16.122 33.477 1.00 20.09 O ATOM 914 CB ASN A 379 -34.417 17.600 32.590 1.00 23.91 C ATOM 915 CG ASN A 379 -34.545 18.094 34.016 1.00 59.73 C ATOM 916 OD1 ASN A 379 -33.911 19.076 34.404 1.00 39.42 O ATOM 917 ND2 ASN A 379 -35.366 17.413 34.806 1.00 38.65 N ATOM 918 HD22 ASN A 379 -35.881 16.589 34.434 1.00 0.00 H ATOM 919 HD21 ASN A 379 -35.494 17.703 35.796 1.00 0.00 H ATOM 920 H ASN A 379 -32.860 18.766 30.037 1.00 0.00 H ATOM 921 N MET A 380 -30.860 16.784 31.853 1.00 16.01 N ATOM 922 CA MET A 380 -29.802 15.853 32.219 1.00 18.68 C ATOM 923 C MET A 380 -28.508 16.324 31.568 1.00 15.18 C ATOM 924 O MET A 380 -28.543 17.134 30.634 1.00 17.91 O ATOM 925 CB MET A 380 -30.149 14.418 31.782 1.00 24.59 C ATOM 926 CG MET A 380 -30.172 14.196 30.284 1.00 19.04 C ATOM 927 SD MET A 380 -30.584 12.492 29.848 1.00 25.75 S ATOM 928 CE MET A 380 -32.355 12.482 30.113 1.00 34.39 C ATOM 929 H MET A 380 -30.707 17.425 31.049 1.00 0.00 H ATOM 930 N PRO A 381 -27.352 15.862 32.055 1.00 15.75 N ATOM 931 CA PRO A 381 -26.085 16.234 31.411 1.00 17.15 C ATOM 932 C PRO A 381 -26.075 15.843 29.940 1.00 13.07 C ATOM 933 O PRO A 381 -26.668 14.840 29.536 1.00 17.98 O ATOM 934 CB PRO A 381 -25.037 15.448 32.207 1.00 14.64 C ATOM 935 CG PRO A 381 -25.661 15.248 33.545 1.00 17.55 C ATOM 936 CD PRO A 381 -27.132 15.077 33.284 1.00 16.27 C ATOM 937 N VAL A 382 -25.382 16.655 29.135 1.00 20.98 N ATOM 938 CA VAL A 382 -25.455 16.512 27.682 1.00 18.74 C ATOM 939 C VAL A 382 -24.899 15.169 27.223 1.00 21.43 C ATOM 940 O VAL A 382 -25.397 14.582 26.254 1.00 23.80 O ATOM 941 CB VAL A 382 -24.737 17.690 26.990 1.00 20.44 C ATOM 942 CG1 VAL A 382 -25.484 18.992 27.250 1.00 21.64 C ATOM 943 CG2 VAL A 382 -23.295 17.807 27.467 1.00 23.45 C ATOM 944 H VAL A 382 -24.783 17.398 29.548 1.00 0.00 H ATOM 945 N HIS A 383 -23.874 14.656 27.901 1.00 25.72 N ATOM 946 CA HIS A 383 -23.266 13.393 27.502 1.00 22.00 C ATOM 947 C HIS A 383 -24.001 12.179 28.052 1.00 28.31 C ATOM 948 O HIS A 383 -23.547 11.051 27.835 1.00 32.65 O ATOM 949 CB HIS A 383 -21.797 13.357 27.932 1.00 32.16 C ATOM 950 CG HIS A 383 -20.903 14.208 27.084 1.00 25.62 C ATOM 951 ND1 HIS A 383 -19.992 15.094 27.617 1.00 47.09 N ATOM 952 CD2 HIS A 383 -20.782 14.307 25.739 1.00 28.16 C ATOM 953 CE1 HIS A 383 -19.349 15.704 26.637 1.00 36.36 C ATOM 954 NE2 HIS A 383 -19.809 15.244 25.487 1.00 45.58 N ATOM 955 H HIS A 383 -23.502 15.165 28.728 1.00 0.00 H ATOM 956 N MET A 384 -25.119 12.377 28.750 1.00 22.04 N ATOM 957 CA MET A 384 -25.942 11.278 29.232 1.00 19.22 C ATOM 958 C MET A 384 -27.190 11.053 28.389 1.00 19.56 C ATOM 959 O MET A 384 -27.894 10.061 28.606 1.00 20.68 O ATOM 960 CB MET A 384 -26.353 11.520 30.690 1.00 20.17 C ATOM 961 CG MET A 384 -25.196 11.507 31.677 1.00 29.30 C ATOM 962 SD MET A 384 -24.349 9.915 31.730 1.00 34.31 S ATOM 963 CE MET A 384 -25.690 8.831 32.216 1.00 33.99 C ATOM 964 H MET A 384 -25.414 13.352 28.958 1.00 0.00 H ATOM 965 N VAL A 385 -27.480 11.940 27.441 1.00 17.83 N ATOM 966 CA VAL A 385 -28.655 11.803 26.585 1.00 16.75 C ATOM 967 C VAL A 385 -28.370 10.741 25.529 1.00 20.59 C ATOM 968 O VAL A 385 -27.426 10.892 24.738 1.00 21.51 O ATOM 969 CB VAL A 385 -29.035 13.141 25.934 1.00 16.11 C ATOM 970 CG1 VAL A 385 -30.435 13.060 25.345 1.00 18.69 C ATOM 971 CG2 VAL A 385 -28.937 14.272 26.943 1.00 14.37 C ATOM 972 H VAL A 385 -26.850 12.756 27.305 1.00 0.00 H ATOM 973 N PRO A 386 -29.144 9.659 25.483 1.00 19.89 N ATOM 974 CA PRO A 386 -28.902 8.622 24.474 1.00 18.19 C ATOM 975 C PRO A 386 -29.116 9.159 23.067 1.00 15.46 C ATOM 976 O PRO A 386 -30.000 9.983 22.825 1.00 19.75 O ATOM 977 CB PRO A 386 -29.927 7.537 24.826 1.00 27.04 C ATOM 978 CG PRO A 386 -30.301 7.804 26.252 1.00 25.67 C ATOM 979 CD PRO A 386 -30.223 9.289 26.414 1.00 20.11 C ATOM 980 N THR A 387 -28.286 8.683 22.134 1.00 17.81 N ATOM 981 CA THR A 387 -28.412 9.115 20.745 1.00 13.84 C ATOM 982 C THR A 387 -29.760 8.725 20.156 1.00 19.44 C ATOM 983 O THR A 387 -30.289 9.436 19.294 1.00 18.07 O ATOM 984 CB THR A 387 -27.277 8.531 19.900 1.00 18.09 C ATOM 985 OG1 THR A 387 -27.267 7.103 20.028 1.00 20.89 O ATOM 986 CG2 THR A 387 -25.936 9.086 20.351 1.00 36.98 C ATOM 987 HG1 THR A 387 -26.532 6.729 19.480 1.00 0.00 H ATOM 988 H THR A 387 -27.546 8.001 22.399 1.00 0.00 H ATOM 989 N GLU A 388 -30.334 7.607 20.606 1.00 16.70 N ATOM 990 CA GLU A 388 -31.653 7.216 20.124 1.00 16.23 C ATOM 991 C GLU A 388 -32.734 8.181 20.596 1.00 19.19 C ATOM 992 O GLU A 388 -33.746 8.358 19.908 1.00 16.82 O ATOM 993 CB GLU A 388 -31.986 5.792 20.576 1.00 22.81 C ATOM 994 CG GLU A 388 -30.999 4.729 20.108 1.00 32.25 C ATOM 995 CD GLU A 388 -29.870 4.497 21.095 1.00 95.57 C ATOM 996 OE1 GLU A 388 -29.217 3.435 21.014 1.00 39.99 O ATOM 997 OE2 GLU A 388 -29.638 5.373 21.956 1.00 28.88 O ATOM 998 H GLU A 388 -29.839 7.014 21.302 1.00 0.00 H ATOM 999 N LEU A 389 -32.541 8.812 21.758 1.00 17.92 N ATOM 1000 CA LEU A 389 -33.550 9.733 22.275 1.00 16.66 C ATOM 1001 C LEU A 389 -33.541 11.052 21.513 1.00 17.45 C ATOM 1002 O LEU A 389 -34.603 11.579 21.162 1.00 19.53 O ATOM 1003 CB LEU A 389 -33.331 9.973 23.769 1.00 16.63 C ATOM 1004 CG LEU A 389 -34.285 10.971 24.427 1.00 21.58 C ATOM 1005 CD1 LEU A 389 -35.728 10.513 24.276 1.00 24.13 C ATOM 1006 CD2 LEU A 389 -33.932 11.172 25.894 1.00 25.01 C ATOM 1007 H LEU A 389 -31.667 8.646 22.297 1.00 0.00 H ATOM 1008 N VAL A 390 -32.353 11.606 21.256 1.00 15.68 N ATOM 1009 CA VAL A 390 -32.259 12.826 20.458 1.00 13.46 C ATOM 1010 C VAL A 390 -32.829 12.592 19.066 1.00 13.75 C ATOM 1011 O VAL A 390 -33.492 13.465 18.492 1.00 18.41 O ATOM 1012 CB VAL A 390 -30.799 13.313 20.395 1.00 14.57 C ATOM 1013 CG1 VAL A 390 -30.689 14.571 19.547 1.00 16.73 C ATOM 1014 CG2 VAL A 390 -30.258 13.558 21.792 1.00 18.98 C ATOM 1015 H VAL A 390 -31.487 11.165 21.627 1.00 0.00 H ATOM 1016 N GLU A 391 -32.586 11.405 18.506 1.00 14.88 N ATOM 1017 CA GLU A 391 -33.107 11.076 17.184 1.00 14.36 C ATOM 1018 C GLU A 391 -34.630 11.043 17.185 1.00 14.30 C ATOM 1019 O GLU A 391 -35.277 11.621 16.303 1.00 16.08 O ATOM 1020 CB GLU A 391 -32.534 9.736 16.724 1.00 16.12 C ATOM 1021 CG GLU A 391 -32.973 9.316 15.338 1.00 15.74 C ATOM 1022 CD GLU A 391 -32.336 8.015 14.899 1.00 16.09 C ATOM 1023 OE1 GLU A 391 -32.437 7.018 15.645 1.00 19.64 O ATOM 1024 OE2 GLU A 391 -31.727 7.991 13.810 1.00 15.35 O ATOM 1025 H GLU A 391 -32.016 10.704 19.021 1.00 0.00 H ATOM 1026 N LYS A 392 -35.222 10.371 18.175 1.00 17.52 N ATOM 1027 CA LYS A 392 -36.678 10.306 18.256 1.00 17.87 C ATOM 1028 C LYS A 392 -37.279 11.685 18.502 1.00 17.42 C ATOM 1029 O LYS A 392 -38.305 12.038 17.908 1.00 20.92 O ATOM 1030 CB LYS A 392 -37.097 9.331 19.356 1.00 26.74 C ATOM 1031 H LYS A 392 -34.642 9.891 18.893 1.00 0.00 H ATOM 1032 N GLU A 393 -36.648 12.483 19.366 1.00 17.95 N ATOM 1033 CA GLU A 393 -37.176 13.811 19.664 1.00 18.30 C ATOM 1034 C GLU A 393 -37.047 14.744 18.467 1.00 19.16 C ATOM 1035 O GLU A 393 -37.926 15.582 18.233 1.00 18.32 O ATOM 1036 CB GLU A 393 -36.465 14.399 20.882 1.00 22.38 C ATOM 1037 CG GLU A 393 -37.223 14.204 22.179 1.00 53.41 C ATOM 1038 CD GLU A 393 -38.570 14.899 22.169 1.00 40.18 C ATOM 1039 OE1 GLU A 393 -38.603 16.143 22.286 1.00 41.24 O ATOM 1040 OE2 GLU A 393 -39.595 14.201 22.031 1.00 35.19 O ATOM 1041 H GLU A 393 -35.776 12.157 19.829 1.00 0.00 H ATOM 1042 N PHE A 394 -35.963 14.616 17.699 1.00 16.54 N ATOM 1043 CA PHE A 394 -35.771 15.487 16.543 1.00 17.30 C ATOM 1044 C PHE A 394 -36.908 15.328 15.541 1.00 17.61 C ATOM 1045 O PHE A 394 -37.495 16.318 15.090 1.00 18.11 O ATOM 1046 CB PHE A 394 -34.425 15.196 15.879 1.00 15.89 C ATOM 1047 CG PHE A 394 -34.218 15.929 14.582 1.00 20.73 C ATOM 1048 CD1 PHE A 394 -33.842 17.263 14.574 1.00 16.88 C ATOM 1049 CD2 PHE A 394 -34.397 15.282 13.369 1.00 15.05 C ATOM 1050 CE1 PHE A 394 -33.650 17.939 13.379 1.00 15.62 C ATOM 1051 CE2 PHE A 394 -34.208 15.950 12.174 1.00 16.99 C ATOM 1052 CZ PHE A 394 -33.834 17.280 12.178 1.00 14.57 C ATOM 1053 H PHE A 394 -35.251 13.892 17.925 1.00 0.00 H ATOM 1054 N TRP A 395 -37.241 14.085 15.190 1.00 16.72 N ATOM 1055 CA TRP A 395 -38.264 13.861 14.175 1.00 16.17 C ATOM 1056 C TRP A 395 -39.665 14.136 14.703 1.00 17.85 C ATOM 1057 O TRP A 395 -40.563 14.472 13.922 1.00 22.83 O ATOM 1058 CB TRP A 395 -38.146 12.439 13.627 1.00 18.43 C ATOM 1059 CG TRP A 395 -36.909 12.276 12.806 1.00 18.55 C ATOM 1060 CD1 TRP A 395 -35.836 11.478 13.079 1.00 19.27 C ATOM 1061 CD2 TRP A 395 -36.598 12.967 11.592 1.00 17.29 C ATOM 1062 NE1 TRP A 395 -34.884 11.616 12.097 1.00 16.51 N ATOM 1063 CE2 TRP A 395 -35.328 12.526 11.173 1.00 16.09 C ATOM 1064 CE3 TRP A 395 -37.276 13.910 10.812 1.00 17.84 C ATOM 1065 CZ2 TRP A 395 -34.721 12.997 10.010 1.00 16.29 C ATOM 1066 CZ3 TRP A 395 -36.673 14.374 9.659 1.00 14.22 C ATOM 1067 CH2 TRP A 395 -35.410 13.916 9.268 1.00 14.24 C ATOM 1068 HE1 TRP A 395 -33.975 11.112 12.061 1.00 0.00 H ATOM 1069 H TRP A 395 -36.770 13.274 15.641 1.00 0.00 H ATOM 1070 N ARG A 396 -39.876 14.010 16.015 1.00 17.33 N ATOM 1071 CA ARG A 396 -41.146 14.444 16.585 1.00 20.40 C ATOM 1072 C ARG A 396 -41.300 15.956 16.480 1.00 22.91 C ATOM 1073 O ARG A 396 -42.378 16.456 16.140 1.00 23.05 O ATOM 1074 CB ARG A 396 -41.259 13.997 18.042 1.00 22.82 C ATOM 1075 CG ARG A 396 -42.605 14.322 18.675 1.00 28.63 C ATOM 1076 CD ARG A 396 -42.601 14.102 20.180 1.00 24.74 C ATOM 1077 NE ARG A 396 -41.748 15.061 20.878 1.00 21.72 N ATOM 1078 CZ ARG A 396 -42.117 16.299 21.190 1.00 34.07 C ATOM 1079 NH1 ARG A 396 -43.325 16.737 20.860 1.00 36.93 N ATOM 1080 NH2 ARG A 396 -41.277 17.104 21.827 1.00 29.96 N ATOM 1081 HE ARG A 396 -40.791 14.755 21.148 1.00 0.00 H ATOM 1082 HH12 ARG A 396 -43.612 17.706 21.105 1.00 0.00 H ATOM 1083 HH11 ARG A 396 -43.985 16.111 20.356 1.00 0.00 H ATOM 1084 HH22 ARG A 396 -41.568 18.072 22.070 1.00 0.00 H ATOM 1085 HH21 ARG A 396 -40.327 16.767 22.083 1.00 0.00 H ATOM 1086 H ARG A 396 -39.139 13.605 16.627 1.00 0.00 H ATOM 1087 N LEU A 397 -40.225 16.699 16.756 1.00 17.93 N ATOM 1088 CA LEU A 397 -40.293 18.156 16.720 1.00 18.29 C ATOM 1089 C LEU A 397 -40.467 18.687 15.304 1.00 16.93 C ATOM 1090 O LEU A 397 -41.097 19.733 15.111 1.00 23.35 O ATOM 1091 CB LEU A 397 -39.036 18.756 17.349 1.00 17.80 C ATOM 1092 CG LEU A 397 -38.869 18.588 18.860 1.00 21.38 C ATOM 1093 CD1 LEU A 397 -37.497 19.075 19.302 1.00 19.52 C ATOM 1094 CD2 LEU A 397 -39.971 19.328 19.597 1.00 23.66 C ATOM 1095 H LEU A 397 -39.328 16.233 17.000 1.00 0.00 H ATOM 1096 N VAL A 398 -39.911 17.994 14.306 1.00 16.27 N ATOM 1097 CA VAL A 398 -40.020 18.455 12.924 1.00 16.58 C ATOM 1098 C VAL A 398 -41.474 18.482 12.474 1.00 23.60 C ATOM 1099 O VAL A 398 -41.886 19.378 11.724 1.00 21.59 O ATOM 1100 CB VAL A 398 -39.151 17.571 12.005 1.00 19.02 C ATOM 1101 CG1 VAL A 398 -39.468 17.833 10.542 1.00 25.62 C ATOM 1102 CG2 VAL A 398 -37.675 17.816 12.279 1.00 17.88 C ATOM 1103 H VAL A 398 -39.394 17.116 14.516 1.00 0.00 H ATOM 1104 N SER A 399 -42.279 17.528 12.934 1.00 23.40 N ATOM 1105 CA SER A 399 -43.683 17.439 12.559 1.00 29.21 C ATOM 1106 C SER A 399 -44.623 17.983 13.626 1.00 33.38 C ATOM 1107 O SER A 399 -45.843 17.900 13.456 1.00 32.60 O ATOM 1108 CB SER A 399 -44.054 15.986 12.245 1.00 18.09 C ATOM 1109 OG SER A 399 -43.282 15.482 11.169 1.00 17.93 O ATOM 1110 HG SER A 399 -42.322 15.519 11.407 1.00 0.00 H ATOM 1111 H SER A 399 -41.890 16.818 13.587 1.00 0.00 H ATOM 1112 N SER A 400 -44.092 18.535 14.714 1.00 23.84 N ATOM 1113 CA SER A 400 -44.930 19.042 15.792 1.00 22.64 C ATOM 1114 C SER A 400 -45.434 20.442 15.466 1.00 43.46 C ATOM 1115 O SER A 400 -44.659 21.314 15.060 1.00 47.35 O ATOM 1116 CB SER A 400 -44.156 19.057 17.110 1.00 27.86 C ATOM 1117 OG SER A 400 -44.929 19.635 18.149 1.00 35.21 O ATOM 1118 HG SER A 400 -44.405 19.632 18.989 1.00 0.00 H ATOM 1119 H SER A 400 -43.058 18.606 14.796 1.00 0.00 H ATOM 1120 N ILE A 401 -46.740 20.656 15.647 1.00 39.95 N ATOM 1121 CA ILE A 401 -47.341 21.973 15.460 1.00 71.88 C ATOM 1122 C ILE A 401 -47.601 22.683 16.783 1.00 63.46 C ATOM 1123 O ILE A 401 -47.907 23.886 16.779 1.00 72.66 O ATOM 1124 CB ILE A 401 -48.651 21.876 14.646 1.00 75.94 C ATOM 1125 CG1 ILE A 401 -48.934 23.191 13.914 1.00 88.51 C ATOM 1126 CG2 ILE A 401 -49.819 21.507 15.550 1.00 84.04 C ATOM 1127 CD1 ILE A 401 -50.117 23.123 12.970 1.00 98.83 C ATOM 1128 H ILE A 401 -47.347 19.860 15.930 1.00 0.00 H ATOM 1129 N GLU A 402 -47.478 21.984 17.912 1.00 38.25 N ATOM 1130 CA GLU A 402 -47.725 22.572 19.221 1.00 68.39 C ATOM 1131 C GLU A 402 -46.463 23.105 19.886 1.00 59.78 C ATOM 1132 O GLU A 402 -46.558 23.997 20.736 1.00 58.62 O ATOM 1133 CB GLU A 402 -48.375 21.542 20.150 1.00 66.97 C ATOM 1134 CG GLU A 402 -49.473 20.706 19.507 1.00 79.86 C ATOM 1135 CD GLU A 402 -50.708 21.515 19.162 1.00101.06 C ATOM 1136 OE1 GLU A 402 -51.506 21.049 18.322 1.00111.01 O ATOM 1137 OE2 GLU A 402 -50.883 22.614 19.729 1.00119.68 O ATOM 1138 H GLU A 402 -47.196 20.985 17.856 1.00 0.00 H ATOM 1139 N GLU A 403 -45.293 22.583 19.527 1.00 36.61 N ATOM 1140 CA GLU A 403 -44.030 22.965 20.147 1.00 33.71 C ATOM 1141 C GLU A 403 -43.111 23.540 19.080 1.00 34.81 C ATOM 1142 O GLU A 403 -42.821 22.872 18.081 1.00 41.88 O ATOM 1143 CB GLU A 403 -43.379 21.763 20.836 1.00 35.08 C ATOM 1144 CG GLU A 403 -42.114 22.083 21.615 1.00 55.80 C ATOM 1145 CD GLU A 403 -41.593 20.883 22.383 1.00112.34 C ATOM 1146 OE1 GLU A 403 -42.281 19.840 22.392 1.00 38.05 O ATOM 1147 OE2 GLU A 403 -40.497 20.979 22.976 1.00 39.87 O ATOM 1148 H GLU A 403 -45.279 21.870 18.770 1.00 0.00 H ATOM 1149 N ASP A 404 -42.654 24.772 19.290 1.00 27.37 N ATOM 1150 CA ASP A 404 -41.771 25.463 18.353 1.00 39.87 C ATOM 1151 C ASP A 404 -40.369 25.495 18.952 1.00 40.06 C ATOM 1152 O ASP A 404 -40.092 26.275 19.868 1.00 62.43 O ATOM 1153 CB ASP A 404 -42.279 26.871 18.052 1.00 36.79 C ATOM 1154 CG ASP A 404 -43.738 26.891 17.646 1.00 62.17 C ATOM 1155 OD1 ASP A 404 -44.574 27.348 18.454 1.00128.30 O ATOM 1156 OD2 ASP A 404 -44.051 26.438 16.525 1.00 35.83 O ATOM 1157 H ASP A 404 -42.938 25.265 20.160 1.00 0.00 H ATOM 1158 N VAL A 405 -39.488 24.646 18.429 1.00 23.08 N ATOM 1159 CA VAL A 405 -38.096 24.584 18.859 1.00 23.78 C ATOM 1160 C VAL A 405 -37.232 25.249 17.798 1.00 17.97 C ATOM 1161 O VAL A 405 -37.356 24.949 16.603 1.00 20.69 O ATOM 1162 CB VAL A 405 -37.651 23.132 19.106 1.00 21.66 C ATOM 1163 CG1 VAL A 405 -36.145 23.063 19.316 1.00 21.79 C ATOM 1164 CG2 VAL A 405 -38.381 22.559 20.310 1.00 22.57 C ATOM 1165 H VAL A 405 -39.806 23.998 17.680 1.00 0.00 H ATOM 1166 N ILE A 406 -36.356 26.152 18.233 1.00 19.87 N ATOM 1167 CA ILE A 406 -35.502 26.928 17.345 1.00 21.31 C ATOM 1168 C ILE A 406 -34.057 26.752 17.790 1.00 21.36 C ATOM 1169 O ILE A 406 -33.739 26.950 18.968 1.00 20.90 O ATOM 1170 CB ILE A 406 -35.895 28.418 17.348 1.00 31.06 C ATOM 1171 CG1 ILE A 406 -37.316 28.596 16.807 1.00 31.15 C ATOM 1172 CG2 ILE A 406 -34.907 29.230 16.544 1.00 26.94 C ATOM 1173 CD1 ILE A 406 -37.811 30.025 16.848 1.00 49.76 C ATOM 1174 H ILE A 406 -36.278 26.311 19.258 1.00 0.00 H ATOM 1175 N VAL A 407 -33.187 26.376 16.853 1.00 18.45 N ATOM 1176 CA VAL A 407 -31.772 26.168 17.120 1.00 16.42 C ATOM 1177 C VAL A 407 -30.958 26.997 16.131 1.00 15.44 C ATOM 1178 O VAL A 407 -31.504 27.669 15.256 1.00 17.66 O ATOM 1179 CB VAL A 407 -31.375 24.679 17.049 1.00 13.66 C ATOM 1180 CG1 VAL A 407 -32.148 23.874 18.082 1.00 15.28 C ATOM 1181 CG2 VAL A 407 -31.608 24.135 15.648 1.00 16.02 C ATOM 1182 H VAL A 407 -33.536 26.224 15.885 1.00 0.00 H ATOM 1183 N GLU A 408 -29.635 26.940 16.280 1.00 15.86 N ATOM 1184 CA GLU A 408 -28.714 27.716 15.462 1.00 15.30 C ATOM 1185 C GLU A 408 -27.599 26.817 14.950 1.00 16.17 C ATOM 1186 O GLU A 408 -27.147 25.910 15.654 1.00 16.50 O ATOM 1187 CB GLU A 408 -28.124 28.888 16.257 1.00 20.31 C ATOM 1188 CG GLU A 408 -29.176 29.805 16.862 1.00 21.33 C ATOM 1189 CD GLU A 408 -28.598 30.780 17.867 1.00 28.54 C ATOM 1190 OE1 GLU A 408 -27.585 31.433 17.546 1.00 59.16 O ATOM 1191 OE2 GLU A 408 -29.154 30.888 18.981 1.00 56.76 O ATOM 1192 H GLU A 408 -29.243 26.314 17.012 1.00 0.00 H ATOM 1193 N TYR A 409 -27.151 27.077 13.724 1.00 13.74 N ATOM 1194 CA TYR A 409 -26.145 26.252 13.065 1.00 17.64 C ATOM 1195 C TYR A 409 -25.063 27.155 12.495 1.00 23.05 C ATOM 1196 O TYR A 409 -25.361 28.061 11.710 1.00 20.95 O ATOM 1197 CB TYR A 409 -26.775 25.406 11.953 1.00 18.78 C ATOM 1198 CG TYR A 409 -25.996 24.161 11.587 1.00 27.66 C ATOM 1199 CD1 TYR A 409 -26.461 23.293 10.608 1.00 25.73 C ATOM 1200 CD2 TYR A 409 -24.807 23.846 12.228 1.00 30.53 C ATOM 1201 CE1 TYR A 409 -25.757 22.152 10.272 1.00 21.95 C ATOM 1202 CE2 TYR A 409 -24.096 22.708 11.899 1.00 25.13 C ATOM 1203 CZ TYR A 409 -24.576 21.864 10.922 1.00 21.63 C ATOM 1204 OH TYR A 409 -23.873 20.728 10.592 1.00 26.80 O ATOM 1205 HH TYR A 409 -24.354 20.239 9.878 1.00 0.00 H ATOM 1206 H TYR A 409 -27.533 27.900 13.216 1.00 0.00 H ATOM 1207 N GLY A 410 -23.815 26.911 12.888 1.00 17.80 N ATOM 1208 CA GLY A 410 -22.685 27.598 12.290 1.00 18.56 C ATOM 1209 C GLY A 410 -22.232 26.905 11.022 1.00 18.68 C ATOM 1210 O GLY A 410 -21.297 26.100 11.043 1.00 25.39 O ATOM 1211 H GLY A 410 -23.646 26.213 13.640 1.00 0.00 H ATOM 1212 N ALA A 411 -22.887 27.220 9.910 1.00 24.23 N ATOM 1213 CA ALA A 411 -22.740 26.478 8.669 1.00 33.75 C ATOM 1214 C ALA A 411 -22.084 27.325 7.587 1.00 23.46 C ATOM 1215 O ALA A 411 -22.135 28.558 7.608 1.00 35.38 O ATOM 1216 CB ALA A 411 -24.100 25.979 8.176 1.00 33.14 C ATOM 1217 H ALA A 411 -23.534 28.034 9.928 1.00 0.00 H ATOM 1218 N ASP A 412 -21.479 26.625 6.624 1.00 35.96 N ATOM 1219 CA ASP A 412 -20.828 27.232 5.461 1.00 34.65 C ATOM 1220 C ASP A 412 -19.777 28.262 5.875 1.00 33.83 C ATOM 1221 O ASP A 412 -19.707 29.368 5.334 1.00 37.29 O ATOM 1222 CB ASP A 412 -21.852 27.846 4.503 1.00 40.76 C ATOM 1223 CG ASP A 412 -22.743 26.802 3.859 1.00 82.44 C ATOM 1224 OD1 ASP A 412 -23.923 27.107 3.589 1.00 74.91 O ATOM 1225 OD2 ASP A 412 -22.267 25.669 3.640 1.00 35.69 O ATOM 1226 H ASP A 412 -21.470 25.588 6.705 1.00 0.00 H ATOM 1227 N ILE A 413 -18.952 27.887 6.845 1.00 27.23 N ATOM 1228 CA ILE A 413 -17.774 28.665 7.205 1.00 28.15 C ATOM 1229 C ILE A 413 -16.609 28.151 6.373 1.00 28.31 C ATOM 1230 O ILE A 413 -16.217 26.985 6.491 1.00 28.42 O ATOM 1231 CB ILE A 413 -17.472 28.560 8.706 1.00 24.02 C ATOM 1232 CG1 ILE A 413 -18.649 29.090 9.525 1.00 24.19 C ATOM 1233 CG2 ILE A 413 -16.200 29.321 9.043 1.00 25.39 C ATOM 1234 CD1 ILE A 413 -18.501 28.872 11.013 1.00 25.48 C ATOM 1235 H ILE A 413 -19.153 27.009 7.365 1.00 0.00 H ATOM 1236 N SER A 414 -16.066 29.011 5.519 1.00 27.91 N ATOM 1237 CA SER A 414 -14.960 28.607 4.666 1.00 25.98 C ATOM 1238 C SER A 414 -13.711 28.351 5.497 1.00 29.15 C ATOM 1239 O SER A 414 -13.446 29.046 6.482 1.00 32.05 O ATOM 1240 CB SER A 414 -14.682 29.679 3.614 1.00 36.25 C ATOM 1241 OG SER A 414 -13.592 29.306 2.790 1.00 35.42 O ATOM 1242 HG SER A 414 -13.431 30.014 2.117 1.00 0.00 H ATOM 1243 H SER A 414 -16.435 29.982 5.460 1.00 0.00 H ATOM 1244 N SER A 415 -12.938 27.341 5.095 1.00 22.58 N ATOM 1245 CA SER A 415 -11.660 27.077 5.743 1.00 21.68 C ATOM 1246 C SER A 415 -10.646 28.187 5.504 1.00 41.09 C ATOM 1247 O SER A 415 -9.558 28.144 6.086 1.00 30.60 O ATOM 1248 CB SER A 415 -11.090 25.743 5.261 1.00 28.54 C ATOM 1249 OG SER A 415 -10.906 25.747 3.855 1.00 27.51 O ATOM 1250 HG SER A 415 -11.777 25.900 3.410 1.00 0.00 H ATOM 1251 H SER A 415 -13.251 26.735 4.310 1.00 0.00 H ATOM 1252 N LYS A 416 -10.968 29.172 4.665 1.00 28.46 N ATOM 1253 CA LYS A 416 -10.056 30.285 4.438 1.00 34.03 C ATOM 1254 C LYS A 416 -10.176 31.352 5.518 1.00 63.90 C ATOM 1255 O LYS A 416 -9.222 32.104 5.746 1.00 60.01 O ATOM 1256 CB LYS A 416 -10.314 30.904 3.063 1.00 38.58 C ATOM 1257 H LYS A 416 -11.881 29.145 4.167 1.00 0.00 H ATOM 1258 N ASP A 417 -11.323 31.425 6.198 1.00 31.32 N ATOM 1259 CA ASP A 417 -11.557 32.509 7.148 1.00 59.10 C ATOM 1260 C ASP A 417 -10.672 32.373 8.382 1.00 43.70 C ATOM 1261 O ASP A 417 -9.940 33.305 8.736 1.00 37.14 O ATOM 1262 CB ASP A 417 -13.034 32.554 7.542 1.00 31.08 C ATOM 1263 CG ASP A 417 -13.936 32.916 6.379 1.00 72.23 C ATOM 1264 OD1 ASP A 417 -13.527 32.699 5.218 1.00 67.36 O ATOM 1265 OD2 ASP A 417 -15.048 33.429 6.624 1.00 96.37 O ATOM 1266 H ASP A 417 -12.057 30.703 6.050 1.00 0.00 H ATOM 1267 N PHE A 418 -10.726 31.223 9.055 1.00 33.84 N ATOM 1268 CA PHE A 418 -9.935 30.997 10.259 1.00 33.27 C ATOM 1269 C PHE A 418 -9.026 29.781 10.147 1.00 30.48 C ATOM 1270 O PHE A 418 -8.466 29.344 11.159 1.00 34.61 O ATOM 1271 CB PHE A 418 -10.848 30.850 11.478 1.00 36.16 C ATOM 1272 CG PHE A 418 -11.850 31.956 11.618 1.00 34.56 C ATOM 1273 CD1 PHE A 418 -13.180 31.747 11.295 1.00 30.98 C ATOM 1274 CD2 PHE A 418 -11.460 33.208 12.062 1.00 43.60 C ATOM 1275 CE1 PHE A 418 -14.104 32.765 11.418 1.00 37.88 C ATOM 1276 CE2 PHE A 418 -12.379 34.230 12.186 1.00 40.86 C ATOM 1277 CZ PHE A 418 -13.702 34.008 11.864 1.00 32.16 C ATOM 1278 H PHE A 418 -11.350 30.466 8.711 1.00 0.00 H ATOM 1279 N GLY A 419 -8.863 29.227 8.954 1.00 38.19 N ATOM 1280 CA GLY A 419 -8.037 28.056 8.769 1.00 28.23 C ATOM 1281 C GLY A 419 -8.850 26.772 8.801 1.00 28.98 C ATOM 1282 O GLY A 419 -9.970 26.714 9.317 1.00 28.30 O ATOM 1283 H GLY A 419 -9.341 29.645 8.131 1.00 0.00 H ATOM 1284 N SER A 420 -8.271 25.726 8.222 1.00 26.59 N ATOM 1285 CA SER A 420 -8.884 24.411 8.258 1.00 22.16 C ATOM 1286 C SER A 420 -8.707 23.783 9.636 1.00 23.02 C ATOM 1287 O SER A 420 -7.800 24.132 10.395 1.00 23.60 O ATOM 1288 CB SER A 420 -8.276 23.502 7.188 1.00 19.45 C ATOM 1289 OG SER A 420 -8.660 22.151 7.381 1.00 21.07 O ATOM 1290 HG SER A 420 -9.646 22.079 7.333 1.00 0.00 H ATOM 1291 H SER A 420 -7.361 25.852 7.734 1.00 0.00 H ATOM 1292 N GLY A 421 -9.595 22.841 9.957 1.00 21.15 N ATOM 1293 CA GLY A 421 -9.433 22.079 11.183 1.00 19.94 C ATOM 1294 C GLY A 421 -8.184 21.222 11.182 1.00 18.00 C ATOM 1295 O GLY A 421 -7.656 20.886 12.246 1.00 21.23 O ATOM 1296 H GLY A 421 -10.403 22.652 9.330 1.00 0.00 H ATOM 1297 N PHE A 422 -7.700 20.844 9.990 1.00 19.58 N ATOM 1298 CA PHE A 422 -6.479 20.098 9.738 1.00 19.76 C ATOM 1299 C PHE A 422 -5.287 21.043 9.645 1.00 21.43 C ATOM 1300 O PHE A 422 -5.422 22.181 9.179 1.00 19.94 O ATOM 1301 CB PHE A 422 -6.590 19.310 8.435 1.00 18.35 C ATOM 1302 CG PHE A 422 -7.605 18.206 8.470 1.00 18.52 C ATOM 1303 CD1 PHE A 422 -7.285 16.969 9.002 1.00 19.63 C ATOM 1304 CD2 PHE A 422 -8.875 18.401 7.953 1.00 17.12 C ATOM 1305 CE1 PHE A 422 -8.218 15.947 9.030 1.00 22.12 C ATOM 1306 CE2 PHE A 422 -9.813 17.383 7.977 1.00 19.08 C ATOM 1307 CZ PHE A 422 -9.482 16.155 8.515 1.00 20.90 C ATOM 1308 H PHE A 422 -8.259 21.114 9.156 1.00 0.00 H ATOM 1309 N PRO A 423 -4.110 20.599 10.079 1.00 22.36 N ATOM 1310 CA PRO A 423 -2.900 21.392 9.841 1.00 26.41 C ATOM 1311 C PRO A 423 -2.585 21.458 8.356 1.00 25.92 C ATOM 1312 O PRO A 423 -2.736 20.477 7.624 1.00 23.13 O ATOM 1313 CB PRO A 423 -1.817 20.632 10.616 1.00 26.69 C ATOM 1314 CG PRO A 423 -2.335 19.236 10.708 1.00 37.76 C ATOM 1315 CD PRO A 423 -3.826 19.359 10.819 1.00 27.09 C ATOM 1316 N VAL A 424 -2.159 22.637 7.911 1.00 23.51 N ATOM 1317 CA VAL A 424 -1.850 22.894 6.510 1.00 20.88 C ATOM 1318 C VAL A 424 -0.524 23.638 6.443 1.00 27.11 C ATOM 1319 O VAL A 424 -0.303 24.588 7.202 1.00 30.31 O ATOM 1320 CB VAL A 424 -2.964 23.705 5.817 1.00 34.05 C ATOM 1321 CG1 VAL A 424 -2.515 24.175 4.442 1.00 39.87 C ATOM 1322 CG2 VAL A 424 -4.236 22.877 5.706 1.00 42.47 C ATOM 1323 H VAL A 424 -2.041 23.412 8.595 1.00 0.00 H ATOM 1324 N LYS A 425 0.355 23.210 5.536 1.00 32.39 N ATOM 1325 CA LYS A 425 1.640 23.877 5.328 1.00 37.13 C ATOM 1326 C LYS A 425 1.443 25.166 4.524 1.00 36.43 C ATOM 1327 O LYS A 425 2.032 25.384 3.466 1.00108.55 O ATOM 1328 CB LYS A 425 2.621 22.934 4.644 1.00 46.16 C ATOM 1329 CG LYS A 425 2.684 21.549 5.270 1.00 54.29 C ATOM 1330 CD LYS A 425 4.054 20.917 5.092 1.00 94.29 C ATOM 1331 CE LYS A 425 5.076 21.558 6.019 1.00109.27 C ATOM 1332 NZ LYS A 425 6.428 20.954 5.867 1.00 87.93 N ATOM 1333 HZ1 LYS A 425 6.380 19.939 6.090 1.00 0.00 H ATOM 1334 HZ2 LYS A 425 6.755 21.080 4.888 1.00 0.00 H ATOM 1335 HZ3 LYS A 425 7.091 21.422 6.518 1.00 0.00 H ATOM 1336 H LYS A 425 0.120 22.377 4.959 1.00 0.00 H ATOM 1337 N ASP A 426 0.582 26.031 5.061 1.00171.32 N ATOM 1338 CA ASP A 426 0.267 27.312 4.445 1.00178.10 C ATOM 1339 C ASP A 426 1.232 28.416 4.850 1.00209.35 C ATOM 1340 O ASP A 426 1.398 29.385 4.100 1.00198.91 O ATOM 1341 CB ASP A 426 -1.164 27.727 4.814 1.00 98.88 C ATOM 1342 CG ASP A 426 -1.616 28.987 4.100 1.00143.59 C ATOM 1343 OD1 ASP A 426 -1.126 29.255 2.983 1.00137.12 O ATOM 1344 OD2 ASP A 426 -2.462 29.715 4.662 1.00127.10 O ATOM 1345 H ASP A 426 0.116 25.780 5.957 1.00 0.00 H ATOM 1346 N GLY A 427 1.881 28.288 6.006 1.00150.72 N ATOM 1347 CA GLY A 427 2.716 29.339 6.538 1.00160.50 C ATOM 1348 C GLY A 427 1.992 30.333 7.418 1.00152.76 C ATOM 1349 O GLY A 427 2.646 31.197 8.017 1.00168.47 O ATOM 1350 H GLY A 427 1.783 27.403 6.543 1.00 0.00 H ATOM 1351 N ARG A 428 0.666 30.242 7.515 1.00105.05 N ATOM 1352 CA ARG A 428 -0.111 31.138 8.359 1.00117.86 C ATOM 1353 C ARG A 428 -0.203 30.666 9.803 1.00 96.98 C ATOM 1354 O ARG A 428 -0.581 31.456 10.675 1.00 86.73 O ATOM 1355 CB ARG A 428 -1.525 31.305 7.792 1.00 77.86 C ATOM 1356 H ARG A 428 0.171 29.507 6.970 1.00 0.00 H ATOM 1357 N ARG A 429 0.130 29.407 10.076 1.00 65.91 N ATOM 1358 CA ARG A 429 0.087 28.867 11.426 1.00 55.67 C ATOM 1359 C ARG A 429 1.255 27.910 11.611 1.00 81.31 C ATOM 1360 O ARG A 429 1.744 27.311 10.651 1.00 58.09 O ATOM 1361 CB ARG A 429 -1.243 28.150 11.702 1.00 53.99 C ATOM 1362 CG ARG A 429 -1.582 28.001 13.178 1.00 59.44 C ATOM 1363 CD ARG A 429 -2.956 27.377 13.358 1.00 59.65 C ATOM 1364 NE ARG A 429 -3.457 27.523 14.723 1.00 58.03 N ATOM 1365 CZ ARG A 429 -3.326 26.602 15.671 1.00 81.42 C ATOM 1366 NH1 ARG A 429 -2.709 25.458 15.410 1.00 50.87 N ATOM 1367 NH2 ARG A 429 -3.815 26.824 16.884 1.00 65.98 N ATOM 1368 HE ARG A 429 -3.948 28.406 14.968 1.00 0.00 H ATOM 1369 HH12 ARG A 429 -2.609 24.740 16.155 1.00 0.00 H ATOM 1370 HH11 ARG A 429 -2.325 25.279 14.460 1.00 0.00 H ATOM 1371 HH22 ARG A 429 -3.712 26.103 17.626 1.00 0.00 H ATOM 1372 HH21 ARG A 429 -4.301 27.719 17.093 1.00 0.00 H ATOM 1373 H ARG A 429 0.432 28.787 9.297 1.00 0.00 H ATOM 1374 N LYS A 430 1.702 27.777 12.856 1.00 58.70 N ATOM 1375 CA LYS A 430 2.839 26.924 13.163 1.00 83.56 C ATOM 1376 C LYS A 430 2.426 25.458 13.170 1.00 73.77 C ATOM 1377 O LYS A 430 1.353 25.101 13.665 1.00 52.14 O ATOM 1378 CB LYS A 430 3.441 27.303 14.516 1.00107.21 C ATOM 1379 H LYS A 430 1.229 28.293 13.625 1.00 0.00 H ATOM 1380 N ILE A 431 3.284 24.608 12.612 1.00 44.41 N ATOM 1381 CA ILE A 431 3.072 23.165 12.583 1.00 46.40 C ATOM 1382 C ILE A 431 4.221 22.510 13.336 1.00 38.03 C ATOM 1383 O ILE A 431 5.393 22.721 12.999 1.00 47.30 O ATOM 1384 CB ILE A 431 2.973 22.620 11.148 1.00 56.20 C ATOM 1385 CG1 ILE A 431 1.559 22.801 10.590 1.00 38.21 C ATOM 1386 CG2 ILE A 431 3.355 21.149 11.099 1.00 40.90 C ATOM 1387 CD1 ILE A 431 1.261 24.189 10.087 1.00 64.07 C ATOM 1388 H ILE A 431 4.147 24.991 12.176 1.00 0.00 H ATOM 1389 N LEU A 432 3.887 21.727 14.359 1.00 38.65 N ATOM 1390 CA LEU A 432 4.893 20.992 15.102 1.00 50.61 C ATOM 1391 C LEU A 432 5.373 19.793 14.287 1.00 47.53 C ATOM 1392 O LEU A 432 4.681 19.334 13.375 1.00 35.25 O ATOM 1393 CB LEU A 432 4.328 20.535 16.445 1.00 45.91 C ATOM 1394 CG LEU A 432 3.891 21.638 17.412 1.00 48.69 C ATOM 1395 CD1 LEU A 432 3.304 21.039 18.681 1.00 36.91 C ATOM 1396 CD2 LEU A 432 5.056 22.561 17.740 1.00 50.90 C ATOM 1397 H LEU A 432 2.887 21.641 14.631 1.00 0.00 H ATOM 1398 N PRO A 433 6.570 19.275 14.588 1.00 41.35 N ATOM 1399 CA PRO A 433 7.051 18.093 13.851 1.00 31.02 C ATOM 1400 C PRO A 433 6.107 16.907 13.931 1.00 39.74 C ATOM 1401 O PRO A 433 5.940 16.186 12.939 1.00 35.13 O ATOM 1402 CB PRO A 433 8.399 17.793 14.520 1.00 31.09 C ATOM 1403 CG PRO A 433 8.841 19.102 15.069 1.00 37.47 C ATOM 1404 CD PRO A 433 7.591 19.806 15.508 1.00 37.79 C ATOM 1405 N GLU A 434 5.477 16.686 15.087 1.00 30.04 N ATOM 1406 CA GLU A 434 4.527 15.588 15.221 1.00 90.78 C ATOM 1407 C GLU A 434 3.249 15.827 14.428 1.00 31.46 C ATOM 1408 O GLU A 434 2.481 14.883 14.217 1.00 46.13 O ATOM 1409 CB GLU A 434 4.189 15.361 16.695 1.00 59.97 C ATOM 1410 H GLU A 434 5.666 17.304 15.902 1.00 0.00 H ATOM 1411 N GLU A 435 3.005 17.060 13.982 1.00 32.45 N ATOM 1412 CA GLU A 435 1.804 17.390 13.229 1.00 32.78 C ATOM 1413 C GLU A 435 2.013 17.369 11.721 1.00 31.72 C ATOM 1414 O GLU A 435 1.029 17.445 10.977 1.00 27.90 O ATOM 1415 CB GLU A 435 1.283 18.774 13.637 1.00 32.47 C ATOM 1416 CG GLU A 435 1.197 19.005 15.137 1.00 44.85 C ATOM 1417 CD GLU A 435 0.675 20.388 15.480 1.00112.36 C ATOM 1418 OE1 GLU A 435 0.005 20.533 16.525 1.00 81.23 O ATOM 1419 OE2 GLU A 435 0.928 21.330 14.700 1.00 75.78 O ATOM 1420 H GLU A 435 3.697 17.811 14.179 1.00 0.00 H ATOM 1421 N GLU A 436 3.260 17.269 11.252 1.00 21.75 N ATOM 1422 CA GLU A 436 3.520 17.395 9.822 1.00 20.86 C ATOM 1423 C GLU A 436 2.944 16.226 9.032 1.00 28.93 C ATOM 1424 O GLU A 436 2.507 16.413 7.890 1.00 23.89 O ATOM 1425 CB GLU A 436 5.021 17.524 9.563 1.00 25.81 C ATOM 1426 CG GLU A 436 5.367 17.761 8.099 1.00 23.69 C ATOM 1427 CD GLU A 436 6.843 18.010 7.874 1.00 33.33 C ATOM 1428 OE1 GLU A 436 7.178 18.800 6.967 1.00 24.65 O ATOM 1429 OE2 GLU A 436 7.666 17.417 8.602 1.00 28.90 O ATOM 1430 H GLU A 436 4.048 17.101 11.909 1.00 0.00 H ATOM 1431 N GLU A 437 2.926 15.023 9.614 1.00 24.98 N ATOM 1432 CA GLU A 437 2.349 13.883 8.909 1.00 28.84 C ATOM 1433 C GLU A 437 0.869 14.098 8.621 1.00 23.74 C ATOM 1434 O GLU A 437 0.344 13.564 7.637 1.00 25.24 O ATOM 1435 CB GLU A 437 2.552 12.595 9.710 1.00 27.74 C ATOM 1436 CG GLU A 437 1.756 12.506 11.006 1.00 55.11 C ATOM 1437 CD GLU A 437 1.600 11.076 11.491 1.00 91.48 C ATOM 1438 OE1 GLU A 437 0.915 10.285 10.809 1.00 50.63 O ATOM 1439 OE2 GLU A 437 2.171 10.739 12.550 1.00 74.23 O ATOM 1440 H GLU A 437 3.322 14.900 10.568 1.00 0.00 H ATOM 1441 N TYR A 438 0.184 14.881 9.457 1.00 20.29 N ATOM 1442 CA TYR A 438 -1.224 15.170 9.220 1.00 23.78 C ATOM 1443 C TYR A 438 -1.409 16.277 8.192 1.00 22.33 C ATOM 1444 O TYR A 438 -2.397 16.268 7.448 1.00 20.97 O ATOM 1445 CB TYR A 438 -1.913 15.537 10.533 1.00 19.22 C ATOM 1446 CG TYR A 438 -1.874 14.426 11.556 1.00 21.31 C ATOM 1447 CD1 TYR A 438 -2.668 13.297 11.410 1.00 20.18 C ATOM 1448 CD2 TYR A 438 -1.040 14.504 12.664 1.00 24.31 C ATOM 1449 CE1 TYR A 438 -2.636 12.276 12.338 1.00 24.76 C ATOM 1450 CE2 TYR A 438 -1.001 13.487 13.598 1.00 22.97 C ATOM 1451 CZ TYR A 438 -1.801 12.376 13.431 1.00 29.82 C ATOM 1452 OH TYR A 438 -1.767 11.360 14.358 1.00 27.60 O ATOM 1453 HH TYR A 438 -0.850 10.991 14.408 1.00 0.00 H ATOM 1454 H TYR A 438 0.660 15.289 10.286 1.00 0.00 H ATOM 1455 N ALA A 439 -0.476 17.229 8.132 1.00 20.07 N ATOM 1456 CA ALA A 439 -0.507 18.232 7.076 1.00 20.48 C ATOM 1457 C ALA A 439 -0.246 17.627 5.703 1.00 21.82 C ATOM 1458 O ALA A 439 -0.669 18.202 4.695 1.00 24.28 O ATOM 1459 CB ALA A 439 0.514 19.330 7.364 1.00 21.09 C ATOM 1460 H ALA A 439 0.280 17.255 8.846 1.00 0.00 H ATOM 1461 N LEU A 440 0.431 16.482 5.642 1.00 19.21 N ATOM 1462 CA LEU A 440 0.749 15.819 4.385 1.00 20.28 C ATOM 1463 C LEU A 440 -0.111 14.592 4.125 1.00 23.09 C ATOM 1464 O LEU A 440 0.035 13.965 3.071 1.00 25.24 O ATOM 1465 CB LEU A 440 2.230 15.417 4.363 1.00 17.32 C ATOM 1466 CG LEU A 440 3.234 16.558 4.527 1.00 21.01 C ATOM 1467 CD1 LEU A 440 4.649 16.017 4.671 1.00 23.54 C ATOM 1468 CD2 LEU A 440 3.139 17.519 3.354 1.00 22.43 C ATOM 1469 H LEU A 440 0.746 16.042 6.530 1.00 0.00 H ATOM 1470 N SER A 441 -1.001 14.237 5.047 1.00 21.72 N ATOM 1471 CA SER A 441 -1.793 13.024 4.900 1.00 20.02 C ATOM 1472 C SER A 441 -2.791 13.157 3.757 1.00 26.51 C ATOM 1473 O SER A 441 -3.353 14.229 3.519 1.00 19.23 O ATOM 1474 CB SER A 441 -2.532 12.715 6.202 1.00 22.08 C ATOM 1475 OG SER A 441 -3.430 11.631 6.035 1.00 21.67 O ATOM 1476 HG SER A 441 -2.925 10.826 5.758 1.00 0.00 H ATOM 1477 H SER A 441 -1.134 14.836 5.887 1.00 0.00 H ATOM 1478 N GLY A 442 -3.008 12.050 3.042 1.00 20.58 N ATOM 1479 CA GLY A 442 -4.032 12.024 2.014 1.00 19.52 C ATOM 1480 C GLY A 442 -5.441 12.120 2.557 1.00 19.03 C ATOM 1481 O GLY A 442 -6.359 12.481 1.812 1.00 21.29 O ATOM 1482 H GLY A 442 -2.438 11.199 3.224 1.00 0.00 H ATOM 1483 N TRP A 443 -5.633 11.801 3.836 1.00 17.23 N ATOM 1484 CA TRP A 443 -6.929 11.929 4.486 1.00 18.31 C ATOM 1485 C TRP A 443 -7.179 13.329 5.031 1.00 20.53 C ATOM 1486 O TRP A 443 -8.295 13.613 5.481 1.00 20.90 O ATOM 1487 CB TRP A 443 -7.055 10.897 5.611 1.00 19.43 C ATOM 1488 CG TRP A 443 -7.086 9.489 5.099 1.00 20.87 C ATOM 1489 CD1 TRP A 443 -6.016 8.667 4.889 1.00 21.80 C ATOM 1490 CD2 TRP A 443 -8.247 8.741 4.718 1.00 20.20 C ATOM 1491 NE1 TRP A 443 -6.440 7.452 4.407 1.00 20.83 N ATOM 1492 CE2 TRP A 443 -7.805 7.472 4.292 1.00 19.22 C ATOM 1493 CE3 TRP A 443 -9.617 9.019 4.698 1.00 22.53 C ATOM 1494 CZ2 TRP A 443 -8.684 6.484 3.854 1.00 20.60 C ATOM 1495 CZ3 TRP A 443 -10.488 8.037 4.262 1.00 24.73 C ATOM 1496 CH2 TRP A 443 -10.019 6.785 3.845 1.00 25.58 C ATOM 1497 HE1 TRP A 443 -5.825 6.648 4.168 1.00 0.00 H ATOM 1498 H TRP A 443 -4.827 11.448 4.390 1.00 0.00 H ATOM 1499 N ASN A 444 -6.169 14.194 5.014 1.00 16.95 N ATOM 1500 CA ASN A 444 -6.388 15.618 5.219 1.00 13.69 C ATOM 1501 C ASN A 444 -7.265 16.146 4.092 1.00 18.81 C ATOM 1502 O ASN A 444 -6.911 16.028 2.916 1.00 19.15 O ATOM 1503 CB ASN A 444 -5.044 16.348 5.255 1.00 18.45 C ATOM 1504 CG ASN A 444 -5.169 17.811 5.646 1.00 17.21 C ATOM 1505 OD1 ASN A 444 -6.121 18.498 5.274 1.00 21.36 O ATOM 1506 ND2 ASN A 444 -4.188 18.299 6.397 1.00 20.70 N ATOM 1507 HD22 ASN A 444 -3.402 17.684 6.690 1.00 0.00 H ATOM 1508 HD21 ASN A 444 -4.206 19.296 6.692 1.00 0.00 H ATOM 1509 H ASN A 444 -5.203 13.846 4.851 1.00 0.00 H ATOM 1510 N LEU A 445 -8.414 16.723 4.453 1.00 17.89 N ATOM 1511 CA LEU A 445 -9.385 17.132 3.444 1.00 15.95 C ATOM 1512 C LEU A 445 -8.848 18.214 2.516 1.00 16.36 C ATOM 1513 O LEU A 445 -9.361 18.367 1.402 1.00 21.29 O ATOM 1514 CB LEU A 445 -10.674 17.607 4.117 1.00 18.51 C ATOM 1515 CG LEU A 445 -11.785 16.557 4.227 1.00 21.33 C ATOM 1516 CD1 LEU A 445 -11.320 15.320 4.984 1.00 25.47 C ATOM 1517 CD2 LEU A 445 -13.017 17.153 4.881 1.00 16.02 C ATOM 1518 H LEU A 445 -8.618 16.882 5.460 1.00 0.00 H ATOM 1519 N ASN A 446 -7.830 18.964 2.942 1.00 15.94 N ATOM 1520 CA ASN A 446 -7.197 19.933 2.058 1.00 20.29 C ATOM 1521 C ASN A 446 -6.344 19.275 0.982 1.00 20.96 C ATOM 1522 O ASN A 446 -5.933 19.960 0.038 1.00 23.07 O ATOM 1523 CB ASN A 446 -6.338 20.907 2.868 1.00 20.06 C ATOM 1524 CG ASN A 446 -7.134 21.642 3.926 1.00 22.68 C ATOM 1525 OD1 ASN A 446 -7.762 22.664 3.650 1.00 24.64 O ATOM 1526 ND2 ASN A 446 -7.109 21.124 5.149 1.00 19.74 N ATOM 1527 HD22 ASN A 446 -6.564 20.258 5.336 1.00 0.00 H ATOM 1528 HD21 ASN A 446 -7.634 21.584 5.920 1.00 0.00 H ATOM 1529 H ASN A 446 -7.484 18.855 3.917 1.00 0.00 H ATOM 1530 N ASN A 447 -6.071 17.975 1.097 1.00 17.32 N ATOM 1531 CA ASN A 447 -5.246 17.255 0.136 1.00 17.40 C ATOM 1532 C ASN A 447 -6.055 16.308 -0.741 1.00 21.05 C ATOM 1533 O ASN A 447 -5.470 15.472 -1.439 1.00 23.19 O ATOM 1534 CB ASN A 447 -4.141 16.487 0.866 1.00 17.87 C ATOM 1535 CG ASN A 447 -3.241 17.398 1.679 1.00 22.17 C ATOM 1536 OD1 ASN A 447 -3.015 18.552 1.313 1.00 24.60 O ATOM 1537 ND2 ASN A 447 -2.726 16.886 2.790 1.00 20.34 N ATOM 1538 HD22 ASN A 447 -2.944 15.906 3.061 1.00 0.00 H ATOM 1539 HD21 ASN A 447 -2.104 17.465 3.390 1.00 0.00 H ATOM 1540 H ASN A 447 -6.463 17.453 1.907 1.00 0.00 H ATOM 1541 N MET A 448 -7.381 16.414 -0.724 1.00 23.22 N ATOM 1542 CA MET A 448 -8.209 15.606 -1.608 1.00 23.56 C ATOM 1543 C MET A 448 -8.239 16.226 -3.006 1.00 22.08 C ATOM 1544 O MET A 448 -8.235 17.452 -3.140 1.00 21.60 O ATOM 1545 CB MET A 448 -9.633 15.495 -1.062 1.00 26.91 C ATOM 1546 CG MET A 448 -9.741 14.841 0.309 1.00 34.73 C ATOM 1547 SD MET A 448 -9.429 13.065 0.278 1.00 46.63 S ATOM 1548 CE MET A 448 -10.781 12.495 -0.747 1.00 32.43 C ATOM 1549 H MET A 448 -7.833 17.084 -0.069 1.00 0.00 H ATOM 1550 N PRO A 449 -8.260 15.409 -4.059 1.00 19.33 N ATOM 1551 CA PRO A 449 -8.380 15.964 -5.413 1.00 20.78 C ATOM 1552 C PRO A 449 -9.776 16.520 -5.648 1.00 23.19 C ATOM 1553 O PRO A 449 -10.777 15.894 -5.296 1.00 23.45 O ATOM 1554 CB PRO A 449 -8.092 14.761 -6.317 1.00 21.60 C ATOM 1555 CG PRO A 449 -8.487 13.577 -5.490 1.00 19.92 C ATOM 1556 CD PRO A 449 -8.155 13.939 -4.066 1.00 20.60 C ATOM 1557 N VAL A 450 -9.837 17.707 -6.250 1.00 23.89 N ATOM 1558 CA VAL A 450 -11.103 18.423 -6.378 1.00 24.10 C ATOM 1559 C VAL A 450 -11.360 18.839 -7.821 1.00 26.79 C ATOM 1560 O VAL A 450 -12.439 19.351 -8.143 1.00 26.30 O ATOM 1561 CB VAL A 450 -11.133 19.653 -5.452 1.00 26.67 C ATOM 1562 CG1 VAL A 450 -11.084 19.228 -3.992 1.00 26.46 C ATOM 1563 CG2 VAL A 450 -9.979 20.591 -5.780 1.00 29.59 C ATOM 1564 H VAL A 450 -8.969 18.130 -6.635 1.00 0.00 H ATOM 1565 N LEU A 451 -10.383 18.629 -8.698 1.00 26.18 N ATOM 1566 CA LEU A 451 -10.480 19.087 -10.079 1.00 29.45 C ATOM 1567 C LEU A 451 -11.089 17.992 -10.946 1.00 35.32 C ATOM 1568 O LEU A 451 -10.545 16.886 -11.035 1.00 43.69 O ATOM 1569 CB LEU A 451 -9.106 19.494 -10.609 1.00 28.48 C ATOM 1570 CG LEU A 451 -8.451 20.669 -9.880 1.00 31.38 C ATOM 1571 CD1 LEU A 451 -7.088 20.987 -10.473 1.00 35.57 C ATOM 1572 CD2 LEU A 451 -9.355 21.892 -9.917 1.00 32.29 C ATOM 1573 H LEU A 451 -9.527 18.125 -8.391 1.00 0.00 H ATOM 1574 N GLU A 452 -12.212 18.304 -11.588 1.00 39.01 N ATOM 1575 CA GLU A 452 -12.875 17.370 -12.486 1.00 38.26 C ATOM 1576 C GLU A 452 -12.328 17.524 -13.900 1.00 43.27 C ATOM 1577 O GLU A 452 -12.008 18.632 -14.339 1.00 40.13 O ATOM 1578 CB GLU A 452 -14.388 17.596 -12.482 1.00 43.26 C ATOM 1579 H GLU A 452 -12.629 19.246 -11.443 1.00 0.00 H ATOM 1580 N GLN A 453 -12.226 16.402 -14.608 1.00 37.64 N ATOM 1581 CA GLN A 453 -11.708 16.405 -15.969 1.00 66.16 C ATOM 1582 C GLN A 453 -12.758 16.943 -16.933 1.00 70.48 C ATOM 1583 O GLN A 453 -13.916 16.514 -16.907 1.00 91.40 O ATOM 1584 CB GLN A 453 -11.288 14.993 -16.380 1.00 84.38 C ATOM 1585 CG GLN A 453 -10.606 14.910 -17.737 1.00 85.26 C ATOM 1586 CD GLN A 453 -9.191 15.453 -17.715 1.00 85.10 C ATOM 1587 OE1 GLN A 453 -8.972 16.657 -17.844 1.00 98.29 O ATOM 1588 NE2 GLN A 453 -8.219 14.562 -17.548 1.00100.35 N ATOM 1589 HE22 GLN A 453 -8.450 13.554 -17.443 1.00 0.00 H ATOM 1590 HE21 GLN A 453 -7.227 14.873 -17.522 1.00 0.00 H ATOM 1591 H GLN A 453 -12.523 15.502 -14.179 1.00 0.00 H ATOM 1592 N SER A 454 -12.348 17.880 -17.784 1.00 44.69 N ATOM 1593 CA SER A 454 -13.237 18.452 -18.785 1.00 74.05 C ATOM 1594 C SER A 454 -12.396 19.181 -19.820 1.00 49.55 C ATOM 1595 O SER A 454 -11.237 19.526 -19.574 1.00 42.87 O ATOM 1596 CB SER A 454 -14.261 19.405 -18.157 1.00 60.26 C ATOM 1597 OG SER A 454 -13.624 20.532 -17.582 1.00 61.30 O ATOM 1598 HG SER A 454 -14.307 21.129 -17.185 1.00 0.00 H ATOM 1599 H SER A 454 -11.364 18.213 -17.733 1.00 0.00 H ATOM 1600 N VAL A 455 -12.999 19.410 -20.990 1.00 53.03 N ATOM 1601 CA VAL A 455 -12.314 20.173 -22.028 1.00 37.31 C ATOM 1602 C VAL A 455 -12.302 21.656 -21.684 1.00 49.69 C ATOM 1603 O VAL A 455 -11.374 22.380 -22.066 1.00 44.67 O ATOM 1604 CB VAL A 455 -12.961 19.918 -23.402 1.00 62.66 C ATOM 1605 CG1 VAL A 455 -12.664 18.503 -23.872 1.00 47.96 C ATOM 1606 CG2 VAL A 455 -14.461 20.158 -23.339 1.00 46.72 C ATOM 1607 H VAL A 455 -13.957 19.044 -21.161 1.00 0.00 H ATOM 1608 N LEU A 456 -13.321 22.135 -20.964 1.00 46.34 N ATOM 1609 CA LEU A 456 -13.316 23.523 -20.515 1.00 87.14 C ATOM 1610 C LEU A 456 -12.158 23.798 -19.567 1.00 91.83 C ATOM 1611 O LEU A 456 -11.687 24.936 -19.479 1.00 42.16 O ATOM 1612 CB LEU A 456 -14.646 23.868 -19.842 1.00 86.90 C ATOM 1613 CG LEU A 456 -15.817 24.209 -20.764 1.00 49.20 C ATOM 1614 CD1 LEU A 456 -17.081 24.449 -19.954 1.00 37.66 C ATOM 1615 CD2 LEU A 456 -15.486 25.425 -21.616 1.00 44.24 C ATOM 1616 H LEU A 456 -14.121 21.516 -20.723 1.00 0.00 H ATOM 1617 N ALA A 457 -11.684 22.774 -18.856 1.00 97.68 N ATOM 1618 CA ALA A 457 -10.539 22.939 -17.970 1.00100.54 C ATOM 1619 C ALA A 457 -9.239 23.175 -18.726 1.00106.24 C ATOM 1620 O ALA A 457 -8.253 23.592 -18.109 1.00 79.16 O ATOM 1621 CB ALA A 457 -10.398 21.716 -17.064 1.00 53.87 C ATOM 1622 H ALA A 457 -12.139 21.842 -18.935 1.00 0.00 H ATOM 1623 N HIS A 458 -9.212 22.922 -20.035 1.00 74.97 N ATOM 1624 CA HIS A 458 -8.024 23.157 -20.845 1.00 90.39 C ATOM 1625 C HIS A 458 -8.120 24.409 -21.706 1.00123.70 C ATOM 1626 O HIS A 458 -7.081 24.959 -22.086 1.00132.82 O ATOM 1627 CB HIS A 458 -7.749 21.949 -21.748 1.00 81.02 C ATOM 1628 CG HIS A 458 -7.489 20.680 -20.997 1.00106.67 C ATOM 1629 ND1 HIS A 458 -8.498 19.926 -20.438 1.00104.09 N ATOM 1630 CD2 HIS A 458 -6.334 20.035 -20.709 1.00112.14 C ATOM 1631 CE1 HIS A 458 -7.976 18.869 -19.840 1.00106.43 C ATOM 1632 NE2 HIS A 458 -6.664 18.912 -19.990 1.00116.22 N ATOM 1633 H HIS A 458 -10.066 22.545 -20.492 1.00 0.00 H ATOM 1634 N ILE A 459 -9.330 24.868 -22.022 1.00125.71 N ATOM 1635 CA ILE A 459 -9.516 26.071 -22.826 1.00140.61 C ATOM 1636 C ILE A 459 -9.698 27.268 -21.903 1.00136.76 C ATOM 1637 O ILE A 459 -10.021 28.373 -22.354 1.00130.14 O ATOM 1638 CB ILE A 459 -10.711 25.924 -23.785 1.00122.15 C ATOM 1639 H ILE A 459 -10.168 24.353 -21.685 1.00 0.00 H ATOM 1640 N ASN A 460 -9.492 27.055 -20.607 1.00123.54 N ATOM 1641 CA ASN A 460 -9.626 28.118 -19.616 1.00120.06 C ATOM 1642 C ASN A 460 -8.291 28.403 -18.936 1.00133.49 C ATOM 1643 O ASN A 460 -7.267 28.564 -19.600 1.00133.79 O ATOM 1644 CB ASN A 460 -10.684 27.746 -18.574 1.00103.68 C ATOM 1645 CG ASN A 460 -10.566 28.562 -17.303 1.00123.05 C ATOM 1646 OD1 ASN A 460 -11.056 29.688 -17.226 1.00124.73 O ATOM 1647 ND2 ASN A 460 -9.922 27.990 -16.291 1.00129.63 N ATOM 1648 HD22 ASN A 460 -9.524 27.036 -16.401 1.00 0.00 H ATOM 1649 HD21 ASN A 460 -9.816 28.497 -15.389 1.00 0.00 H ATOM 1650 H ASN A 460 -9.227 26.101 -20.289 1.00 0.00 H TER 1651 ASN A 460 ATOM 1652 N LYS A 467 -11.758 25.354 -4.975 1.00 51.42 N ATOM 1653 CA LYS A 467 -12.579 24.522 -4.102 1.00 47.89 C ATOM 1654 C LYS A 467 -11.811 24.117 -2.846 1.00 60.61 C ATOM 1655 O LYS A 467 -10.786 23.440 -2.926 1.00 32.91 O ATOM 1656 CB LYS A 467 -13.061 23.280 -4.852 1.00 51.63 C ATOM 1657 HN3 LYS A 467 -10.910 24.824 -5.260 1.00 0.00 H ATOM 1658 HN2 LYS A 467 -11.475 26.215 -4.465 1.00 0.00 H ATOM 1659 HN1 LYS A 467 -12.306 25.614 -5.820 1.00 0.00 H ATOM 1660 N VAL A 468 -12.312 24.537 -1.688 1.00 35.72 N ATOM 1661 CA VAL A 468 -11.656 24.272 -0.409 1.00 27.37 C ATOM 1662 C VAL A 468 -12.692 23.689 0.546 1.00 20.91 C ATOM 1663 O VAL A 468 -13.905 23.799 0.308 1.00 21.67 O ATOM 1664 CB VAL A 468 -11.008 25.550 0.174 1.00 26.64 C ATOM 1665 CG1 VAL A 468 -9.914 26.061 -0.753 1.00 39.36 C ATOM 1666 CG2 VAL A 468 -12.063 26.619 0.412 1.00 31.45 C ATOM 1667 H VAL A 468 -13.203 25.074 -1.693 1.00 0.00 H ATOM 1668 N PRO A 469 -12.245 23.039 1.624 1.00 21.26 N ATOM 1669 CA PRO A 469 -13.204 22.502 2.598 1.00 19.84 C ATOM 1670 C PRO A 469 -13.985 23.605 3.297 1.00 19.40 C ATOM 1671 O PRO A 469 -13.533 24.746 3.410 1.00 18.86 O ATOM 1672 CB PRO A 469 -12.317 21.737 3.589 1.00 19.72 C ATOM 1673 CG PRO A 469 -11.089 21.410 2.823 1.00 19.97 C ATOM 1674 CD PRO A 469 -10.874 22.563 1.890 1.00 23.33 C ATOM 1675 N TRP A 470 -15.176 23.246 3.770 1.00 17.04 N ATOM 1676 CA TRP A 470 -16.039 24.144 4.520 1.00 16.95 C ATOM 1677 C TRP A 470 -16.274 23.579 5.916 1.00 18.92 C ATOM 1678 O TRP A 470 -16.192 22.366 6.133 1.00 15.99 O ATOM 1679 CB TRP A 470 -17.376 24.358 3.800 1.00 21.27 C ATOM 1680 CG TRP A 470 -17.242 25.083 2.495 1.00 26.19 C ATOM 1681 CD1 TRP A 470 -16.769 24.575 1.321 1.00 57.09 C ATOM 1682 CD2 TRP A 470 -17.591 26.447 2.230 1.00 46.48 C ATOM 1683 NE1 TRP A 470 -16.798 25.539 0.342 1.00 49.79 N ATOM 1684 CE2 TRP A 470 -17.299 26.697 0.874 1.00 43.89 C ATOM 1685 CE3 TRP A 470 -18.121 27.481 3.007 1.00 68.93 C ATOM 1686 CZ2 TRP A 470 -17.520 27.938 0.280 1.00 54.05 C ATOM 1687 CZ3 TRP A 470 -18.339 28.713 2.415 1.00 47.22 C ATOM 1688 CH2 TRP A 470 -18.039 28.931 1.065 1.00 53.78 C ATOM 1689 HE1 TRP A 470 -16.490 25.410 -0.643 1.00 0.00 H ATOM 1690 H TRP A 470 -15.506 22.275 3.594 1.00 0.00 H ATOM 1691 N LEU A 471 -16.570 24.468 6.860 1.00 14.77 N ATOM 1692 CA LEU A 471 -16.662 24.114 8.268 1.00 14.65 C ATOM 1693 C LEU A 471 -18.097 24.241 8.767 1.00 15.46 C ATOM 1694 O LEU A 471 -18.859 25.097 8.310 1.00 15.72 O ATOM 1695 CB LEU A 471 -15.741 25.003 9.108 1.00 14.96 C ATOM 1696 CG LEU A 471 -14.288 25.048 8.634 1.00 21.24 C ATOM 1697 CD1 LEU A 471 -13.477 26.002 9.492 1.00 23.03 C ATOM 1698 CD2 LEU A 471 -13.675 23.657 8.645 1.00 20.99 C ATOM 1699 H LEU A 471 -16.742 25.455 6.581 1.00 0.00 H ATOM 1700 N TYR A 472 -18.454 23.381 9.720 1.00 13.44 N ATOM 1701 CA TYR A 472 -19.814 23.319 10.246 1.00 15.34 C ATOM 1702 C TYR A 472 -19.760 23.149 11.756 1.00 16.64 C ATOM 1703 O TYR A 472 -19.266 22.131 12.250 1.00 16.36 O ATOM 1704 CB TYR A 472 -20.602 22.175 9.599 1.00 12.30 C ATOM 1705 CG TYR A 472 -20.746 22.323 8.101 1.00 11.36 C ATOM 1706 CD1 TYR A 472 -21.819 23.014 7.554 1.00 18.34 C ATOM 1707 CD2 TYR A 472 -19.803 21.782 7.237 1.00 15.96 C ATOM 1708 CE1 TYR A 472 -21.951 23.157 6.188 1.00 17.90 C ATOM 1709 CE2 TYR A 472 -19.927 21.921 5.870 1.00 20.56 C ATOM 1710 CZ TYR A 472 -21.004 22.609 5.352 1.00 22.46 C ATOM 1711 OH TYR A 472 -21.133 22.751 3.990 1.00 23.42 O ATOM 1712 HH TYR A 472 -21.193 21.856 3.570 1.00 0.00 H ATOM 1713 H TYR A 472 -17.738 22.731 10.103 1.00 0.00 H ATOM 1714 N VAL A 473 -20.268 24.141 12.482 1.00 13.85 N ATOM 1715 CA VAL A 473 -20.311 24.125 13.940 1.00 14.49 C ATOM 1716 C VAL A 473 -21.742 23.811 14.352 1.00 20.26 C ATOM 1717 O VAL A 473 -22.644 24.636 14.173 1.00 20.46 O ATOM 1718 CB VAL A 473 -19.843 25.459 14.533 1.00 17.13 C ATOM 1719 CG1 VAL A 473 -19.755 25.360 16.049 1.00 17.45 C ATOM 1720 CG2 VAL A 473 -18.506 25.867 13.933 1.00 20.38 C ATOM 1721 H VAL A 473 -20.654 24.969 11.985 1.00 0.00 H ATOM 1722 N GLY A 474 -21.956 22.627 14.920 1.00 13.57 N ATOM 1723 CA GLY A 474 -23.288 22.145 15.200 1.00 14.95 C ATOM 1724 C GLY A 474 -23.691 22.245 16.658 1.00 13.70 C ATOM 1725 O GLY A 474 -22.862 22.404 17.552 1.00 13.92 O ATOM 1726 H GLY A 474 -21.141 22.032 15.169 1.00 0.00 H ATOM 1727 N MET A 475 -25.001 22.166 16.877 1.00 13.20 N ATOM 1728 CA MET A 475 -25.584 22.022 18.201 1.00 11.16 C ATOM 1729 C MET A 475 -26.709 21.004 18.105 1.00 14.55 C ATOM 1730 O MET A 475 -27.062 20.542 17.017 1.00 15.23 O ATOM 1731 CB MET A 475 -26.106 23.357 18.750 1.00 12.41 C ATOM 1732 CG MET A 475 -27.338 23.886 18.038 1.00 14.58 C ATOM 1733 SD MET A 475 -28.016 25.370 18.812 1.00 15.43 S ATOM 1734 CE MET A 475 -28.752 24.679 20.288 1.00 18.47 C ATOM 1735 H MET A 475 -25.641 22.210 16.059 1.00 0.00 H ATOM 1736 N CYS A 476 -27.272 20.653 19.258 1.00 15.52 N ATOM 1737 CA CYS A 476 -28.362 19.688 19.289 1.00 10.52 C ATOM 1738 C CYS A 476 -29.523 20.170 18.426 1.00 16.19 C ATOM 1739 O CYS A 476 -29.975 21.311 18.556 1.00 15.79 O ATOM 1740 CB CYS A 476 -28.824 19.462 20.730 1.00 11.63 C ATOM 1741 SG CYS A 476 -30.035 18.135 20.935 1.00 15.52 S ATOM 1742 H CYS A 476 -26.930 21.072 20.146 1.00 0.00 H ATOM 1743 N PHE A 477 -29.977 19.299 17.523 1.00 11.64 N ATOM 1744 CA PHE A 477 -31.110 19.440 16.614 1.00 16.88 C ATOM 1745 C PHE A 477 -30.778 20.247 15.356 1.00 14.90 C ATOM 1746 O PHE A 477 -31.610 20.295 14.449 1.00 15.62 O ATOM 1747 CB PHE A 477 -32.357 20.059 17.278 1.00 14.20 C ATOM 1748 CG PHE A 477 -32.912 19.244 18.411 1.00 15.24 C ATOM 1749 CD1 PHE A 477 -32.896 17.859 18.364 1.00 12.23 C ATOM 1750 CD2 PHE A 477 -33.450 19.866 19.525 1.00 16.42 C ATOM 1751 CE1 PHE A 477 -33.409 17.109 19.409 1.00 16.31 C ATOM 1752 CE2 PHE A 477 -33.963 19.123 20.572 1.00 14.27 C ATOM 1753 CZ PHE A 477 -33.942 17.743 20.514 1.00 17.84 C ATOM 1754 H PHE A 477 -29.455 18.402 17.458 1.00 0.00 H ATOM 1755 N SER A 478 -29.614 20.888 15.263 1.00 12.65 N ATOM 1756 CA SER A 478 -29.239 21.538 14.013 1.00 12.02 C ATOM 1757 C SER A 478 -29.061 20.481 12.930 1.00 14.33 C ATOM 1758 O SER A 478 -28.508 19.407 13.179 1.00 14.38 O ATOM 1759 CB SER A 478 -27.958 22.354 14.186 1.00 15.03 C ATOM 1760 OG SER A 478 -26.834 21.521 14.407 1.00 19.44 O ATOM 1761 HG SER A 478 -26.977 20.986 15.228 1.00 0.00 H ATOM 1762 H SER A 478 -28.973 20.925 16.081 1.00 0.00 H ATOM 1763 N SER A 479 -29.540 20.781 11.724 1.00 13.19 N ATOM 1764 CA SER A 479 -29.749 19.732 10.737 1.00 11.00 C ATOM 1765 C SER A 479 -29.449 20.233 9.331 1.00 12.13 C ATOM 1766 O SER A 479 -29.327 21.434 9.081 1.00 14.34 O ATOM 1767 CB SER A 479 -31.186 19.203 10.803 1.00 16.86 C ATOM 1768 OG SER A 479 -32.114 20.227 10.487 1.00 17.43 O ATOM 1769 HG SER A 479 -32.017 20.970 11.134 1.00 0.00 H ATOM 1770 H SER A 479 -29.765 21.768 11.487 1.00 0.00 H ATOM 1771 N PHE A 480 -29.334 19.273 8.412 1.00 9.83 N ATOM 1772 CA PHE A 480 -29.282 19.526 6.979 1.00 10.70 C ATOM 1773 C PHE A 480 -30.291 18.613 6.294 1.00 15.78 C ATOM 1774 O PHE A 480 -30.429 17.442 6.658 1.00 14.68 O ATOM 1775 CB PHE A 480 -27.863 19.317 6.403 1.00 16.39 C ATOM 1776 CG PHE A 480 -27.224 18.001 6.771 1.00 13.61 C ATOM 1777 CD1 PHE A 480 -26.683 17.802 8.032 1.00 15.89 C ATOM 1778 CD2 PHE A 480 -27.125 16.978 5.840 1.00 18.30 C ATOM 1779 CE1 PHE A 480 -26.084 16.602 8.367 1.00 16.69 C ATOM 1780 CE2 PHE A 480 -26.519 15.777 6.170 1.00 16.69 C ATOM 1781 CZ PHE A 480 -26.002 15.588 7.434 1.00 18.08 C ATOM 1782 H PHE A 480 -29.278 18.287 8.738 1.00 0.00 H ATOM 1783 N CYS A 481 -31.018 19.147 5.320 1.00 18.34 N ATOM 1784 CA CYS A 481 -32.102 18.377 4.733 1.00 8.23 C ATOM 1785 C CYS A 481 -31.605 17.559 3.541 1.00 25.56 C ATOM 1786 O CYS A 481 -30.444 17.638 3.131 1.00 6.46 O ATOM 1787 CB CYS A 481 -33.259 19.294 4.342 1.00 11.98 C ATOM 1788 SG CYS A 481 -32.808 20.657 3.265 1.00 14.62 S ATOM 1789 H CYS A 481 -30.814 20.108 4.980 1.00 0.00 H ATOM 1790 N TRP A 482 -32.510 16.759 2.982 1.00 14.37 N ATOM 1791 CA TRP A 482 -32.163 15.814 1.927 1.00 11.93 C ATOM 1792 C TRP A 482 -31.666 16.542 0.685 1.00 10.70 C ATOM 1793 O TRP A 482 -32.339 17.437 0.166 1.00 14.26 O ATOM 1794 CB TRP A 482 -33.376 14.956 1.568 1.00 13.28 C ATOM 1795 CG TRP A 482 -33.771 13.977 2.624 1.00 11.81 C ATOM 1796 CD1 TRP A 482 -34.781 14.110 3.530 1.00 17.77 C ATOM 1797 CD2 TRP A 482 -33.167 12.706 2.878 1.00 12.82 C ATOM 1798 NE1 TRP A 482 -34.843 12.999 4.335 1.00 15.68 N ATOM 1799 CE2 TRP A 482 -33.862 12.122 3.955 1.00 17.63 C ATOM 1800 CE3 TRP A 482 -32.105 12.005 2.300 1.00 14.35 C ATOM 1801 CZ2 TRP A 482 -33.528 10.871 4.467 1.00 16.01 C ATOM 1802 CZ3 TRP A 482 -31.775 10.764 2.809 1.00 13.98 C ATOM 1803 CH2 TRP A 482 -32.484 10.209 3.881 1.00 15.09 C ATOM 1804 HE1 TRP A 482 -35.524 12.848 5.107 1.00 0.00 H ATOM 1805 H TRP A 482 -33.496 16.809 3.308 1.00 0.00 H ATOM 1806 N HIS A 483 -30.494 16.141 0.199 1.00 10.70 N ATOM 1807 CA HIS A 483 -29.910 16.772 -0.977 1.00 14.13 C ATOM 1808 C HIS A 483 -28.819 15.872 -1.537 1.00 13.47 C ATOM 1809 O HIS A 483 -28.359 14.932 -0.885 1.00 12.76 O ATOM 1810 CB HIS A 483 -29.343 18.155 -0.642 1.00 12.74 C ATOM 1811 CG HIS A 483 -28.086 18.110 0.170 1.00 9.34 C ATOM 1812 ND1 HIS A 483 -28.079 17.812 1.516 1.00 11.18 N ATOM 1813 CD2 HIS A 483 -26.794 18.321 -0.175 1.00 11.31 C ATOM 1814 CE1 HIS A 483 -26.837 17.844 1.965 1.00 11.91 C ATOM 1815 NE2 HIS A 483 -26.038 18.151 0.959 1.00 13.31 N ATOM 1816 H HIS A 483 -29.986 15.363 0.667 1.00 0.00 H ATOM 1817 N ILE A 484 -28.418 16.176 -2.769 1.00 12.92 N ATOM 1818 CA ILE A 484 -27.228 15.603 -3.377 1.00 10.49 C ATOM 1819 C ILE A 484 -26.256 16.741 -3.656 1.00 11.22 C ATOM 1820 O ILE A 484 -26.635 17.914 -3.718 1.00 14.92 O ATOM 1821 CB ILE A 484 -27.534 14.818 -4.669 1.00 13.07 C ATOM 1822 CG1 ILE A 484 -28.377 15.666 -5.624 1.00 14.42 C ATOM 1823 CG2 ILE A 484 -28.224 13.503 -4.346 1.00 14.31 C ATOM 1824 CD1 ILE A 484 -28.655 14.999 -6.950 1.00 16.10 C ATOM 1825 H ILE A 484 -28.981 16.854 -3.322 1.00 0.00 H ATOM 1826 N GLU A 485 -24.988 16.382 -3.818 1.00 12.90 N ATOM 1827 CA GLU A 485 -23.959 17.376 -4.073 1.00 14.42 C ATOM 1828 C GLU A 485 -24.031 17.866 -5.516 1.00 18.11 C ATOM 1829 O GLU A 485 -24.559 17.190 -6.404 1.00 17.87 O ATOM 1830 CB GLU A 485 -22.576 16.796 -3.779 1.00 14.75 C ATOM 1831 CG GLU A 485 -22.411 16.325 -2.345 1.00 15.87 C ATOM 1832 CD GLU A 485 -22.531 17.461 -1.348 1.00 19.26 C ATOM 1833 OE1 GLU A 485 -21.591 18.279 -1.263 1.00 27.04 O ATOM 1834 OE2 GLU A 485 -23.570 17.545 -0.659 1.00 16.24 O ATOM 1835 H GLU A 485 -24.728 15.377 -3.762 1.00 0.00 H ATOM 1836 N ASP A 486 -23.495 19.064 -5.742 1.00 18.35 N ATOM 1837 CA ASP A 486 -23.435 19.596 -7.096 1.00 18.28 C ATOM 1838 C ASP A 486 -22.618 18.672 -7.988 1.00 16.68 C ATOM 1839 O ASP A 486 -21.617 18.089 -7.559 1.00 16.72 O ATOM 1840 CB ASP A 486 -22.829 21.001 -7.104 1.00 21.93 C ATOM 1841 CG ASP A 486 -23.663 22.004 -6.334 1.00 44.14 C ATOM 1842 OD1 ASP A 486 -23.148 23.104 -6.042 1.00 43.91 O ATOM 1843 OD2 ASP A 486 -24.827 21.688 -6.005 1.00 32.72 O ATOM 1844 H ASP A 486 -23.118 19.621 -4.949 1.00 0.00 H ATOM 1845 N HIS A 487 -23.064 18.531 -9.236 1.00 17.04 N ATOM 1846 CA HIS A 487 -22.410 17.698 -10.242 1.00 16.41 C ATOM 1847 C HIS A 487 -22.341 16.231 -9.825 1.00 13.90 C ATOM 1848 O HIS A 487 -21.487 15.486 -10.318 1.00 16.96 O ATOM 1849 CB HIS A 487 -21.007 18.226 -10.568 1.00 26.62 C ATOM 1850 CG HIS A 487 -20.909 19.721 -10.564 1.00 34.10 C ATOM 1851 ND1 HIS A 487 -21.519 20.510 -11.515 1.00 42.78 N ATOM 1852 CD2 HIS A 487 -20.276 20.570 -9.720 1.00 36.30 C ATOM 1853 CE1 HIS A 487 -21.264 21.781 -11.259 1.00 56.73 C ATOM 1854 NE2 HIS A 487 -20.511 21.845 -10.175 1.00 49.26 N ATOM 1855 H HIS A 487 -23.927 19.043 -9.509 1.00 0.00 H ATOM 1856 N TRP A 488 -23.235 15.806 -8.925 1.00 16.39 N ATOM 1857 CA TRP A 488 -23.275 14.429 -8.420 1.00 13.83 C ATOM 1858 C TRP A 488 -21.936 14.020 -7.812 1.00 13.01 C ATOM 1859 O TRP A 488 -21.510 12.869 -7.919 1.00 16.62 O ATOM 1860 CB TRP A 488 -23.689 13.442 -9.514 1.00 15.37 C ATOM 1861 CG TRP A 488 -25.104 13.585 -9.981 1.00 14.84 C ATOM 1862 CD1 TRP A 488 -26.011 14.526 -9.588 1.00 15.77 C ATOM 1863 CD2 TRP A 488 -25.776 12.754 -10.935 1.00 16.64 C ATOM 1864 NE1 TRP A 488 -27.206 14.332 -10.240 1.00 15.16 N ATOM 1865 CE2 TRP A 488 -27.087 13.250 -11.072 1.00 12.72 C ATOM 1866 CE3 TRP A 488 -25.394 11.638 -11.687 1.00 14.26 C ATOM 1867 CZ2 TRP A 488 -28.018 12.670 -11.930 1.00 14.63 C ATOM 1868 CZ3 TRP A 488 -26.321 11.063 -12.539 1.00 17.65 C ATOM 1869 CH2 TRP A 488 -27.617 11.580 -12.653 1.00 18.30 C ATOM 1870 HE1 TRP A 488 -28.061 14.912 -10.121 1.00 0.00 H ATOM 1871 H TRP A 488 -23.936 16.485 -8.566 1.00 0.00 H ATOM 1872 N SER A 489 -21.268 14.965 -7.162 1.00 12.03 N ATOM 1873 CA SER A 489 -19.916 14.728 -6.684 1.00 12.37 C ATOM 1874 C SER A 489 -19.911 13.864 -5.431 1.00 12.86 C ATOM 1875 O SER A 489 -20.879 13.826 -4.665 1.00 16.34 O ATOM 1876 CB SER A 489 -19.212 16.054 -6.391 1.00 22.83 C ATOM 1877 OG SER A 489 -17.933 15.834 -5.822 1.00 22.02 O ATOM 1878 HG SER A 489 -18.032 15.332 -4.974 1.00 0.00 H ATOM 1879 H SER A 489 -21.718 15.887 -6.992 1.00 0.00 H ATOM 1880 N TYR A 490 -18.803 13.150 -5.241 1.00 11.67 N ATOM 1881 CA TYR A 490 -18.481 12.593 -3.939 1.00 14.23 C ATOM 1882 C TYR A 490 -18.374 13.710 -2.906 1.00 11.94 C ATOM 1883 O TYR A 490 -18.161 14.881 -3.233 1.00 17.43 O ATOM 1884 CB TYR A 490 -17.145 11.850 -3.976 1.00 14.32 C ATOM 1885 CG TYR A 490 -17.143 10.445 -4.541 1.00 13.21 C ATOM 1886 CD1 TYR A 490 -17.302 9.341 -3.711 1.00 18.02 C ATOM 1887 CD2 TYR A 490 -16.923 10.222 -5.893 1.00 20.27 C ATOM 1888 CE1 TYR A 490 -17.274 8.054 -4.220 1.00 23.21 C ATOM 1889 CE2 TYR A 490 -16.893 8.939 -6.410 1.00 28.89 C ATOM 1890 CZ TYR A 490 -17.070 7.860 -5.570 1.00 29.13 C ATOM 1891 OH TYR A 490 -17.043 6.583 -6.081 1.00 34.20 O ATOM 1892 HH TYR A 490 -17.760 6.484 -6.756 1.00 0.00 H ATOM 1893 H TYR A 490 -18.157 12.988 -6.040 1.00 0.00 H ATOM 1894 N SER A 491 -18.503 13.332 -1.638 1.00 10.40 N ATOM 1895 CA SER A 491 -18.136 14.215 -0.543 1.00 11.56 C ATOM 1896 C SER A 491 -17.557 13.375 0.583 1.00 13.04 C ATOM 1897 O SER A 491 -17.927 12.212 0.766 1.00 15.53 O ATOM 1898 CB SER A 491 -19.325 15.040 -0.030 1.00 19.81 C ATOM 1899 OG SER A 491 -19.953 14.407 1.072 1.00 16.10 O ATOM 1900 HG SER A 491 -20.283 13.516 0.795 1.00 0.00 H ATOM 1901 H SER A 491 -18.874 12.384 -1.425 1.00 0.00 H ATOM 1902 N ILE A 492 -16.629 13.969 1.324 1.00 12.33 N ATOM 1903 CA ILE A 492 -16.051 13.345 2.505 1.00 11.92 C ATOM 1904 C ILE A 492 -16.188 14.326 3.659 1.00 15.78 C ATOM 1905 O ILE A 492 -16.011 15.537 3.483 1.00 14.49 O ATOM 1906 CB ILE A 492 -14.581 12.925 2.278 1.00 13.22 C ATOM 1907 CG1 ILE A 492 -14.053 12.128 3.474 1.00 15.27 C ATOM 1908 CG2 ILE A 492 -13.702 14.133 1.979 1.00 19.04 C ATOM 1909 CD1 ILE A 492 -12.755 11.402 3.196 1.00 20.31 C ATOM 1910 H ILE A 492 -16.302 14.917 1.050 1.00 0.00 H ATOM 1911 N ASN A 493 -16.534 13.807 4.833 1.00 11.58 N ATOM 1912 CA ASN A 493 -16.804 14.627 6.005 1.00 9.85 C ATOM 1913 C ASN A 493 -16.021 14.073 7.184 1.00 10.60 C ATOM 1914 O ASN A 493 -16.022 12.861 7.415 1.00 16.50 O ATOM 1915 CB ASN A 493 -18.303 14.649 6.323 1.00 24.00 C ATOM 1916 CG ASN A 493 -18.653 15.613 7.442 1.00 8.50 C ATOM 1917 OD1 ASN A 493 -18.346 15.371 8.609 1.00 11.97 O ATOM 1918 ND2 ASN A 493 -19.323 16.704 7.091 1.00 11.57 N ATOM 1919 HD22 ASN A 493 -19.562 16.869 6.092 1.00 0.00 H ATOM 1920 HD21 ASN A 493 -19.609 17.394 7.815 1.00 0.00 H ATOM 1921 H ASN A 493 -16.615 12.774 4.917 1.00 0.00 H ATOM 1922 N TYR A 494 -15.361 14.958 7.925 1.00 14.57 N ATOM 1923 CA TYR A 494 -14.597 14.585 9.108 1.00 12.37 C ATOM 1924 C TYR A 494 -15.113 15.363 10.309 1.00 10.83 C ATOM 1925 O TYR A 494 -15.229 16.592 10.256 1.00 14.79 O ATOM 1926 CB TYR A 494 -13.101 14.846 8.909 1.00 12.94 C ATOM 1927 CG TYR A 494 -12.237 14.400 10.070 1.00 11.94 C ATOM 1928 CD1 TYR A 494 -11.981 13.054 10.291 1.00 12.66 C ATOM 1929 CD2 TYR A 494 -11.674 15.325 10.942 1.00 13.82 C ATOM 1930 CE1 TYR A 494 -11.192 12.638 11.346 1.00 17.15 C ATOM 1931 CE2 TYR A 494 -10.881 14.918 12.001 1.00 17.86 C ATOM 1932 CZ TYR A 494 -10.645 13.574 12.197 1.00 17.25 C ATOM 1933 OH TYR A 494 -9.859 13.162 13.249 1.00 17.11 O ATOM 1934 HH TYR A 494 -10.266 13.462 14.100 1.00 0.00 H ATOM 1935 H TYR A 494 -15.391 15.960 7.648 1.00 0.00 H ATOM 1936 N LEU A 495 -15.425 14.647 11.385 1.00 10.24 N ATOM 1937 CA LEU A 495 -15.860 15.267 12.631 1.00 11.53 C ATOM 1938 C LEU A 495 -14.631 15.467 13.511 1.00 13.12 C ATOM 1939 O LEU A 495 -14.086 14.502 14.057 1.00 16.18 O ATOM 1940 CB LEU A 495 -16.912 14.408 13.327 1.00 11.77 C ATOM 1941 CG LEU A 495 -17.670 15.096 14.465 1.00 13.89 C ATOM 1942 CD1 LEU A 495 -18.453 16.288 13.935 1.00 16.45 C ATOM 1943 CD2 LEU A 495 -18.592 14.121 15.176 1.00 17.97 C ATOM 1944 H LEU A 495 -15.357 13.610 11.336 1.00 0.00 H ATOM 1945 N HIS A 496 -14.187 16.720 13.634 1.00 14.76 N ATOM 1946 CA HIS A 496 -12.965 17.006 14.380 1.00 15.65 C ATOM 1947 C HIS A 496 -13.141 16.715 15.866 1.00 20.10 C ATOM 1948 O HIS A 496 -12.292 16.061 16.483 1.00 19.42 O ATOM 1949 CB HIS A 496 -12.542 18.458 14.158 1.00 13.85 C ATOM 1950 CG HIS A 496 -11.916 18.705 12.821 1.00 15.13 C ATOM 1951 ND1 HIS A 496 -10.613 18.357 12.535 1.00 17.05 N ATOM 1952 CD2 HIS A 496 -12.412 19.264 11.692 1.00 12.93 C ATOM 1953 CE1 HIS A 496 -10.335 18.691 11.287 1.00 15.50 C ATOM 1954 NE2 HIS A 496 -11.409 19.244 10.754 1.00 15.05 N ATOM 1955 H HIS A 496 -14.717 17.500 13.194 1.00 0.00 H ATOM 1956 N TRP A 497 -14.232 17.196 16.459 1.00 17.56 N ATOM 1957 CA TRP A 497 -14.501 16.944 17.869 1.00 11.94 C ATOM 1958 C TRP A 497 -15.976 17.199 18.147 1.00 13.05 C ATOM 1959 O TRP A 497 -16.705 17.735 17.309 1.00 15.52 O ATOM 1960 CB TRP A 497 -13.616 17.809 18.778 1.00 15.57 C ATOM 1961 CG TRP A 497 -13.512 19.257 18.377 1.00 16.10 C ATOM 1962 CD1 TRP A 497 -12.469 19.853 17.730 1.00 19.30 C ATOM 1963 CD2 TRP A 497 -14.480 20.291 18.611 1.00 14.89 C ATOM 1964 NE1 TRP A 497 -12.727 21.189 17.542 1.00 18.97 N ATOM 1965 CE2 TRP A 497 -13.954 21.483 18.074 1.00 19.25 C ATOM 1966 CE3 TRP A 497 -15.739 20.323 19.220 1.00 14.89 C ATOM 1967 CZ2 TRP A 497 -14.643 22.694 18.127 1.00 19.26 C ATOM 1968 CZ3 TRP A 497 -16.421 21.526 19.269 1.00 17.74 C ATOM 1969 CH2 TRP A 497 -15.873 22.694 18.725 1.00 18.30 C ATOM 1970 HE1 TRP A 497 -12.094 21.867 17.072 1.00 0.00 H ATOM 1971 H TRP A 497 -14.905 17.763 15.905 1.00 0.00 H ATOM 1972 N GLY A 498 -16.405 16.797 19.335 1.00 15.87 N ATOM 1973 CA GLY A 498 -17.744 17.067 19.814 1.00 15.39 C ATOM 1974 C GLY A 498 -18.633 15.836 19.792 1.00 14.01 C ATOM 1975 O GLY A 498 -18.191 14.703 19.576 1.00 16.14 O ATOM 1976 H GLY A 498 -15.753 16.266 19.948 1.00 0.00 H ATOM 1977 N GLU A 499 -19.917 16.086 20.031 1.00 14.24 N ATOM 1978 CA GLU A 499 -20.931 15.047 20.060 1.00 9.25 C ATOM 1979 C GLU A 499 -21.246 14.576 18.641 1.00 12.08 C ATOM 1980 O GLU A 499 -20.971 15.284 17.669 1.00 12.84 O ATOM 1981 CB GLU A 499 -22.178 15.576 20.764 1.00 14.51 C ATOM 1982 CG GLU A 499 -21.957 15.800 22.254 1.00 21.33 C ATOM 1983 CD GLU A 499 -23.217 16.204 22.987 1.00 21.88 C ATOM 1984 OE1 GLU A 499 -23.369 17.406 23.288 1.00 24.87 O ATOM 1985 OE2 GLU A 499 -24.055 15.319 23.263 1.00 37.86 O ATOM 1986 H GLU A 499 -20.208 17.069 20.205 1.00 0.00 H ATOM 1987 N PRO A 500 -21.808 13.376 18.492 1.00 12.39 N ATOM 1988 CA PRO A 500 -21.914 12.771 17.159 1.00 11.32 C ATOM 1989 C PRO A 500 -22.830 13.537 16.214 1.00 11.84 C ATOM 1990 O PRO A 500 -23.685 14.329 16.616 1.00 13.75 O ATOM 1991 CB PRO A 500 -22.476 11.373 17.445 1.00 15.01 C ATOM 1992 CG PRO A 500 -22.127 11.104 18.868 1.00 12.51 C ATOM 1993 CD PRO A 500 -22.216 12.433 19.550 1.00 13.74 C ATOM 1994 N LYS A 501 -22.628 13.275 14.926 1.00 13.74 N ATOM 1995 CA LYS A 501 -23.484 13.764 13.853 1.00 13.61 C ATOM 1996 C LYS A 501 -24.224 12.567 13.269 1.00 10.69 C ATOM 1997 O LYS A 501 -23.593 11.601 12.827 1.00 13.33 O ATOM 1998 CB LYS A 501 -22.660 14.478 12.780 1.00 11.37 C ATOM 1999 CG LYS A 501 -23.473 15.072 11.638 1.00 13.79 C ATOM 2000 CD LYS A 501 -22.563 15.594 10.532 1.00 12.14 C ATOM 2001 CE LYS A 501 -21.661 16.714 11.025 1.00 14.18 C ATOM 2002 NZ LYS A 501 -22.413 17.978 11.263 1.00 15.50 N ATOM 2003 HZ1 LYS A 501 -22.858 18.288 10.375 1.00 0.00 H ATOM 2004 HZ2 LYS A 501 -23.147 17.813 11.981 1.00 0.00 H ATOM 2005 HZ3 LYS A 501 -21.757 18.712 11.598 1.00 0.00 H ATOM 2006 H LYS A 501 -21.810 12.686 14.669 1.00 0.00 H ATOM 2007 N THR A 502 -25.552 12.620 13.288 1.00 12.10 N ATOM 2008 CA THR A 502 -26.375 11.514 12.816 1.00 10.47 C ATOM 2009 C THR A 502 -26.692 11.704 11.338 1.00 11.40 C ATOM 2010 O THR A 502 -27.134 12.781 10.928 1.00 12.33 O ATOM 2011 CB THR A 502 -27.666 11.414 13.629 1.00 12.11 C ATOM 2012 OG1 THR A 502 -27.347 11.119 14.996 1.00 15.05 O ATOM 2013 CG2 THR A 502 -28.565 10.316 13.076 1.00 14.97 C ATOM 2014 HG1 THR A 502 -26.860 10.259 15.042 1.00 0.00 H ATOM 2015 H THR A 502 -26.018 13.476 13.651 1.00 0.00 H ATOM 2016 N TRP A 503 -26.466 10.656 10.546 1.00 10.13 N ATOM 2017 CA TRP A 503 -26.611 10.708 9.099 1.00 11.30 C ATOM 2018 C TRP A 503 -27.715 9.773 8.626 1.00 11.73 C ATOM 2019 O TRP A 503 -27.996 8.746 9.249 1.00 13.11 O ATOM 2020 CB TRP A 503 -25.310 10.310 8.391 1.00 9.90 C ATOM 2021 CG TRP A 503 -24.181 11.273 8.555 1.00 11.89 C ATOM 2022 CD1 TRP A 503 -23.444 11.489 9.681 1.00 11.60 C ATOM 2023 CD2 TRP A 503 -23.636 12.131 7.547 1.00 10.14 C ATOM 2024 NE1 TRP A 503 -22.482 12.438 9.441 1.00 11.78 N ATOM 2025 CE2 TRP A 503 -22.579 12.849 8.137 1.00 12.14 C ATOM 2026 CE3 TRP A 503 -23.945 12.367 6.203 1.00 9.88 C ATOM 2027 CZ2 TRP A 503 -21.828 13.786 7.432 1.00 15.57 C ATOM 2028 CZ3 TRP A 503 -23.199 13.297 5.505 1.00 14.42 C ATOM 2029 CH2 TRP A 503 -22.154 13.995 6.120 1.00 16.12 C ATOM 2030 HE1 TRP A 503 -21.792 12.788 10.136 1.00 0.00 H ATOM 2031 H TRP A 503 -26.172 9.759 10.983 1.00 0.00 H ATOM 2032 N TYR A 504 -28.325 10.135 7.501 1.00 11.67 N ATOM 2033 CA TYR A 504 -29.193 9.243 6.746 1.00 11.42 C ATOM 2034 C TYR A 504 -28.785 9.307 5.284 1.00 9.97 C ATOM 2035 O TYR A 504 -28.486 10.387 4.767 1.00 12.46 O ATOM 2036 CB TYR A 504 -30.670 9.613 6.903 1.00 9.83 C ATOM 2037 CG TYR A 504 -31.112 9.709 8.341 1.00 10.39 C ATOM 2038 CD1 TYR A 504 -31.348 8.566 9.094 1.00 12.82 C ATOM 2039 CD2 TYR A 504 -31.289 10.944 8.948 1.00 13.78 C ATOM 2040 CE1 TYR A 504 -31.749 8.652 10.412 1.00 9.69 C ATOM 2041 CE2 TYR A 504 -31.690 11.040 10.264 1.00 16.13 C ATOM 2042 CZ TYR A 504 -31.919 9.892 10.990 1.00 19.05 C ATOM 2043 OH TYR A 504 -32.318 9.990 12.301 1.00 15.43 O ATOM 2044 HH TYR A 504 -32.439 9.082 12.677 1.00 0.00 H ATOM 2045 H TYR A 504 -28.175 11.100 7.144 1.00 0.00 H ATOM 2046 N GLY A 505 -28.762 8.157 4.627 1.00 10.06 N ATOM 2047 CA GLY A 505 -28.302 8.086 3.253 1.00 11.69 C ATOM 2048 C GLY A 505 -29.178 7.169 2.425 1.00 11.66 C ATOM 2049 O GLY A 505 -29.739 6.190 2.924 1.00 12.94 O ATOM 2050 H GLY A 505 -29.079 7.289 5.105 1.00 0.00 H ATOM 2051 N VAL A 506 -29.282 7.501 1.144 1.00 11.97 N ATOM 2052 CA VAL A 506 -30.041 6.724 0.171 1.00 14.05 C ATOM 2053 C VAL A 506 -29.105 6.387 -0.982 1.00 16.26 C ATOM 2054 O VAL A 506 -28.461 7.288 -1.522 1.00 13.45 O ATOM 2055 CB VAL A 506 -31.275 7.478 -0.351 1.00 11.96 C ATOM 2056 CG1 VAL A 506 -31.945 6.693 -1.469 1.00 15.40 C ATOM 2057 CG2 VAL A 506 -32.258 7.747 0.782 1.00 12.74 C ATOM 2058 H VAL A 506 -28.797 8.361 0.817 1.00 0.00 H ATOM 2059 N PRO A 507 -29.003 5.125 -1.395 1.00 12.97 N ATOM 2060 CA PRO A 507 -28.115 4.789 -2.516 1.00 13.12 C ATOM 2061 C PRO A 507 -28.570 5.440 -3.815 1.00 14.12 C ATOM 2062 O PRO A 507 -29.744 5.774 -3.997 1.00 15.04 O ATOM 2063 CB PRO A 507 -28.200 3.259 -2.592 1.00 12.07 C ATOM 2064 CG PRO A 507 -29.506 2.919 -1.940 1.00 14.08 C ATOM 2065 CD PRO A 507 -29.688 3.939 -0.855 1.00 12.82 C ATOM 2066 N SER A 508 -27.611 5.622 -4.726 1.00 13.77 N ATOM 2067 CA SER A 508 -27.888 6.357 -5.955 1.00 13.44 C ATOM 2068 C SER A 508 -28.887 5.629 -6.843 1.00 14.09 C ATOM 2069 O SER A 508 -29.572 6.266 -7.650 1.00 15.55 O ATOM 2070 CB SER A 508 -26.589 6.612 -6.722 1.00 13.21 C ATOM 2071 OG SER A 508 -25.957 5.396 -7.085 1.00 17.20 O ATOM 2072 HG SER A 508 -25.122 5.594 -7.578 1.00 0.00 H ATOM 2073 H SER A 508 -26.660 5.237 -4.558 1.00 0.00 H ATOM 2074 N HIS A 509 -28.989 4.303 -6.717 1.00 16.06 N ATOM 2075 CA HIS A 509 -29.932 3.570 -7.552 1.00 15.77 C ATOM 2076 C HIS A 509 -31.384 3.845 -7.178 1.00 22.01 C ATOM 2077 O HIS A 509 -32.284 3.467 -7.937 1.00 20.84 O ATOM 2078 CB HIS A 509 -29.633 2.065 -7.494 1.00 17.37 C ATOM 2079 CG HIS A 509 -29.952 1.420 -6.180 1.00 17.49 C ATOM 2080 ND1 HIS A 509 -31.244 1.196 -5.754 1.00 22.33 N ATOM 2081 CD2 HIS A 509 -29.146 0.921 -5.213 1.00 15.39 C ATOM 2082 CE1 HIS A 509 -31.220 0.601 -4.574 1.00 23.42 C ATOM 2083 NE2 HIS A 509 -29.959 0.423 -4.223 1.00 22.40 N ATOM 2084 H HIS A 509 -28.399 3.796 -6.027 1.00 0.00 H ATOM 2085 N ALA A 510 -31.633 4.498 -6.043 1.00 13.87 N ATOM 2086 CA ALA A 510 -32.976 4.893 -5.638 1.00 12.53 C ATOM 2087 C ALA A 510 -33.164 6.406 -5.668 1.00 14.84 C ATOM 2088 O ALA A 510 -34.096 6.923 -5.045 1.00 18.86 O ATOM 2089 CB ALA A 510 -33.292 4.350 -4.245 1.00 16.93 C ATOM 2090 H ALA A 510 -30.835 4.736 -5.420 1.00 0.00 H ATOM 2091 N ALA A 511 -32.298 7.125 -6.388 1.00 16.77 N ATOM 2092 CA ALA A 511 -32.374 8.583 -6.410 1.00 14.33 C ATOM 2093 C ALA A 511 -33.684 9.061 -7.026 1.00 17.13 C ATOM 2094 O ALA A 511 -34.364 9.931 -6.469 1.00 16.82 O ATOM 2095 CB ALA A 511 -31.179 9.157 -7.171 1.00 15.78 C ATOM 2096 H ALA A 511 -31.561 6.640 -6.939 1.00 0.00 H ATOM 2097 N GLU A 512 -34.053 8.503 -8.183 1.00 17.12 N ATOM 2098 CA GLU A 512 -35.304 8.901 -8.820 1.00 22.21 C ATOM 2099 C GLU A 512 -36.509 8.532 -7.965 1.00 22.82 C ATOM 2100 O GLU A 512 -37.519 9.245 -7.979 1.00 25.88 O ATOM 2101 CB GLU A 512 -35.425 8.262 -10.205 1.00 26.97 C ATOM 2102 CG GLU A 512 -34.360 8.699 -11.201 1.00 38.32 C ATOM 2103 CD GLU A 512 -33.075 7.904 -11.079 1.00114.34 C ATOM 2104 OE1 GLU A 512 -32.964 7.084 -10.143 1.00 62.38 O ATOM 2105 OE2 GLU A 512 -32.176 8.096 -11.925 1.00 67.25 O ATOM 2106 H GLU A 512 -33.448 7.785 -8.630 1.00 0.00 H ATOM 2107 N GLN A 513 -36.424 7.431 -7.216 1.00 20.50 N ATOM 2108 CA GLN A 513 -37.536 7.038 -6.357 1.00 24.12 C ATOM 2109 C GLN A 513 -37.723 8.026 -5.213 1.00 26.07 C ATOM 2110 O GLN A 513 -38.857 8.381 -4.872 1.00 22.52 O ATOM 2111 CB GLN A 513 -37.312 5.625 -5.820 1.00 26.02 C ATOM 2112 CG GLN A 513 -38.466 5.086 -4.989 1.00 37.12 C ATOM 2113 CD GLN A 513 -38.217 3.675 -4.491 1.00 99.49 C ATOM 2114 OE1 GLN A 513 -37.114 3.143 -4.624 1.00 57.15 O ATOM 2115 NE2 GLN A 513 -39.244 3.061 -3.915 1.00 74.95 N ATOM 2116 HE22 GLN A 513 -40.158 3.550 -3.824 1.00 0.00 H ATOM 2117 HE21 GLN A 513 -39.135 2.092 -3.555 1.00 0.00 H ATOM 2118 H GLN A 513 -35.562 6.851 -7.245 1.00 0.00 H ATOM 2119 N LEU A 514 -36.622 8.482 -4.609 1.00 17.83 N ATOM 2120 CA LEU A 514 -36.720 9.493 -3.561 1.00 17.17 C ATOM 2121 C LEU A 514 -37.287 10.796 -4.108 1.00 20.67 C ATOM 2122 O LEU A 514 -38.129 11.434 -3.466 1.00 21.34 O ATOM 2123 CB LEU A 514 -35.348 9.730 -2.925 1.00 19.04 C ATOM 2124 CG LEU A 514 -35.220 10.859 -1.895 1.00 17.63 C ATOM 2125 CD1 LEU A 514 -34.264 10.454 -0.788 1.00 22.15 C ATOM 2126 CD2 LEU A 514 -34.753 12.165 -2.534 1.00 19.12 C ATOM 2127 H LEU A 514 -35.690 8.114 -4.887 1.00 0.00 H ATOM 2128 N GLU A 515 -36.830 11.209 -5.292 1.00 19.13 N ATOM 2129 CA GLU A 515 -37.294 12.468 -5.864 1.00 19.97 C ATOM 2130 C GLU A 515 -38.788 12.426 -6.155 1.00 23.74 C ATOM 2131 O GLU A 515 -39.485 13.437 -6.011 1.00 22.83 O ATOM 2132 CB GLU A 515 -36.500 12.790 -7.130 1.00 19.97 C ATOM 2133 CG GLU A 515 -35.030 13.077 -6.869 1.00 18.39 C ATOM 2134 CD GLU A 515 -34.229 13.264 -8.143 1.00 19.64 C ATOM 2135 OE1 GLU A 515 -34.770 12.989 -9.234 1.00 27.24 O ATOM 2136 OE2 GLU A 515 -33.057 13.687 -8.051 1.00 19.94 O ATOM 2137 H GLU A 515 -36.139 10.630 -5.810 1.00 0.00 H ATOM 2138 N GLU A 516 -39.304 11.260 -6.552 1.00 24.62 N ATOM 2139 CA GLU A 516 -40.736 11.147 -6.811 1.00 28.59 C ATOM 2140 C GLU A 516 -41.536 11.182 -5.514 1.00 28.96 C ATOM 2141 O GLU A 516 -42.617 11.779 -5.463 1.00 26.12 O ATOM 2142 CB GLU A 516 -41.032 9.871 -7.597 1.00 27.76 C ATOM 2143 CG GLU A 516 -42.490 9.731 -8.006 1.00 42.50 C ATOM 2144 CD GLU A 516 -42.661 9.002 -9.324 1.00102.40 C ATOM 2145 OE1 GLU A 516 -41.705 8.330 -9.763 1.00111.42 O ATOM 2146 OE2 GLU A 516 -43.751 9.108 -9.926 1.00134.25 O ATOM 2147 H GLU A 516 -38.686 10.433 -6.677 1.00 0.00 H ATOM 2148 N VAL A 517 -41.022 10.548 -4.457 1.00 21.19 N ATOM 2149 CA VAL A 517 -41.694 10.600 -3.161 1.00 23.03 C ATOM 2150 C VAL A 517 -41.699 12.026 -2.626 1.00 19.65 C ATOM 2151 O VAL A 517 -42.704 12.496 -2.076 1.00 25.31 O ATOM 2152 CB VAL A 517 -41.028 9.624 -2.173 1.00 24.93 C ATOM 2153 CG1 VAL A 517 -41.600 9.802 -0.774 1.00 27.60 C ATOM 2154 CG2 VAL A 517 -41.209 8.190 -2.645 1.00 31.87 C ATOM 2155 H VAL A 517 -40.136 10.013 -4.557 1.00 0.00 H ATOM 2156 N MET A 518 -40.580 12.737 -2.783 1.00 23.52 N ATOM 2157 CA MET A 518 -40.500 14.126 -2.344 1.00 29.05 C ATOM 2158 C MET A 518 -41.585 14.972 -3.000 1.00 41.03 C ATOM 2159 O MET A 518 -42.437 15.549 -2.317 1.00 49.80 O ATOM 2160 CB MET A 518 -39.111 14.691 -2.649 1.00 35.25 C ATOM 2161 CG MET A 518 -38.031 14.245 -1.677 1.00 35.61 C ATOM 2162 SD MET A 518 -38.274 14.934 -0.028 1.00 50.75 S ATOM 2163 CE MET A 518 -36.921 14.173 0.863 1.00 40.33 C ATOM 2164 H MET A 518 -39.751 12.293 -3.226 1.00 0.00 H ATOM 2165 N ARG A 519 -41.580 15.036 -4.336 1.00 35.14 N ATOM 2166 CA ARG A 519 -42.557 15.856 -5.048 1.00 58.38 C ATOM 2167 C ARG A 519 -43.989 15.453 -4.718 1.00 67.50 C ATOM 2168 O ARG A 519 -44.889 16.299 -4.733 1.00 71.67 O ATOM 2169 CB ARG A 519 -42.320 15.765 -6.556 1.00 54.82 C ATOM 2170 H ARG A 519 -40.873 14.496 -4.874 1.00 0.00 H ATOM 2171 N GLU A 520 -44.220 14.173 -4.420 1.00 40.73 N ATOM 2172 CA GLU A 520 -45.559 13.735 -4.042 1.00 38.68 C ATOM 2173 C GLU A 520 -45.951 14.268 -2.669 1.00 46.42 C ATOM 2174 O GLU A 520 -47.108 14.648 -2.452 1.00 53.12 O ATOM 2175 CB GLU A 520 -45.638 12.209 -4.062 1.00 33.14 C ATOM 2176 CG GLU A 520 -46.967 11.649 -3.579 1.00 67.88 C ATOM 2177 CD GLU A 520 -46.920 10.153 -3.340 1.00 91.23 C ATOM 2178 OE1 GLU A 520 -47.802 9.640 -2.620 1.00 94.83 O ATOM 2179 OE2 GLU A 520 -46.001 9.491 -3.865 1.00 79.77 O ATOM 2180 H GLU A 520 -43.442 13.484 -4.457 1.00 0.00 H ATOM 2181 N LEU A 521 -45.002 14.310 -1.731 1.00 33.86 N ATOM 2182 CA LEU A 521 -45.309 14.637 -0.346 1.00 28.78 C ATOM 2183 C LEU A 521 -44.798 15.996 0.109 1.00 54.39 C ATOM 2184 O LEU A 521 -45.304 16.518 1.107 1.00 52.95 O ATOM 2185 CB LEU A 521 -44.750 13.554 0.588 1.00 35.59 C ATOM 2186 CG LEU A 521 -45.286 12.152 0.292 1.00 49.76 C ATOM 2187 CD1 LEU A 521 -44.807 11.157 1.329 1.00 37.15 C ATOM 2188 CD2 LEU A 521 -46.806 12.161 0.217 1.00 57.70 C ATOM 2189 H LEU A 521 -44.018 14.104 -1.997 1.00 0.00 H ATOM 2190 N ALA A 522 -43.816 16.576 -0.578 1.00 53.98 N ATOM 2191 CA ALA A 522 -43.419 17.939 -0.266 1.00 88.32 C ATOM 2192 C ALA A 522 -44.595 18.881 -0.522 1.00 38.36 C ATOM 2193 O ALA A 522 -45.478 18.571 -1.328 1.00 55.14 O ATOM 2194 CB ALA A 522 -42.210 18.359 -1.102 1.00 74.42 C ATOM 2195 H ALA A 522 -43.333 16.054 -1.337 1.00 0.00 H ATOM 2196 N PRO A 523 -44.645 20.023 0.163 1.00 47.31 N ATOM 2197 CA PRO A 523 -45.763 20.953 -0.036 1.00 40.12 C ATOM 2198 C PRO A 523 -45.923 21.336 -1.502 1.00 44.96 C ATOM 2199 O PRO A 523 -44.946 21.599 -2.207 1.00 44.00 O ATOM 2200 CB PRO A 523 -45.381 22.161 0.829 1.00 41.88 C ATOM 2201 CG PRO A 523 -43.922 21.984 1.147 1.00 64.52 C ATOM 2202 CD PRO A 523 -43.708 20.510 1.189 1.00 40.47 C ATOM 2203 N GLU A 524 -47.179 21.352 -1.959 1.00 55.06 N ATOM 2204 CA GLU A 524 -47.461 21.622 -3.365 1.00 65.06 C ATOM 2205 C GLU A 524 -46.998 23.011 -3.778 1.00 81.96 C ATOM 2206 O GLU A 524 -46.737 23.252 -4.963 1.00 48.72 O ATOM 2207 CB GLU A 524 -48.956 21.458 -3.640 1.00 69.23 C ATOM 2208 H GLU A 524 -47.966 21.170 -1.304 1.00 0.00 H ATOM 2209 N LEU A 525 -46.890 23.935 -2.820 1.00 48.25 N ATOM 2210 CA LEU A 525 -46.397 25.273 -3.123 1.00 48.41 C ATOM 2211 C LEU A 525 -44.962 25.242 -3.636 1.00 29.47 C ATOM 2212 O LEU A 525 -44.572 26.095 -4.441 1.00 37.17 O ATOM 2213 CB LEU A 525 -46.507 26.151 -1.876 1.00 47.01 C ATOM 2214 CG LEU A 525 -45.885 27.547 -1.888 1.00 76.75 C ATOM 2215 CD1 LEU A 525 -46.520 28.418 -2.959 1.00 65.29 C ATOM 2216 CD2 LEU A 525 -46.026 28.182 -0.515 1.00 56.48 C ATOM 2217 H LEU A 525 -47.161 23.697 -1.845 1.00 0.00 H ATOM 2218 N PHE A 526 -44.169 24.268 -3.193 1.00 33.68 N ATOM 2219 CA PHE A 526 -42.775 24.138 -3.597 1.00 24.75 C ATOM 2220 C PHE A 526 -42.548 23.025 -4.611 1.00 40.26 C ATOM 2221 O PHE A 526 -41.394 22.746 -4.951 1.00 28.87 O ATOM 2222 CB PHE A 526 -41.889 23.883 -2.372 1.00 21.74 C ATOM 2223 CG PHE A 526 -41.945 24.969 -1.337 1.00 20.52 C ATOM 2224 CD1 PHE A 526 -41.826 24.663 0.008 1.00 22.40 C ATOM 2225 CD2 PHE A 526 -42.103 26.294 -1.707 1.00 23.08 C ATOM 2226 CE1 PHE A 526 -41.872 25.656 0.968 1.00 24.97 C ATOM 2227 CE2 PHE A 526 -42.149 27.292 -0.751 1.00 18.13 C ATOM 2228 CZ PHE A 526 -42.034 26.972 0.587 1.00 21.44 C ATOM 2229 H PHE A 526 -44.562 23.570 -2.530 1.00 0.00 H ATOM 2230 N GLU A 527 -43.613 22.387 -5.103 1.00 32.13 N ATOM 2231 CA GLU A 527 -43.449 21.181 -5.910 1.00 76.57 C ATOM 2232 C GLU A 527 -42.743 21.472 -7.229 1.00 51.77 C ATOM 2233 O GLU A 527 -41.959 20.647 -7.714 1.00 44.23 O ATOM 2234 CB GLU A 527 -44.810 20.534 -6.166 1.00 36.94 C ATOM 2235 H GLU A 527 -44.567 22.752 -4.910 1.00 0.00 H ATOM 2236 N SER A 528 -43.005 22.631 -7.827 1.00 27.17 N ATOM 2237 CA SER A 528 -42.474 22.962 -9.142 1.00 37.74 C ATOM 2238 C SER A 528 -41.142 23.700 -9.082 1.00 41.87 C ATOM 2239 O SER A 528 -40.666 24.175 -10.118 1.00 30.32 O ATOM 2240 CB SER A 528 -43.490 23.798 -9.925 1.00 46.37 C ATOM 2241 OG SER A 528 -43.704 25.051 -9.301 1.00 58.55 O ATOM 2242 HG SER A 528 -44.049 24.907 -8.384 1.00 0.00 H ATOM 2243 H SER A 528 -43.609 23.323 -7.339 1.00 0.00 H ATOM 2244 N GLN A 529 -40.533 23.804 -7.907 1.00 26.31 N ATOM 2245 CA GLN A 529 -39.274 24.521 -7.796 1.00 19.99 C ATOM 2246 C GLN A 529 -38.122 23.690 -8.358 1.00 20.92 C ATOM 2247 O GLN A 529 -38.134 22.459 -8.271 1.00 25.15 O ATOM 2248 CB GLN A 529 -38.990 24.875 -6.340 1.00 19.26 C ATOM 2249 CG GLN A 529 -39.904 25.950 -5.778 1.00 20.98 C ATOM 2250 CD GLN A 529 -39.757 27.271 -6.505 1.00 25.75 C ATOM 2251 OE1 GLN A 529 -38.644 27.735 -6.757 1.00 22.30 O ATOM 2252 NE2 GLN A 529 -40.883 27.882 -6.854 1.00 22.13 N ATOM 2253 HE22 GLN A 529 -41.801 27.453 -6.620 1.00 0.00 H ATOM 2254 HE21 GLN A 529 -40.847 28.789 -7.361 1.00 0.00 H ATOM 2255 H GLN A 529 -40.959 23.371 -7.063 1.00 0.00 H ATOM 2256 N PRO A 530 -37.123 24.344 -8.953 1.00 18.49 N ATOM 2257 CA PRO A 530 -35.929 23.616 -9.396 1.00 22.04 C ATOM 2258 C PRO A 530 -35.253 22.922 -8.225 1.00 24.29 C ATOM 2259 O PRO A 530 -35.410 23.317 -7.067 1.00 24.40 O ATOM 2260 CB PRO A 530 -35.040 24.716 -9.987 1.00 25.72 C ATOM 2261 CG PRO A 530 -35.991 25.800 -10.370 1.00 29.51 C ATOM 2262 CD PRO A 530 -37.082 25.764 -9.340 1.00 22.11 C ATOM 2263 N ASP A 531 -34.498 21.867 -8.541 1.00 26.19 N ATOM 2264 CA ASP A 531 -33.856 21.071 -7.498 1.00 27.24 C ATOM 2265 C ASP A 531 -32.968 21.931 -6.607 1.00 26.59 C ATOM 2266 O ASP A 531 -33.021 21.826 -5.376 1.00 25.65 O ATOM 2267 CB ASP A 531 -33.049 19.935 -8.128 1.00 33.79 C ATOM 2268 CG ASP A 531 -33.927 18.827 -8.674 1.00 50.60 C ATOM 2269 OD1 ASP A 531 -35.149 18.853 -8.415 1.00 40.53 O ATOM 2270 OD2 ASP A 531 -33.396 17.930 -9.362 1.00 33.31 O ATOM 2271 H ASP A 531 -34.366 21.609 -9.540 1.00 0.00 H ATOM 2272 N LEU A 532 -32.161 22.807 -7.211 1.00 24.27 N ATOM 2273 CA LEU A 532 -31.213 23.613 -6.447 1.00 19.82 C ATOM 2274 C LEU A 532 -31.892 24.480 -5.393 1.00 26.57 C ATOM 2275 O LEU A 532 -31.255 24.837 -4.397 1.00 32.32 O ATOM 2276 CB LEU A 532 -30.389 24.490 -7.392 1.00 23.35 C ATOM 2277 H LEU A 532 -32.209 22.917 -8.244 1.00 0.00 H ATOM 2278 N LEU A 533 -33.164 24.824 -5.586 1.00 22.18 N ATOM 2279 CA LEU A 533 -33.935 25.570 -4.598 1.00 16.82 C ATOM 2280 C LEU A 533 -34.805 24.673 -3.731 1.00 16.83 C ATOM 2281 O LEU A 533 -34.934 24.920 -2.527 1.00 19.60 O ATOM 2282 CB LEU A 533 -34.815 26.612 -5.293 1.00 19.94 C ATOM 2283 CG LEU A 533 -34.057 27.734 -6.000 1.00 16.84 C ATOM 2284 CD1 LEU A 533 -35.013 28.583 -6.812 1.00 18.91 C ATOM 2285 CD2 LEU A 533 -33.307 28.584 -4.986 1.00 24.29 C ATOM 2286 H LEU A 533 -33.626 24.550 -6.477 1.00 0.00 H ATOM 2287 N HIS A 534 -35.409 23.639 -4.323 1.00 17.41 N ATOM 2288 CA HIS A 534 -36.188 22.682 -3.546 1.00 17.75 C ATOM 2289 C HIS A 534 -35.343 22.034 -2.460 1.00 22.16 C ATOM 2290 O HIS A 534 -35.844 21.758 -1.364 1.00 20.01 O ATOM 2291 CB HIS A 534 -36.778 21.620 -4.477 1.00 19.55 C ATOM 2292 CG HIS A 534 -37.879 20.814 -3.862 1.00 24.51 C ATOM 2293 ND1 HIS A 534 -38.748 21.331 -2.925 1.00 58.62 N ATOM 2294 CD2 HIS A 534 -38.263 19.530 -4.062 1.00 35.37 C ATOM 2295 CE1 HIS A 534 -39.614 20.399 -2.569 1.00 51.37 C ATOM 2296 NE2 HIS A 534 -39.342 19.297 -3.245 1.00 37.59 N ATOM 2297 H HIS A 534 -35.322 23.515 -5.352 1.00 0.00 H ATOM 2298 N GLN A 535 -34.052 21.818 -2.732 1.00 19.51 N ATOM 2299 CA GLN A 535 -33.152 21.192 -1.770 1.00 19.90 C ATOM 2300 C GLN A 535 -32.963 22.008 -0.501 1.00 21.61 C ATOM 2301 O GLN A 535 -32.342 21.508 0.441 1.00 23.49 O ATOM 2302 CB GLN A 535 -31.780 20.948 -2.404 1.00 26.16 C ATOM 2303 CG GLN A 535 -31.749 19.818 -3.408 1.00 47.83 C ATOM 2304 CD GLN A 535 -30.340 19.403 -3.775 1.00 59.24 C ATOM 2305 OE1 GLN A 535 -30.091 18.243 -4.100 1.00 19.57 O ATOM 2306 NE2 GLN A 535 -29.409 20.349 -3.725 1.00 23.04 N ATOM 2307 HE22 GLN A 535 -29.666 21.317 -3.445 1.00 0.00 H ATOM 2308 HE21 GLN A 535 -28.423 20.122 -3.966 1.00 0.00 H ATOM 2309 H GLN A 535 -33.678 22.105 -3.659 1.00 0.00 H ATOM 2310 N LEU A 536 -33.452 23.246 -0.453 1.00 20.15 N ATOM 2311 CA LEU A 536 -33.340 24.046 0.758 1.00 20.94 C ATOM 2312 C LEU A 536 -34.442 23.751 1.765 1.00 18.40 C ATOM 2313 O LEU A 536 -34.333 24.178 2.920 1.00 26.17 O ATOM 2314 CB LEU A 536 -33.351 25.538 0.406 1.00 24.33 C ATOM 2315 CG LEU A 536 -32.174 26.055 -0.423 1.00 30.79 C ATOM 2316 CD1 LEU A 536 -32.405 27.501 -0.835 1.00 25.10 C ATOM 2317 CD2 LEU A 536 -30.869 25.917 0.347 1.00 39.87 C ATOM 2318 H LEU A 536 -33.920 23.646 -1.291 1.00 0.00 H ATOM 2319 N VAL A 537 -35.489 23.030 1.364 1.00 18.98 N ATOM 2320 CA VAL A 537 -36.635 22.777 2.230 1.00 25.31 C ATOM 2321 C VAL A 537 -37.110 21.337 2.066 1.00 23.25 C ATOM 2322 O VAL A 537 -38.311 21.058 2.157 1.00 30.98 O ATOM 2323 CB VAL A 537 -37.781 23.764 1.934 1.00 28.20 C ATOM 2324 CG1 VAL A 537 -37.422 25.169 2.404 1.00 27.39 C ATOM 2325 CG2 VAL A 537 -38.108 23.769 0.446 1.00 35.01 C ATOM 2326 H VAL A 537 -35.489 22.635 0.402 1.00 0.00 H ATOM 2327 N THR A 538 -36.184 20.413 1.828 1.00 23.36 N ATOM 2328 CA THR A 538 -36.536 19.004 1.635 1.00 19.35 C ATOM 2329 C THR A 538 -36.224 18.187 2.887 1.00 26.15 C ATOM 2330 O THR A 538 -35.478 17.208 2.859 1.00 28.37 O ATOM 2331 CB THR A 538 -35.815 18.431 0.418 1.00 20.75 C ATOM 2332 OG1 THR A 538 -34.473 18.933 0.368 1.00 26.75 O ATOM 2333 CG2 THR A 538 -36.553 18.783 -0.865 1.00 26.07 C ATOM 2334 HG1 THR A 538 -34.011 18.558 -0.423 1.00 0.00 H ATOM 2335 H THR A 538 -35.185 20.698 1.778 1.00 0.00 H ATOM 2336 N ILE A 539 -36.817 18.597 4.002 1.00 22.67 N ATOM 2337 CA ILE A 539 -36.740 17.827 5.237 1.00 22.88 C ATOM 2338 C ILE A 539 -37.880 16.816 5.242 1.00 26.55 C ATOM 2339 O ILE A 539 -39.032 17.158 4.949 1.00 26.53 O ATOM 2340 CB ILE A 539 -36.785 18.746 6.470 1.00 29.76 C ATOM 2341 CG1 ILE A 539 -36.643 17.928 7.755 1.00 32.20 C ATOM 2342 CG2 ILE A 539 -38.054 19.591 6.494 1.00 43.39 C ATOM 2343 CD1 ILE A 539 -36.311 18.764 8.974 1.00 32.81 C ATOM 2344 H ILE A 539 -37.350 19.490 3.994 1.00 0.00 H ATOM 2345 N MET A 540 -37.555 15.559 5.541 1.00 20.83 N ATOM 2346 CA MET A 540 -38.553 14.498 5.494 1.00 17.91 C ATOM 2347 C MET A 540 -38.125 13.362 6.408 1.00 22.04 C ATOM 2348 O MET A 540 -36.963 12.943 6.380 1.00 18.12 O ATOM 2349 CB MET A 540 -38.752 13.986 4.062 1.00 17.61 C ATOM 2350 CG MET A 540 -39.707 12.806 3.958 1.00 21.42 C ATOM 2351 SD MET A 540 -40.109 12.352 2.260 1.00 39.83 S ATOM 2352 CE MET A 540 -41.163 13.718 1.781 1.00 54.90 C ATOM 2353 H MET A 540 -36.577 15.332 5.811 1.00 0.00 H ATOM 2354 N ASN A 541 -39.067 12.870 7.206 1.00 21.52 N ATOM 2355 CA ASN A 541 -38.805 11.752 8.100 1.00 20.63 C ATOM 2356 C ASN A 541 -38.350 10.535 7.297 1.00 15.58 C ATOM 2357 O ASN A 541 -39.006 10.169 6.311 1.00 18.74 O ATOM 2358 CB ASN A 541 -40.068 11.428 8.899 1.00 19.31 C ATOM 2359 CG ASN A 541 -39.829 10.422 10.011 1.00 19.27 C ATOM 2360 OD1 ASN A 541 -39.266 9.351 9.793 1.00 19.60 O ATOM 2361 ND2 ASN A 541 -40.272 10.765 11.215 1.00 25.69 N ATOM 2362 HD22 ASN A 541 -40.743 11.682 11.354 1.00 0.00 H ATOM 2363 HD21 ASN A 541 -40.148 10.117 12.019 1.00 0.00 H ATOM 2364 H ASN A 541 -40.016 13.295 7.191 1.00 0.00 H ATOM 2365 N PRO A 542 -37.244 9.889 7.677 1.00 15.77 N ATOM 2366 CA PRO A 542 -36.788 8.710 6.923 1.00 17.70 C ATOM 2367 C PRO A 542 -37.796 7.577 6.900 1.00 20.40 C ATOM 2368 O PRO A 542 -37.833 6.818 5.925 1.00 19.70 O ATOM 2369 CB PRO A 542 -35.501 8.306 7.656 1.00 21.04 C ATOM 2370 CG PRO A 542 -35.049 9.553 8.343 1.00 24.20 C ATOM 2371 CD PRO A 542 -36.307 10.256 8.748 1.00 19.09 C ATOM 2372 N ASN A 543 -38.618 7.436 7.944 1.00 21.12 N ATOM 2373 CA ASN A 543 -39.634 6.389 7.939 1.00 23.07 C ATOM 2374 C ASN A 543 -40.663 6.612 6.839 1.00 23.81 C ATOM 2375 O ASN A 543 -41.193 5.642 6.286 1.00 25.79 O ATOM 2376 CB ASN A 543 -40.324 6.307 9.300 1.00 19.47 C ATOM 2377 CG ASN A 543 -39.404 5.793 10.391 1.00 23.05 C ATOM 2378 OD1 ASN A 543 -39.716 5.891 11.577 1.00 28.48 O ATOM 2379 ND2 ASN A 543 -38.261 5.247 9.993 1.00 24.45 N ATOM 2380 HD22 ASN A 543 -38.039 5.186 8.979 1.00 0.00 H ATOM 2381 HD21 ASN A 543 -37.587 4.881 10.696 1.00 0.00 H ATOM 2382 H ASN A 543 -38.533 8.074 8.761 1.00 0.00 H ATOM 2383 N VAL A 544 -40.954 7.870 6.505 1.00 19.03 N ATOM 2384 CA VAL A 544 -41.886 8.152 5.417 1.00 24.53 C ATOM 2385 C VAL A 544 -41.311 7.678 4.088 1.00 20.29 C ATOM 2386 O VAL A 544 -42.019 7.088 3.262 1.00 24.16 O ATOM 2387 CB VAL A 544 -42.228 9.653 5.388 1.00 24.65 C ATOM 2388 CG1 VAL A 544 -43.125 9.967 4.212 1.00 31.01 C ATOM 2389 CG2 VAL A 544 -42.892 10.070 6.692 1.00 34.39 C ATOM 2390 H VAL A 544 -40.514 8.656 7.024 1.00 0.00 H ATOM 2391 N LEU A 545 -40.018 7.925 3.862 1.00 21.07 N ATOM 2392 CA LEU A 545 -39.363 7.416 2.661 1.00 24.54 C ATOM 2393 C LEU A 545 -39.343 5.893 2.649 1.00 20.20 C ATOM 2394 O LEU A 545 -39.583 5.268 1.609 1.00 24.35 O ATOM 2395 CB LEU A 545 -37.941 7.972 2.568 1.00 19.32 C ATOM 2396 CG LEU A 545 -37.793 9.460 2.251 1.00 29.40 C ATOM 2397 CD1 LEU A 545 -36.374 9.928 2.530 1.00 22.65 C ATOM 2398 CD2 LEU A 545 -38.166 9.724 0.803 1.00 31.30 C ATOM 2399 H LEU A 545 -39.473 8.485 4.548 1.00 0.00 H ATOM 2400 N MET A 546 -39.064 5.278 3.800 1.00 20.09 N ATOM 2401 CA MET A 546 -39.013 3.821 3.872 1.00 20.06 C ATOM 2402 C MET A 546 -40.387 3.204 3.641 1.00 25.02 C ATOM 2403 O MET A 546 -40.497 2.130 3.037 1.00 24.57 O ATOM 2404 CB MET A 546 -38.444 3.388 5.223 1.00 18.02 C ATOM 2405 CG MET A 546 -36.991 3.792 5.433 1.00 19.07 C ATOM 2406 SD MET A 546 -36.512 3.874 7.171 1.00 24.16 S ATOM 2407 CE MET A 546 -36.674 2.160 7.657 1.00 41.57 C ATOM 2408 H MET A 546 -38.881 5.842 4.654 1.00 0.00 H ATOM 2409 N GLU A 547 -41.447 3.869 4.108 1.00 22.95 N ATOM 2410 CA GLU A 547 -42.795 3.363 3.871 1.00 21.29 C ATOM 2411 C GLU A 547 -43.144 3.372 2.389 1.00 33.04 C ATOM 2412 O GLU A 547 -43.971 2.569 1.941 1.00 29.28 O ATOM 2413 CB GLU A 547 -43.814 4.182 4.664 1.00 34.14 C ATOM 2414 CG GLU A 547 -43.791 3.924 6.163 1.00 65.08 C ATOM 2415 CD GLU A 547 -44.477 5.021 6.954 1.00123.68 C ATOM 2416 OE1 GLU A 547 -45.210 5.828 6.344 1.00110.86 O ATOM 2417 OE2 GLU A 547 -44.278 5.081 8.186 1.00 76.75 O ATOM 2418 H GLU A 547 -41.311 4.751 4.643 1.00 0.00 H ATOM 2419 N HIS A 548 -42.529 4.265 1.614 1.00 25.35 N ATOM 2420 CA HIS A 548 -42.734 4.324 0.175 1.00 25.90 C ATOM 2421 C HIS A 548 -41.701 3.511 -0.601 1.00 32.77 C ATOM 2422 O HIS A 548 -41.569 3.691 -1.817 1.00 39.16 O ATOM 2423 CB HIS A 548 -42.732 5.779 -0.300 1.00 30.13 C ATOM 2424 CG HIS A 548 -43.982 6.528 0.044 1.00 37.26 C ATOM 2425 ND1 HIS A 548 -44.216 7.056 1.296 1.00 38.71 N ATOM 2426 CD2 HIS A 548 -45.072 6.833 -0.701 1.00 48.83 C ATOM 2427 CE1 HIS A 548 -45.393 7.656 1.306 1.00 47.74 C ATOM 2428 NE2 HIS A 548 -45.933 7.535 0.107 1.00 53.02 N ATOM 2429 H HIS A 548 -41.878 4.946 2.055 1.00 0.00 H ATOM 2430 N GLY A 549 -40.966 2.630 0.074 1.00 26.29 N ATOM 2431 CA GLY A 549 -40.054 1.721 -0.589 1.00 30.75 C ATOM 2432 C GLY A 549 -38.660 2.246 -0.849 1.00 33.56 C ATOM 2433 O GLY A 549 -37.893 1.582 -1.555 1.00 29.40 O ATOM 2434 H GLY A 549 -41.049 2.593 1.110 1.00 0.00 H ATOM 2435 N VAL A 550 -38.304 3.408 -0.311 1.00 22.68 N ATOM 2436 CA VAL A 550 -36.974 3.976 -0.520 1.00 22.30 C ATOM 2437 C VAL A 550 -36.015 3.388 0.509 1.00 22.03 C ATOM 2438 O VAL A 550 -36.280 3.468 1.717 1.00 20.59 O ATOM 2439 CB VAL A 550 -36.999 5.510 -0.431 1.00 22.33 C ATOM 2440 CG1 VAL A 550 -35.598 6.076 -0.615 1.00 19.53 C ATOM 2441 CG2 VAL A 550 -37.951 6.090 -1.460 1.00 25.18 C ATOM 2442 H VAL A 550 -38.990 3.927 0.274 1.00 0.00 H ATOM 2443 N PRO A 551 -34.903 2.787 0.084 1.00 17.34 N ATOM 2444 CA PRO A 551 -33.930 2.262 1.052 1.00 16.10 C ATOM 2445 C PRO A 551 -33.164 3.395 1.719 1.00 18.57 C ATOM 2446 O PRO A 551 -32.596 4.260 1.049 1.00 19.21 O ATOM 2447 CB PRO A 551 -33.012 1.386 0.193 1.00 19.56 C ATOM 2448 CG PRO A 551 -33.114 1.978 -1.177 1.00 24.16 C ATOM 2449 CD PRO A 551 -34.523 2.488 -1.307 1.00 23.19 C ATOM 2450 N VAL A 552 -33.159 3.390 3.050 1.00 14.23 N ATOM 2451 CA VAL A 552 -32.496 4.418 3.841 1.00 14.13 C ATOM 2452 C VAL A 552 -31.575 3.739 4.844 1.00 12.19 C ATOM 2453 O VAL A 552 -31.953 2.748 5.478 1.00 17.01 O ATOM 2454 CB VAL A 552 -33.511 5.326 4.569 1.00 14.22 C ATOM 2455 CG1 VAL A 552 -32.788 6.382 5.395 1.00 16.25 C ATOM 2456 CG2 VAL A 552 -34.453 5.978 3.571 1.00 13.64 C ATOM 2457 H VAL A 552 -33.650 2.619 3.547 1.00 0.00 H ATOM 2458 N TYR A 553 -30.364 4.273 4.984 1.00 12.04 N ATOM 2459 CA TYR A 553 -29.397 3.793 5.959 1.00 13.11 C ATOM 2460 C TYR A 553 -28.976 4.940 6.867 1.00 10.81 C ATOM 2461 O TYR A 553 -28.978 6.104 6.459 1.00 14.43 O ATOM 2462 CB TYR A 553 -28.170 3.186 5.270 1.00 13.50 C ATOM 2463 CG TYR A 553 -28.489 1.954 4.456 1.00 11.12 C ATOM 2464 CD1 TYR A 553 -28.409 0.687 5.019 1.00 15.24 C ATOM 2465 CD2 TYR A 553 -28.880 2.057 3.127 1.00 11.97 C ATOM 2466 CE1 TYR A 553 -28.703 -0.444 4.280 1.00 17.45 C ATOM 2467 CE2 TYR A 553 -29.177 0.932 2.380 1.00 17.85 C ATOM 2468 CZ TYR A 553 -29.087 -0.315 2.962 1.00 18.13 C ATOM 2469 OH TYR A 553 -29.381 -1.440 2.225 1.00 21.67 O ATOM 2470 HH TYR A 553 -29.266 -2.244 2.792 1.00 0.00 H ATOM 2471 H TYR A 553 -30.097 5.068 4.369 1.00 0.00 H ATOM 2472 N ARG A 554 -28.617 4.604 8.103 1.00 13.77 N ATOM 2473 CA ARG A 554 -28.264 5.592 9.111 1.00 14.17 C ATOM 2474 C ARG A 554 -26.878 5.305 9.671 1.00 13.23 C ATOM 2475 O ARG A 554 -26.327 4.214 9.495 1.00 13.78 O ATOM 2476 CB ARG A 554 -29.277 5.605 10.264 1.00 15.18 C ATOM 2477 CG ARG A 554 -29.095 4.447 11.238 1.00 15.86 C ATOM 2478 CD ARG A 554 -30.000 4.564 12.458 1.00 16.36 C ATOM 2479 NE ARG A 554 -29.830 5.828 13.172 1.00 16.50 N ATOM 2480 CZ ARG A 554 -28.793 6.119 13.951 1.00 13.39 C ATOM 2481 NH1 ARG A 554 -27.812 5.243 14.115 1.00 14.29 N ATOM 2482 NH2 ARG A 554 -28.732 7.295 14.562 1.00 15.48 N ATOM 2483 HE ARG A 554 -30.571 6.549 13.063 1.00 0.00 H ATOM 2484 HH12 ARG A 554 -27.003 5.476 14.726 1.00 0.00 H ATOM 2485 HH11 ARG A 554 -27.851 4.322 13.633 1.00 0.00 H ATOM 2486 HH22 ARG A 554 -27.921 7.523 15.172 1.00 0.00 H ATOM 2487 HH21 ARG A 554 -29.495 7.989 14.431 1.00 0.00 H ATOM 2488 H ARG A 554 -28.588 3.596 8.359 1.00 0.00 H ATOM 2489 N THR A 555 -26.323 6.302 10.359 1.00 12.57 N ATOM 2490 CA THR A 555 -25.114 6.108 11.148 1.00 16.20 C ATOM 2491 C THR A 555 -24.951 7.278 12.105 1.00 17.35 C ATOM 2492 O THR A 555 -25.469 8.374 11.874 1.00 13.17 O ATOM 2493 CB THR A 555 -23.862 5.971 10.274 1.00 17.42 C ATOM 2494 OG1 THR A 555 -22.821 5.348 11.038 1.00 16.79 O ATOM 2495 CG2 THR A 555 -23.374 7.336 9.801 1.00 15.85 C ATOM 2496 HG1 THR A 555 -23.121 4.452 11.333 1.00 0.00 H ATOM 2497 H THR A 555 -26.765 7.243 10.332 1.00 0.00 H ATOM 2498 N ASN A 556 -24.228 7.018 13.193 1.00 12.92 N ATOM 2499 CA ASN A 556 -23.789 8.049 14.126 1.00 13.31 C ATOM 2500 C ASN A 556 -22.299 8.271 13.895 1.00 13.25 C ATOM 2501 O ASN A 556 -21.476 7.419 14.244 1.00 14.50 O ATOM 2502 CB ASN A 556 -24.065 7.643 15.573 1.00 11.20 C ATOM 2503 CG ASN A 556 -25.546 7.576 15.892 1.00 14.21 C ATOM 2504 OD1 ASN A 556 -26.328 8.410 15.439 1.00 15.93 O ATOM 2505 ND2 ASN A 556 -25.939 6.577 16.675 1.00 15.25 N ATOM 2506 HD22 ASN A 556 -25.242 5.894 17.036 1.00 0.00 H ATOM 2507 HD21 ASN A 556 -26.943 6.478 16.927 1.00 0.00 H ATOM 2508 H ASN A 556 -23.964 6.031 13.387 1.00 0.00 H ATOM 2509 N GLN A 557 -21.957 9.402 13.287 1.00 13.10 N ATOM 2510 CA GLN A 557 -20.561 9.755 13.056 1.00 11.18 C ATOM 2511 C GLN A 557 -20.002 10.376 14.329 1.00 12.96 C ATOM 2512 O GLN A 557 -20.432 11.458 14.738 1.00 15.28 O ATOM 2513 CB GLN A 557 -20.443 10.716 11.877 1.00 11.03 C ATOM 2514 CG GLN A 557 -19.037 11.233 11.621 1.00 13.72 C ATOM 2515 CD GLN A 557 -19.031 12.447 10.713 1.00 13.65 C ATOM 2516 OE1 GLN A 557 -20.038 13.145 10.591 1.00 14.18 O ATOM 2517 NE2 GLN A 557 -17.898 12.705 10.069 1.00 10.82 N ATOM 2518 HE22 GLN A 557 -17.072 12.088 10.203 1.00 0.00 H ATOM 2519 HE21 GLN A 557 -17.837 13.524 9.431 1.00 0.00 H ATOM 2520 H GLN A 557 -22.704 10.052 12.968 1.00 0.00 H ATOM 2521 N CYS A 558 -19.049 9.698 14.958 1.00 15.00 N ATOM 2522 CA CYS A 558 -18.439 10.181 16.186 1.00 16.54 C ATOM 2523 C CYS A 558 -17.152 10.939 15.880 1.00 12.76 C ATOM 2524 O CYS A 558 -16.638 10.923 14.760 1.00 15.64 O ATOM 2525 CB CYS A 558 -18.169 9.017 17.143 1.00 16.69 C ATOM 2526 SG CYS A 558 -19.664 8.155 17.680 1.00 24.53 S ATOM 2527 H CYS A 558 -18.729 8.792 14.559 1.00 0.00 H ATOM 2528 N ALA A 559 -16.637 11.616 16.905 1.00 14.97 N ATOM 2529 CA ALA A 559 -15.439 12.430 16.746 1.00 14.57 C ATOM 2530 C ALA A 559 -14.274 11.586 16.244 1.00 17.15 C ATOM 2531 O ALA A 559 -14.017 10.491 16.753 1.00 19.18 O ATOM 2532 CB ALA A 559 -15.080 13.099 18.073 1.00 17.44 C ATOM 2533 H ALA A 559 -17.098 11.563 17.836 1.00 0.00 H ATOM 2534 N GLY A 560 -13.578 12.099 15.234 1.00 15.20 N ATOM 2535 CA GLY A 560 -12.454 11.405 14.645 1.00 15.61 C ATOM 2536 C GLY A 560 -12.800 10.419 13.554 1.00 15.60 C ATOM 2537 O GLY A 560 -11.912 9.685 13.103 1.00 18.70 O ATOM 2538 H GLY A 560 -13.850 13.029 14.856 1.00 0.00 H ATOM 2539 N GLU A 561 -14.053 10.375 13.110 1.00 15.13 N ATOM 2540 CA GLU A 561 -14.490 9.421 12.104 1.00 13.65 C ATOM 2541 C GLU A 561 -14.908 10.143 10.828 1.00 18.36 C ATOM 2542 O GLU A 561 -15.370 11.288 10.862 1.00 14.77 O ATOM 2543 CB GLU A 561 -15.651 8.569 12.628 1.00 18.91 C ATOM 2544 CG GLU A 561 -15.328 7.839 13.925 1.00 17.97 C ATOM 2545 CD GLU A 561 -16.476 6.980 14.420 1.00 24.80 C ATOM 2546 OE1 GLU A 561 -16.214 5.963 15.098 1.00 22.59 O ATOM 2547 OE2 GLU A 561 -17.641 7.322 14.134 1.00 17.13 O ATOM 2548 H GLU A 561 -14.745 11.048 13.497 1.00 0.00 H ATOM 2549 N PHE A 562 -14.734 9.458 9.701 1.00 12.33 N ATOM 2550 CA PHE A 562 -15.090 9.981 8.391 1.00 13.81 C ATOM 2551 C PHE A 562 -16.440 9.439 7.937 1.00 13.33 C ATOM 2552 O PHE A 562 -16.827 8.317 8.274 1.00 18.17 O ATOM 2553 CB PHE A 562 -14.037 9.617 7.340 1.00 14.08 C ATOM 2554 CG PHE A 562 -12.729 10.341 7.496 1.00 14.14 C ATOM 2555 CD1 PHE A 562 -11.696 9.778 8.225 1.00 14.77 C ATOM 2556 CD2 PHE A 562 -12.522 11.570 6.889 1.00 14.21 C ATOM 2557 CE1 PHE A 562 -10.486 10.433 8.361 1.00 17.54 C ATOM 2558 CE2 PHE A 562 -11.312 12.231 7.021 1.00 15.66 C ATOM 2559 CZ PHE A 562 -10.293 11.659 7.758 1.00 19.18 C ATOM 2560 H PHE A 562 -14.324 8.504 9.759 1.00 0.00 H ATOM 2561 N VAL A 563 -17.149 10.249 7.155 1.00 11.26 N ATOM 2562 CA VAL A 563 -18.331 9.810 6.423 1.00 13.76 C ATOM 2563 C VAL A 563 -18.138 10.178 4.960 1.00 10.85 C ATOM 2564 O VAL A 563 -17.828 11.331 4.640 1.00 16.20 O ATOM 2565 CB VAL A 563 -19.629 10.434 6.971 1.00 13.08 C ATOM 2566 CG1 VAL A 563 -20.781 10.195 6.001 1.00 13.81 C ATOM 2567 CG2 VAL A 563 -19.964 9.848 8.331 1.00 12.38 C ATOM 2568 H VAL A 563 -16.846 11.240 7.062 1.00 0.00 H ATOM 2569 N VAL A 564 -18.307 9.198 4.078 1.00 10.39 N ATOM 2570 CA VAL A 564 -18.210 9.402 2.638 1.00 11.58 C ATOM 2571 C VAL A 564 -19.603 9.272 2.044 1.00 12.78 C ATOM 2572 O VAL A 564 -20.319 8.304 2.329 1.00 13.98 O ATOM 2573 CB VAL A 564 -17.241 8.399 1.990 1.00 13.46 C ATOM 2574 CG1 VAL A 564 -17.243 8.564 0.475 1.00 13.75 C ATOM 2575 CG2 VAL A 564 -15.840 8.585 2.550 1.00 18.08 C ATOM 2576 H VAL A 564 -18.518 8.243 4.431 1.00 0.00 H ATOM 2577 N THR A 565 -19.993 10.253 1.235 1.00 13.09 N ATOM 2578 CA THR A 565 -21.213 10.186 0.444 1.00 10.95 C ATOM 2579 C THR A 565 -20.834 9.922 -1.006 1.00 12.55 C ATOM 2580 O THR A 565 -19.922 10.562 -1.541 1.00 14.58 O ATOM 2581 CB THR A 565 -22.028 11.477 0.555 1.00 10.97 C ATOM 2582 OG1 THR A 565 -21.303 12.558 -0.041 1.00 15.02 O ATOM 2583 CG2 THR A 565 -22.307 11.809 2.014 1.00 13.57 C ATOM 2584 HG1 THR A 565 -21.136 12.355 -0.996 1.00 0.00 H ATOM 2585 H THR A 565 -19.401 11.105 1.165 1.00 0.00 H ATOM 2586 N PHE A 566 -21.528 8.987 -1.630 1.00 11.13 N ATOM 2587 CA PHE A 566 -21.210 8.545 -2.980 1.00 13.84 C ATOM 2588 C PHE A 566 -21.989 9.363 -4.000 1.00 11.38 C ATOM 2589 O PHE A 566 -22.923 10.089 -3.652 1.00 14.41 O ATOM 2590 CB PHE A 566 -21.488 7.048 -3.094 1.00 13.80 C ATOM 2591 CG PHE A 566 -20.333 6.200 -2.645 1.00 14.52 C ATOM 2592 CD1 PHE A 566 -19.977 6.145 -1.306 1.00 20.88 C ATOM 2593 CD2 PHE A 566 -19.586 5.485 -3.562 1.00 21.35 C ATOM 2594 CE1 PHE A 566 -18.903 5.380 -0.894 1.00 23.12 C ATOM 2595 CE2 PHE A 566 -18.513 4.716 -3.155 1.00 27.06 C ATOM 2596 CZ PHE A 566 -18.172 4.664 -1.819 1.00 26.80 C ATOM 2597 H PHE A 566 -22.333 8.550 -1.138 1.00 0.00 H ATOM 2598 N PRO A 567 -21.597 9.304 -5.276 1.00 12.04 N ATOM 2599 CA PRO A 567 -22.246 10.146 -6.291 1.00 12.00 C ATOM 2600 C PRO A 567 -23.752 9.937 -6.343 1.00 10.43 C ATOM 2601 O PRO A 567 -24.239 8.806 -6.405 1.00 15.09 O ATOM 2602 CB PRO A 567 -21.571 9.704 -7.593 1.00 13.06 C ATOM 2603 CG PRO A 567 -20.229 9.274 -7.171 1.00 16.64 C ATOM 2604 CD PRO A 567 -20.406 8.629 -5.823 1.00 16.66 C ATOM 2605 N ARG A 568 -24.484 11.054 -6.314 1.00 11.71 N ATOM 2606 CA ARG A 568 -25.944 11.069 -6.412 1.00 11.94 C ATOM 2607 C ARG A 568 -26.603 10.298 -5.271 1.00 13.61 C ATOM 2608 O ARG A 568 -27.708 9.768 -5.419 1.00 12.47 O ATOM 2609 CB ARG A 568 -26.420 10.529 -7.764 1.00 11.57 C ATOM 2610 CG ARG A 568 -27.728 11.136 -8.234 1.00 14.28 C ATOM 2611 CD ARG A 568 -28.365 10.298 -9.323 1.00 15.01 C ATOM 2612 NE ARG A 568 -29.609 10.891 -9.799 1.00 16.62 N ATOM 2613 CZ ARG A 568 -30.408 10.325 -10.696 1.00 21.04 C ATOM 2614 NH1 ARG A 568 -30.096 9.144 -11.211 1.00 21.80 N ATOM 2615 NH2 ARG A 568 -31.522 10.936 -11.074 1.00 28.12 N ATOM 2616 HE ARG A 568 -29.888 11.815 -9.412 1.00 0.00 H ATOM 2617 HH12 ARG A 568 -30.722 8.701 -11.913 1.00 0.00 H ATOM 2618 HH11 ARG A 568 -29.225 8.660 -10.913 1.00 0.00 H ATOM 2619 HH22 ARG A 568 -32.146 10.491 -11.777 1.00 0.00 H ATOM 2620 HH21 ARG A 568 -31.772 11.860 -10.668 1.00 0.00 H ATOM 2621 H ARG A 568 -23.989 11.963 -6.216 1.00 0.00 H ATOM 2622 N ALA A 569 -25.936 10.226 -4.124 1.00 12.29 N ATOM 2623 CA ALA A 569 -26.514 9.620 -2.930 1.00 12.17 C ATOM 2624 C ALA A 569 -27.179 10.722 -2.115 1.00 12.45 C ATOM 2625 O ALA A 569 -26.497 11.580 -1.545 1.00 13.76 O ATOM 2626 CB ALA A 569 -25.448 8.894 -2.115 1.00 14.12 C ATOM 2627 H ALA A 569 -24.972 10.614 -4.076 1.00 0.00 H ATOM 2628 N TYR A 570 -28.509 10.713 -2.079 1.00 10.44 N ATOM 2629 CA TYR A 570 -29.230 11.668 -1.251 1.00 10.82 C ATOM 2630 C TYR A 570 -28.918 11.421 0.217 1.00 13.38 C ATOM 2631 O TYR A 570 -28.840 10.275 0.667 1.00 12.90 O ATOM 2632 CB TYR A 570 -30.735 11.563 -1.499 1.00 10.57 C ATOM 2633 CG TYR A 570 -31.209 12.414 -2.651 1.00 9.40 C ATOM 2634 CD1 TYR A 570 -31.337 11.883 -3.928 1.00 11.38 C ATOM 2635 CD2 TYR A 570 -31.519 13.753 -2.463 1.00 13.73 C ATOM 2636 CE1 TYR A 570 -31.766 12.665 -4.985 1.00 14.82 C ATOM 2637 CE2 TYR A 570 -31.948 14.540 -3.511 1.00 14.44 C ATOM 2638 CZ TYR A 570 -32.070 13.994 -4.769 1.00 15.20 C ATOM 2639 OH TYR A 570 -32.497 14.784 -5.813 1.00 16.00 O ATOM 2640 HH TYR A 570 -32.530 14.244 -6.642 1.00 0.00 H ATOM 2641 H TYR A 570 -29.037 10.019 -2.646 1.00 0.00 H ATOM 2642 N HIS A 571 -28.722 12.502 0.968 1.00 10.72 N ATOM 2643 CA HIS A 571 -28.375 12.349 2.370 1.00 9.92 C ATOM 2644 C HIS A 571 -28.918 13.517 3.178 1.00 11.53 C ATOM 2645 O HIS A 571 -29.139 14.613 2.657 1.00 11.52 O ATOM 2646 CB HIS A 571 -26.858 12.217 2.571 1.00 12.78 C ATOM 2647 CG HIS A 571 -26.069 13.377 2.050 1.00 10.41 C ATOM 2648 ND1 HIS A 571 -25.843 13.579 0.706 1.00 11.77 N ATOM 2649 CD2 HIS A 571 -25.437 14.387 2.694 1.00 11.85 C ATOM 2650 CE1 HIS A 571 -25.114 14.669 0.543 1.00 12.52 C ATOM 2651 NE2 HIS A 571 -24.854 15.178 1.734 1.00 14.99 N ATOM 2652 H HIS A 571 -28.817 13.451 0.553 1.00 0.00 H ATOM 2653 N SER A 572 -29.137 13.250 4.462 1.00 11.76 N ATOM 2654 CA SER A 572 -29.623 14.250 5.399 1.00 8.74 C ATOM 2655 C SER A 572 -29.115 13.880 6.785 1.00 9.38 C ATOM 2656 O SER A 572 -28.472 12.845 6.976 1.00 14.15 O ATOM 2657 CB SER A 572 -31.151 14.346 5.367 1.00 8.27 C ATOM 2658 OG SER A 572 -31.744 13.163 5.871 1.00 10.05 O ATOM 2659 HG SER A 572 -32.730 13.250 5.840 1.00 0.00 H ATOM 2660 H SER A 572 -28.953 12.287 4.810 1.00 0.00 H ATOM 2661 N GLY A 573 -29.393 14.741 7.755 1.00 12.31 N ATOM 2662 CA GLY A 573 -28.956 14.436 9.102 1.00 12.67 C ATOM 2663 C GLY A 573 -29.121 15.605 10.046 1.00 10.22 C ATOM 2664 O GLY A 573 -29.647 16.664 9.692 1.00 13.81 O ATOM 2665 H GLY A 573 -29.914 15.618 7.552 1.00 0.00 H ATOM 2666 N PHE A 574 -28.654 15.377 11.274 1.00 9.94 N ATOM 2667 CA PHE A 574 -28.729 16.354 12.350 1.00 13.70 C ATOM 2668 C PHE A 574 -27.615 16.069 13.349 1.00 11.59 C ATOM 2669 O PHE A 574 -27.021 14.987 13.356 1.00 13.43 O ATOM 2670 CB PHE A 574 -30.093 16.320 13.053 1.00 12.79 C ATOM 2671 CG PHE A 574 -30.340 15.055 13.826 1.00 12.15 C ATOM 2672 CD1 PHE A 574 -30.015 14.972 15.173 1.00 13.17 C ATOM 2673 CD2 PHE A 574 -30.881 13.944 13.203 1.00 15.39 C ATOM 2674 CE1 PHE A 574 -30.231 13.805 15.881 1.00 15.48 C ATOM 2675 CE2 PHE A 574 -31.101 12.775 13.909 1.00 13.65 C ATOM 2676 CZ PHE A 574 -30.773 12.706 15.247 1.00 18.18 C ATOM 2677 H PHE A 574 -28.215 14.456 11.473 1.00 0.00 H ATOM 2678 N ASN A 575 -27.347 17.046 14.208 1.00 10.42 N ATOM 2679 CA ASN A 575 -26.282 16.933 15.194 1.00 10.70 C ATOM 2680 C ASN A 575 -26.845 16.573 16.563 1.00 14.51 C ATOM 2681 O ASN A 575 -27.884 17.096 16.979 1.00 13.85 O ATOM 2682 CB ASN A 575 -25.482 18.233 15.282 1.00 11.82 C ATOM 2683 CG ASN A 575 -24.753 18.549 13.993 1.00 13.84 C ATOM 2684 OD1 ASN A 575 -23.826 17.840 13.604 1.00 13.12 O ATOM 2685 ND2 ASN A 575 -25.168 19.618 13.323 1.00 15.63 N ATOM 2686 HD22 ASN A 575 -25.956 20.188 13.690 1.00 0.00 H ATOM 2687 HD21 ASN A 575 -24.705 19.885 12.431 1.00 0.00 H ATOM 2688 H ASN A 575 -27.914 17.917 14.175 1.00 0.00 H ATOM 2689 N GLN A 576 -26.149 15.669 17.257 1.00 10.78 N ATOM 2690 CA GLN A 576 -26.531 15.290 18.611 1.00 12.46 C ATOM 2691 C GLN A 576 -26.193 16.370 19.628 1.00 18.45 C ATOM 2692 O GLN A 576 -26.792 16.397 20.708 1.00 15.53 O ATOM 2693 CB GLN A 576 -25.837 13.986 19.005 1.00 14.03 C ATOM 2694 CG GLN A 576 -26.256 12.782 18.185 1.00 14.67 C ATOM 2695 CD GLN A 576 -27.525 12.146 18.708 1.00 17.02 C ATOM 2696 OE1 GLN A 576 -27.833 12.243 19.896 1.00 15.22 O ATOM 2697 NE2 GLN A 576 -28.269 11.491 17.825 1.00 15.63 N ATOM 2698 HE22 GLN A 576 -27.968 11.436 16.831 1.00 0.00 H ATOM 2699 HE21 GLN A 576 -29.153 11.033 18.127 1.00 0.00 H ATOM 2700 H GLN A 576 -25.315 15.225 16.821 1.00 0.00 H ATOM 2701 N GLY A 577 -25.246 17.244 19.311 1.00 12.72 N ATOM 2702 CA GLY A 577 -24.857 18.284 20.239 1.00 13.54 C ATOM 2703 C GLY A 577 -23.748 19.129 19.658 1.00 12.62 C ATOM 2704 O GLY A 577 -23.515 19.130 18.448 1.00 14.93 O ATOM 2705 H GLY A 577 -24.778 17.181 18.385 1.00 0.00 H ATOM 2706 N TYR A 578 -23.063 19.849 20.543 1.00 13.15 N ATOM 2707 CA TYR A 578 -21.970 20.730 20.150 1.00 15.13 C ATOM 2708 C TYR A 578 -20.852 19.935 19.483 1.00 10.75 C ATOM 2709 O TYR A 578 -20.257 19.049 20.103 1.00 15.69 O ATOM 2710 CB TYR A 578 -21.459 21.463 21.392 1.00 13.20 C ATOM 2711 CG TYR A 578 -20.307 22.419 21.178 1.00 16.06 C ATOM 2712 CD1 TYR A 578 -19.203 22.396 22.021 1.00 21.39 C ATOM 2713 CD2 TYR A 578 -20.328 23.354 20.152 1.00 20.67 C ATOM 2714 CE1 TYR A 578 -18.148 23.270 21.846 1.00 26.10 C ATOM 2715 CE2 TYR A 578 -19.274 24.234 19.967 1.00 19.03 C ATOM 2716 CZ TYR A 578 -18.187 24.187 20.817 1.00 25.39 C ATOM 2717 OH TYR A 578 -17.134 25.058 20.643 1.00 24.94 O ATOM 2718 HH TYR A 578 -17.460 25.989 20.725 1.00 0.00 H ATOM 2719 H TYR A 578 -23.316 19.781 21.549 1.00 0.00 H ATOM 2720 N ASN A 579 -20.572 20.241 18.215 1.00 14.54 N ATOM 2721 CA ASN A 579 -19.520 19.541 17.486 1.00 13.93 C ATOM 2722 C ASN A 579 -18.961 20.447 16.394 1.00 19.60 C ATOM 2723 O ASN A 579 -19.428 21.571 16.183 1.00 14.07 O ATOM 2724 CB ASN A 579 -20.027 18.212 16.905 1.00 12.97 C ATOM 2725 CG ASN A 579 -21.203 18.383 15.951 1.00 13.51 C ATOM 2726 OD1 ASN A 579 -21.468 19.472 15.443 1.00 14.85 O ATOM 2727 ND2 ASN A 579 -21.911 17.287 15.698 1.00 12.44 N ATOM 2728 HD22 ASN A 579 -21.653 16.386 16.149 1.00 0.00 H ATOM 2729 HD21 ASN A 579 -22.723 17.331 15.049 1.00 0.00 H ATOM 2730 H ASN A 579 -21.113 20.991 17.738 1.00 0.00 H ATOM 2731 N PHE A 580 -17.958 19.931 15.686 1.00 13.60 N ATOM 2732 CA PHE A 580 -17.228 20.693 14.679 1.00 15.42 C ATOM 2733 C PHE A 580 -16.853 19.749 13.548 1.00 13.45 C ATOM 2734 O PHE A 580 -16.098 18.797 13.767 1.00 15.52 O ATOM 2735 CB PHE A 580 -15.977 21.329 15.288 1.00 13.98 C ATOM 2736 CG PHE A 580 -15.342 22.384 14.428 1.00 17.73 C ATOM 2737 CD1 PHE A 580 -14.522 22.036 13.367 1.00 18.75 C ATOM 2738 CD2 PHE A 580 -15.549 23.726 14.697 1.00 22.74 C ATOM 2739 CE1 PHE A 580 -13.933 23.008 12.580 1.00 19.28 C ATOM 2740 CE2 PHE A 580 -14.962 24.703 13.915 1.00 20.12 C ATOM 2741 CZ PHE A 580 -14.153 24.343 12.856 1.00 21.23 C ATOM 2742 H PHE A 580 -17.684 18.943 15.858 1.00 0.00 H ATOM 2743 N ALA A 581 -17.365 20.013 12.349 1.00 12.26 N ATOM 2744 CA ALA A 581 -17.146 19.145 11.203 1.00 10.93 C ATOM 2745 C ALA A 581 -16.516 19.920 10.053 1.00 14.00 C ATOM 2746 O ALA A 581 -16.636 21.145 9.955 1.00 15.74 O ATOM 2747 CB ALA A 581 -18.458 18.500 10.737 1.00 13.38 C ATOM 2748 H ALA A 581 -17.942 20.870 12.227 1.00 0.00 H ATOM 2749 N GLU A 582 -15.839 19.180 9.178 1.00 15.06 N ATOM 2750 CA GLU A 582 -15.211 19.724 7.983 1.00 16.48 C ATOM 2751 C GLU A 582 -15.541 18.816 6.807 1.00 16.12 C ATOM 2752 O GLU A 582 -15.486 17.589 6.929 1.00 13.56 O ATOM 2753 CB GLU A 582 -13.690 19.850 8.164 1.00 13.91 C ATOM 2754 CG GLU A 582 -12.965 20.515 7.005 1.00 16.49 C ATOM 2755 CD GLU A 582 -11.597 21.041 7.402 1.00 21.95 C ATOM 2756 OE1 GLU A 582 -11.200 20.844 8.571 1.00 19.97 O ATOM 2757 OE2 GLU A 582 -10.921 21.656 6.551 1.00 20.15 O ATOM 2758 H GLU A 582 -15.754 18.159 9.358 1.00 0.00 H ATOM 2759 N ALA A 583 -15.894 19.419 5.673 1.00 12.93 N ATOM 2760 CA ALA A 583 -16.381 18.666 4.527 1.00 13.60 C ATOM 2761 C ALA A 583 -15.852 19.275 3.237 1.00 15.10 C ATOM 2762 O ALA A 583 -15.626 20.484 3.150 1.00 17.59 O ATOM 2763 CB ALA A 583 -17.913 18.630 4.492 1.00 15.22 C ATOM 2764 H ALA A 583 -15.820 20.454 5.605 1.00 0.00 H ATOM 2765 N VAL A 584 -15.667 18.421 2.230 1.00 13.57 N ATOM 2766 CA VAL A 584 -15.221 18.858 0.913 1.00 13.99 C ATOM 2767 C VAL A 584 -15.709 17.852 -0.120 1.00 16.28 C ATOM 2768 O VAL A 584 -15.851 16.659 0.164 1.00 16.22 O ATOM 2769 CB VAL A 584 -13.682 19.022 0.853 1.00 14.89 C ATOM 2770 CG1 VAL A 584 -12.989 17.663 0.842 1.00 15.67 C ATOM 2771 CG2 VAL A 584 -13.275 19.854 -0.356 1.00 15.03 C ATOM 2772 H VAL A 584 -15.847 17.409 2.390 1.00 0.00 H ATOM 2773 N ASN A 585 -15.989 18.347 -1.322 1.00 14.12 N ATOM 2774 CA ASN A 585 -16.285 17.493 -2.462 1.00 15.04 C ATOM 2775 C ASN A 585 -14.981 17.108 -3.145 1.00 21.48 C ATOM 2776 O ASN A 585 -14.092 17.945 -3.319 1.00 25.51 O ATOM 2777 CB ASN A 585 -17.204 18.207 -3.456 1.00 11.73 C ATOM 2778 CG ASN A 585 -18.513 18.644 -2.832 1.00 22.17 C ATOM 2779 OD1 ASN A 585 -18.781 19.837 -2.694 1.00 30.11 O ATOM 2780 ND2 ASN A 585 -19.340 17.677 -2.455 1.00 22.72 N ATOM 2781 HD22 ASN A 585 -19.072 16.681 -2.591 1.00 0.00 H ATOM 2782 HD21 ASN A 585 -20.256 17.915 -2.024 1.00 0.00 H ATOM 2783 H ASN A 585 -15.997 19.379 -1.451 1.00 0.00 H ATOM 2784 N PHE A 586 -14.864 15.838 -3.523 1.00 16.67 N ATOM 2785 CA PHE A 586 -13.663 15.362 -4.191 1.00 19.04 C ATOM 2786 C PHE A 586 -14.035 14.592 -5.451 1.00 21.93 C ATOM 2787 O PHE A 586 -15.165 14.125 -5.612 1.00 19.58 O ATOM 2788 CB PHE A 586 -12.792 14.496 -3.261 1.00 19.29 C ATOM 2789 CG PHE A 586 -13.410 13.180 -2.873 1.00 18.49 C ATOM 2790 CD1 PHE A 586 -14.216 13.082 -1.750 1.00 18.86 C ATOM 2791 CD2 PHE A 586 -13.151 12.033 -3.606 1.00 20.23 C ATOM 2792 CE1 PHE A 586 -14.770 11.869 -1.380 1.00 19.37 C ATOM 2793 CE2 PHE A 586 -13.703 10.819 -3.243 1.00 18.03 C ATOM 2794 CZ PHE A 586 -14.511 10.736 -2.127 1.00 20.26 C ATOM 2795 H PHE A 586 -15.644 15.175 -3.338 1.00 0.00 H ATOM 2796 N CYS A 587 -13.060 14.478 -6.350 1.00 21.82 N ATOM 2797 CA CYS A 587 -13.238 13.827 -7.638 1.00 24.31 C ATOM 2798 C CYS A 587 -12.362 12.584 -7.716 1.00 36.99 C ATOM 2799 O CYS A 587 -11.287 12.523 -7.112 1.00 29.56 O ATOM 2800 CB CYS A 587 -12.893 14.777 -8.793 1.00 31.58 C ATOM 2801 SG CYS A 587 -13.832 16.321 -8.799 1.00 90.59 S ATOM 2802 H CYS A 587 -12.126 14.874 -6.120 1.00 0.00 H ATOM 2803 N THR A 588 -12.832 11.595 -8.468 1.00 31.96 N ATOM 2804 CA THR A 588 -12.099 10.346 -8.635 1.00 53.39 C ATOM 2805 C THR A 588 -11.653 10.164 -10.081 1.00 54.18 C ATOM 2806 O THR A 588 -10.837 9.295 -10.385 1.00 59.24 O ATOM 2807 CB THR A 588 -12.945 9.131 -8.211 1.00 40.01 C ATOM 2808 OG1 THR A 588 -14.118 9.053 -9.030 1.00 49.90 O ATOM 2809 CG2 THR A 588 -13.358 9.256 -6.753 1.00 38.84 C ATOM 2810 HG1 THR A 588 -14.660 8.271 -8.755 1.00 0.00 H ATOM 2811 H THR A 588 -13.746 11.715 -8.950 1.00 0.00 H TER 2812 THR A 588 HETATM 2813 MN MN A 1 -23.978 18.904 0.969 1.00 14.90 MN HETATM 2814 O HOH 2 -39.718 20.131 -7.479 1.00 41.54 O HETATM 2815 O HOH 3 -13.292 31.360 19.014 1.00 43.81 O HETATM 2816 O HOH 4 -18.754 5.654 -7.443 1.00 43.30 O HETATM 2817 O HOH 5 -0.231 11.531 16.176 1.00 40.06 O HETATM 2818 O HOH 6 -6.394 9.449 -2.553 1.00 38.48 O HETATM 2819 O HOH 7 -28.112 19.704 -13.515 1.00 25.88 O HETATM 2820 O HOH 8 -25.257 35.881 25.162 1.00 41.97 O HETATM 2821 O HOH 9 -15.188 33.287 3.453 1.00 48.71 O HETATM 2822 O HOH 10 -26.999 19.900 -5.636 1.00 24.43 O HETATM 2823 O HOH 11 -40.799 22.141 16.755 1.00 31.27 O HETATM 2824 O HOH 12 -24.192 19.800 23.395 1.00 18.13 O HETATM 2825 O HOH 13 -2.098 9.540 6.637 1.00 38.99 O HETATM 2826 O HOH 14 -44.759 15.543 15.999 1.00 32.78 O HETATM 2827 O HOH 15 -6.545 25.260 17.280 1.00 40.38 O HETATM 2828 O HOH 16 -31.456 25.271 4.157 1.00 51.76 O HETATM 2829 O HOH 17 -21.908 19.405 1.023 1.00 21.40 O HETATM 2830 O HOH 18 -37.314 20.060 -7.743 1.00 35.44 O HETATM 2831 O HOH 19 -2.807 22.985 16.104 1.00 48.34 O HETATM 2832 O HOH 20 -23.413 17.222 2.339 1.00 14.26 O HETATM 2833 O HOH 21 -19.680 -1.387 -8.003 1.00 42.89 O HETATM 2834 O HOH 22 -14.388 20.439 -3.933 1.00 36.72 O HETATM 2835 O HOH 23 -5.151 7.321 -5.736 1.00 47.44 O HETATM 2836 O HOH 24 5.155 14.201 11.471 1.00 34.33 O HETATM 2837 O HOH 25 -1.418 22.178 13.985 1.00 43.46 O HETATM 2838 O HOH 26 -9.716 14.712 15.329 1.00 32.05 O HETATM 2839 O HOH 27 -33.729 12.851 -11.616 1.00 39.60 O HETATM 2840 O HOH 28 1.500 26.701 8.035 1.00 47.83 O HETATM 2841 O HOH 29 1.512 11.947 5.954 1.00 32.71 O HETATM 2842 O HOH 30 -9.151 19.330 -1.025 1.00 23.74 O HETATM 2843 O HOH 31 -33.110 1.303 -9.164 1.00 40.24 O HETATM 2844 O HOH 32 -17.113 32.026 5.809 1.00 47.72 O HETATM 2845 O HOH 33 -24.954 5.893 20.323 1.00 34.77 O HETATM 2846 O HOH 34 -31.505 17.301 -6.107 1.00 34.62 O HETATM 2847 O HOH 35 -30.478 0.673 13.079 1.00 26.67 O HETATM 2848 O HOH 36 -21.264 32.886 26.943 1.00 45.61 O HETATM 2849 O HOH 37 -43.347 26.712 -6.692 1.00 30.84 O HETATM 2850 O HOH 38 -41.118 13.910 11.401 1.00 25.88 O HETATM 2851 O HOH 39 -19.870 19.311 -5.987 1.00 31.64 O HETATM 2852 O HOH 40 -20.534 21.101 2.000 1.00 39.26 O HETATM 2853 O HOH 41 -30.909 13.389 -9.582 1.00 19.55 O HETATM 2854 O HOH 42 -16.884 13.328 -7.472 1.00 21.34 O HETATM 2855 O HOH 43 -23.773 -1.361 -7.272 1.00 31.06 O HETATM 2856 O HOH 44 -29.612 28.385 19.773 1.00 38.38 O HETATM 2857 O HOH 45 -19.284 5.372 15.361 1.00 23.37 O HETATM 2858 O HOH 46 -4.299 13.192 -2.188 1.00 45.21 O HETATM 2859 O HOH 47 -32.536 21.957 12.491 1.00 22.96 O HETATM 2860 O HOH 48 -9.377 10.383 13.633 1.00 31.13 O HETATM 2861 O HOH 49 -24.160 4.375 14.139 1.00 22.08 O HETATM 2862 O HOH 50 -21.124 5.034 -7.113 1.00 28.51 O HETATM 2863 O HOH 51 -22.115 12.580 -2.622 1.00 13.99 O HETATM 2864 O HOH 52 -28.301 5.794 17.911 1.00 19.13 O HETATM 2865 O HOH 53 -1.277 9.392 18.062 1.00 41.56 O HETATM 2866 O HOH 54 -12.045 28.875 8.877 1.00 32.00 O HETATM 2867 O HOH 55 -23.287 2.691 10.935 1.00 19.34 O HETATM 2868 O HOH 56 -18.708 20.677 25.767 1.00 49.21 O HETATM 2869 O HOH 57 -38.127 28.958 -9.111 1.00 20.87 O HETATM 2870 O HOH 58 -32.981 19.902 7.945 1.00 31.28 O HETATM 2871 O HOH 59 -30.769 5.129 16.646 1.00 21.41 O HETATM 2872 O HOH 60 -35.959 23.932 9.341 1.00 47.41 O HETATM 2873 O HOH 61 -18.559 12.053 19.117 1.00 19.22 O HETATM 2874 O HOH 62 -26.161 21.137 21.978 1.00 12.73 O HETATM 2875 O HOH 63 -14.896 9.344 19.067 1.00 25.88 O HETATM 2876 O HOH 64 -6.450 19.511 -2.930 1.00 49.55 O HETATM 2877 O HOH 65 -6.220 12.252 -0.908 1.00 28.96 O HETATM 2878 O HOH 66 -15.901 6.991 -9.257 1.00 49.99 O HETATM 2879 O HOH 67 -19.261 18.590 22.609 1.00 20.13 O HETATM 2880 O HOH 68 -23.129 31.853 25.213 1.00 27.89 O HETATM 2881 O HOH 69 -35.108 -0.204 10.284 1.00 35.54 O HETATM 2882 O HOH 70 -40.255 10.327 16.994 1.00 29.04 O HETATM 2883 O HOH 71 -5.987 2.176 0.169 1.00 47.14 O HETATM 2884 O HOH 72 -29.089 -3.932 3.375 1.00 31.64 O HETATM 2885 O HOH 73 -9.050 1.399 11.547 1.00 30.72 O HETATM 2886 O HOH 74 -34.324 6.749 17.645 1.00 19.72 O HETATM 2887 O HOH 75 -12.132 37.478 14.341 1.00 54.88 O HETATM 2888 O HOH 76 -29.393 -1.252 -0.748 1.00 36.18 O HETATM 2889 O HOH 77 -2.915 20.955 2.691 1.00 37.78 O HETATM 2890 O HOH 78 -23.342 6.197 -6.124 1.00 15.19 O HETATM 2891 O HOH 79 -1.535 9.699 3.181 1.00 36.78 O HETATM 2892 O HOH 80 -14.073 0.965 -7.826 1.00 43.94 O HETATM 2893 O HOH 81 -21.070 20.061 12.713 1.00 16.36 O HETATM 2894 O HOH 82 -28.668 28.036 25.512 1.00 21.92 O HETATM 2895 O HOH 83 -21.022 18.880 24.533 1.00 25.63 O HETATM 2896 O HOH 84 -8.381 7.742 15.214 1.00 36.89 O HETATM 2897 O HOH 85 -6.980 25.338 3.850 1.00 43.00 O HETATM 2898 O HOH 86 -8.777 17.499 14.460 1.00 22.97 O HETATM 2899 O HOH 87 -31.690 15.820 36.200 1.00 19.41 O HETATM 2900 O HOH 88 -24.792 5.460 -3.855 1.00 14.64 O HETATM 2901 O HOH 89 -42.620 18.612 7.645 1.00 44.01 O HETATM 2902 O HOH 90 -34.198 21.054 -11.205 1.00 38.52 O HETATM 2903 O HOH 91 -13.641 5.570 16.142 1.00 40.13 O HETATM 2904 O HOH 92 -22.931 -1.357 10.041 1.00 17.89 O HETATM 2905 O HOH 93 -22.621 7.219 18.981 1.00 29.02 O HETATM 2906 O HOH 94 -33.231 17.226 -2.487 1.00 41.49 O HETATM 2907 O HOH 95 -24.747 13.425 -2.735 1.00 14.32 O HETATM 2908 O HOH 96 -26.851 12.524 22.513 1.00 16.65 O HETATM 2909 O HOH 97 -30.610 17.891 -8.981 1.00 30.15 O HETATM 2910 O HOH 98 -26.561 2.565 -5.873 1.00 17.24 O HETATM 2911 O HOH 99 8.325 15.259 10.287 1.00 48.14 O HETATM 2912 O HOH 100 -35.665 27.908 9.592 1.00 29.33 O HETATM 2913 O HOH 101 -29.870 8.801 -3.878 1.00 12.88 O HETATM 2914 O HOH 102 -33.738 0.791 4.493 1.00 24.09 O HETATM 2915 O HOH 103 -24.870 29.772 8.792 1.00 38.74 O HETATM 2916 O HOH 104 -28.710 -2.208 11.208 1.00 29.66 O HETATM 2917 O HOH 105 -36.287 26.805 20.985 1.00 31.22 O HETATM 2918 O HOH 106 -41.572 20.539 9.158 1.00 33.45 O HETATM 2919 O HOH 107 -34.249 -0.272 13.948 1.00 37.88 O HETATM 2920 O HOH 108 -9.069 1.127 -5.759 1.00 39.81 O HETATM 2921 O HOH 109 -9.025 21.796 -1.419 1.00 38.16 O HETATM 2922 O HOH 110 -5.037 24.987 9.420 1.00 31.25 O HETATM 2923 O HOH 111 -21.183 16.887 2.588 1.00 37.91 O HETATM 2924 O HOH 112 -26.384 6.876 23.239 1.00 30.47 O HETATM 2925 O HOH 113 -15.941 34.202 24.163 1.00 47.60 O HETATM 2926 O HOH 114 -27.543 -2.796 8.200 1.00 27.41 O HETATM 2927 O HOH 115 -39.819 23.602 23.926 1.00 40.92 O HETATM 2928 O HOH 116 -37.094 22.763 7.338 1.00 43.54 O HETATM 2929 O HOH 117 -37.927 20.190 27.040 1.00 43.01 O HETATM 2930 O HOH 118 -21.855 20.297 -3.726 1.00 21.09 O HETATM 2931 O HOH 119 -13.454 -2.812 8.070 1.00 34.00 O HETATM 2932 O HOH 120 -39.417 22.093 8.689 1.00 26.74 O HETATM 2933 O HOH 121 -34.202 21.365 32.571 1.00 31.04 O HETATM 2934 O HOH 122 -7.777 13.988 16.750 1.00 36.85 O HETATM 2935 O HOH 123 -23.829 13.673 -5.281 1.00 14.08 O HETATM 2936 O HOH 124 -16.940 5.141 17.778 1.00 31.58 O HETATM 2937 O HOH 125 -2.419 7.863 5.165 1.00 56.61 O HETATM 2938 O HOH 126 -21.855 2.334 13.505 1.00 51.94 O HETATM 2939 O HOH 127 -12.041 6.153 -5.841 1.00 46.41 O HETATM 2940 O HOH 128 -1.264 -2.627 8.020 1.00 45.06 O HETATM 2941 O HOH 129 -7.440 23.695 0.954 1.00 37.70 O HETATM 2942 O HOH 130 -34.550 15.596 6.268 1.00 24.39 O HETATM 2943 O HOH 131 -0.596 20.955 3.767 1.00 33.41 O HETATM 2944 O HOH 132 -30.694 27.268 27.441 1.00 42.14 O HETATM 2945 O HOH 133 -13.721 30.708 21.545 1.00 31.64 O HETATM 2946 O HOH 134 -28.373 7.008 -10.227 1.00 28.08 O HETATM 2947 O HOH 135 -3.289 20.630 -0.993 1.00 46.79 O HETATM 2948 O HOH 136 -18.225 16.340 23.286 1.00 38.59 O HETATM 2949 O HOH 137 -31.814 22.828 -10.120 1.00 32.95 O HETATM 2950 O HOH 138 -30.787 33.017 10.286 1.00 31.04 O HETATM 2951 O HOH 139 -5.754 26.174 6.783 1.00 37.84 O HETATM 2952 O HOH 140 -16.141 21.262 -1.650 1.00 26.24 O HETATM 2953 O HOH 141 -2.131 24.757 9.950 1.00 31.07 O HETATM 2954 O HOH 142 -28.448 34.525 11.220 1.00 30.37 O HETATM 2955 O HOH 143 -28.842 23.236 -3.456 1.00 29.81 O HETATM 2956 O HOH 144 -41.805 13.938 6.877 1.00 33.48 O HETATM 2957 O HOH 145 -14.310 5.494 -6.386 1.00 49.53 O HETATM 2958 O HOH 146 -1.345 24.423 12.659 1.00 35.33 O HETATM 2959 O HOH 147 -23.665 19.327 -13.407 1.00 34.04 O HETATM 2960 O HOH 148 -9.843 17.649 16.978 1.00 26.81 O HETATM 2961 O HOH 149 -3.261 2.592 15.653 1.00 40.72 O HETATM 2962 O HOH 150 -41.793 7.913 12.220 1.00 38.01 O HETATM 2963 O HOH 151 -15.709 11.730 -9.233 1.00 38.77 O HETATM 2964 O HOH 152 -34.687 5.229 -8.555 1.00 23.80 O HETATM 2965 O HOH 153 -33.586 24.241 26.022 1.00 23.93 O HETATM 2966 O HOH 154 -47.959 30.845 6.994 1.00 35.78 O HETATM 2967 O HOH 155 -14.490 15.259 21.058 1.00 23.96 O HETATM 2968 O HOH 156 -27.029 29.529 27.385 1.00 39.33 O HETATM 2969 O HOH 157 -14.364 4.124 -8.241 1.00 46.76 O HETATM 2970 O HOH 158 -35.506 13.800 28.876 1.00 42.41 O HETATM 2971 O HOH 159 -4.532 28.449 6.516 1.00 45.70 O HETATM 2972 O HOH 160 -32.796 11.618 -13.932 1.00 54.54 O HETATM 2973 O HOH 161 -19.661 11.796 -10.105 1.00 40.06 O HETATM 2974 O HOH 162 -27.538 33.132 23.141 1.00 52.49 O HETATM 2975 O HOH 163 1.422 14.549 0.394 1.00 51.34 O HETATM 2976 O HOH 164 -16.072 -3.017 10.699 1.00 58.74 O HETATM 2977 O HOH 165 -15.457 25.364 -2.422 1.00 49.53 O HETATM 2978 O HOH 166 -27.476 3.479 18.475 1.00 54.96 O HETATM 2979 O HOH 167 -34.250 13.767 33.501 1.00 40.52 O HETATM 2980 O HOH 168 -8.829 12.729 -8.963 1.00 39.98 O HETATM 2981 O HOH 169 -34.359 26.018 8.358 1.00 50.09 O HETATM 2982 O HOH 170 -31.657 25.799 7.396 1.00 36.64 O HETATM 2983 O HOH 171 -6.472 0.714 14.834 1.00 48.90 O HETATM 2984 O HOH 172 -26.552 24.027 -4.870 1.00 39.19 O HETATM 2985 O HOH 173 -24.197 19.030 30.821 1.00 23.73 O HETATM 2986 O HOH 174 -12.034 8.047 16.611 1.00 48.89 O HETATM 2987 O HOH 175 -33.386 17.255 8.038 1.00 30.52 O HETATM 2988 O HOH 176 -3.013 -1.967 11.239 1.00 57.87 O HETATM 2989 O HOH 177 -41.305 16.835 7.173 1.00 40.91 O HETATM 2990 O HOH 178 -48.962 23.556 22.808 1.00 57.62 O HETATM 2991 O HOH 179 -45.851 15.640 19.206 1.00 50.71 O HETATM 2992 O HOH 180 -1.692 27.285 8.490 1.00 40.39 O HETATM 2993 O HOH 181 -22.254 30.411 10.268 1.00 27.01 O HETATM 2994 O HOH 182 -25.527 -3.013 9.430 1.00 38.43 O HETATM 2995 O HOH 183 -22.222 25.491 29.413 1.00 49.29 O HETATM 2996 O HOH 184 -32.466 22.096 6.947 1.00 42.66 O HETATM 2997 O HOH 185 -28.463 27.890 2.093 1.00 39.30 O HETATM 2998 O HOH 186 -41.088 15.092 8.698 1.00 44.07 O HETATM 2999 O HOH 187 -29.743 27.434 -5.829 1.00 34.60 O HETATM 3000 O HOH 188 -18.996 4.963 19.005 1.00 55.90 O HETATM 3001 O HOH 189 -32.733 -1.301 2.971 1.00 40.82 O HETATM 3002 O HOH 190 -35.278 17.906 -5.047 1.00 42.84 O HETATM 3003 O HOH 191 -20.814 35.382 25.979 1.00 41.70 O HETATM 3004 O HOH 192 -15.723 13.327 21.685 1.00 48.41 O HETATM 3005 O HOH 193 -10.581 2.018 15.144 1.00 44.33 O HETATM 3006 O HOH 194 -11.107 12.284 18.035 1.00 42.88 O HETATM 3007 O HOH 195 -5.408 29.562 18.972 1.00 54.44 O HETATM 3008 O HOH 196 -18.501 20.862 0.847 1.00 42.95 O HETATM 3009 O HOH 197 -39.658 13.825 -9.708 1.00 43.30 O HETATM 3010 O HOH 198 -39.688 27.682 -11.070 1.00 29.28 O HETATM 3011 O HOH 199 -38.988 16.606 26.041 1.00 54.56 O HETATM 3012 O HOH 200 -38.502 5.509 -9.830 1.00 49.71 O HETATM 3013 O HOH 201 -19.569 18.686 28.960 1.00 56.78 O HETATM 3014 O HOH 202 -15.562 2.817 18.140 1.00 52.77 O HETATM 3015 O HOH 203 -4.543 30.628 17.118 1.00 43.18 O HETATM 3016 O HOH 204 0.000 16.417 0.000 1.00 53.19 O HETATM 3017 O HOH 205 -31.077 37.313 17.655 1.00 46.42 O HETATM 3018 O HOH 206 -25.589 7.895 -10.174 1.00 42.85 O HETATM 3019 O HOH 207 -35.456 4.581 18.898 1.00 32.62 O HETATM 3020 O HOH 208 -9.219 0.581 13.980 1.00 45.59 O HETATM 3021 O HOH 209 -23.341 7.490 -10.158 1.00 55.74 O HETATM 3022 O HOH 210 -25.398 31.504 26.495 1.00 53.94 O HETATM 3023 O HOH 211 -27.844 25.631 -2.074 1.00 44.05 O HETATM 3024 O HOH 212 -4.058 28.684 9.349 1.00 54.91 O HETATM 3025 O HOH 213 -27.102 26.231 0.701 1.00 44.86 O HETATM 3026 O HOH 214 -33.297 24.875 34.952 1.00 30.41 O HETATM 3027 O HOH 215 -32.850 -3.055 4.455 1.00 49.23 O HETATM 3028 O HOH 216 -15.745 6.991 19.404 1.00 48.61 O HETATM 3029 O HOH 217 -30.655 2.528 16.599 1.00 40.85 O HETATM 3030 O HOH 218 -19.114 10.406 20.976 1.00 38.86 O HETATM 3031 O HOH 219 -21.452 8.084 21.028 1.00 41.02 O HETATM 3032 O HOH 220 -37.366 -0.722 9.281 1.00 52.60 O HETATM 3033 O HOH 221 -4.310 12.275 -4.924 1.00 44.70 O HETATM 3034 O HOH 222 -26.332 33.801 27.508 1.00 49.02 O HETATM 3035 O HOH 223 -40.230 0.486 8.881 1.00 62.06 O HETATM 3036 C13 H A 6 -28.351 24.004 5.935 1.00 0.03 C HETATM 3037 C12 H A 6 -27.322 23.052 6.617 1.00 -0.02 C HETATM 3038 C11 H A 6 -25.838 23.481 6.494 1.00 0.03 C HETATM 3039 N10 H A 6 -25.390 23.799 5.089 1.00 -0.29 N HETATM 3040 C21 H A 6 -26.125 25.023 4.494 1.00 0.05 C HETATM 3041 C20 H A 6 -27.524 24.766 3.764 1.00 0.05 C HETATM 3042 N14 H A 6 -28.487 23.830 4.454 1.00 -0.23 N HETATM 3043 S15 H A 6 -29.453 22.649 3.699 1.00 0.06 S HETATM 3044 C17 H A 6 -28.434 21.599 2.636 1.00 0.07 C HETATM 3045 C18 H A 6 -28.756 21.217 1.365 1.00 -0.08 C HETATM 3046 H19 H A 6 -28.077 20.581 0.799 1.00 0.05 H HETATM 3047 H20 H A 6 -29.692 21.549 0.917 1.00 0.05 H HETATM 3048 H3 H A 6 -27.488 21.243 3.042 1.00 0.08 H HETATM 3049 O16 H A 6 -30.495 23.261 2.905 1.00 -0.15 O HETATM 3050 O19 H A 6 -30.121 21.813 4.669 1.00 -0.15 O HETATM 3051 H4 H A 6 -27.309 24.349 2.769 1.00 0.05 H HETATM 3052 H5 H A 6 -28.026 25.738 3.654 1.00 0.05 H HETATM 3053 H6 H A 6 -26.309 25.728 5.318 1.00 0.05 H HETATM 3054 H7 H A 6 -25.451 25.486 3.759 1.00 0.05 H HETATM 3055 C09 H A 6 -25.128 22.597 4.199 1.00 0.12 C HETATM 3056 C08 H A 6 -24.774 21.331 4.787 1.00 0.02 C HETATM 3057 C07 H A 6 -24.525 20.222 3.899 1.00 0.11 C HETATM 3058 N06 H A 6 -24.170 18.917 4.410 1.00 -0.30 N HETATM 3059 C05 H A 6 -23.958 18.605 5.874 1.00 0.04 C HETATM 3060 C04 H A 6 -22.557 19.005 6.428 1.00 0.02 C HETATM 3061 C02 H A 6 -22.507 19.107 7.963 1.00 0.04 C HETATM 3062 O01 H A 6 -23.469 19.710 8.585 1.00 -0.57 O HETATM 3063 O03 H A 6 -21.535 18.602 8.649 1.00 -0.57 O HETATM 3064 H10 H A 6 -21.827 18.248 6.106 1.00 0.04 H HETATM 3065 H11 H A 6 -22.282 19.983 6.005 1.00 0.04 H HETATM 3066 H12 H A 6 -24.722 19.144 6.453 1.00 0.05 H HETATM 3067 H13 H A 6 -24.086 17.522 6.016 1.00 0.05 H HETATM 3068 H23 H A 6 -24.054 18.150 3.732 1.00 0.18 H HETATM 3069 N30 H A 6 -24.628 20.397 2.534 1.00 -0.26 N HETATM 3070 C23 H A 6 -24.968 21.632 2.031 1.00 0.11 C HETATM 3071 C24 H A 6 -25.068 21.778 0.453 1.00 0.08 C HETATM 3072 C25 H A 6 -25.796 22.819 -0.192 1.00 -0.02 C HETATM 3073 C26 H A 6 -25.852 22.901 -1.612 1.00 -0.04 C HETATM 3074 C27 H A 6 -25.171 21.925 -2.380 1.00 -0.03 C HETATM 3075 C28 H A 6 -24.466 20.912 -1.684 1.00 0.01 C HETATM 3076 N29 H A 6 -24.428 20.857 -0.322 1.00 -0.28 N HETATM 3077 H9 H A 6 -23.939 20.155 -2.253 1.00 0.08 H HETATM 3078 H22 H A 6 -25.189 21.952 -3.463 1.00 0.07 H HETATM 3079 H8 H A 6 -26.406 23.696 -2.097 1.00 0.07 H HETATM 3080 H21 H A 6 -26.314 23.559 0.407 1.00 0.08 H HETATM 3081 N22 H A 6 -25.212 22.731 2.823 1.00 -0.26 N HETATM 3082 H14 H A 6 -24.697 21.215 5.862 1.00 0.06 H HETATM 3083 H15 H A 6 -25.211 22.662 6.877 1.00 0.05 H HETATM 3084 H16 H A 6 -25.688 24.378 7.113 1.00 0.05 H HETATM 3085 H17 H A 6 -27.427 22.056 6.161 1.00 0.03 H HETATM 3086 H18 H A 6 -27.571 22.993 7.687 1.00 0.03 H HETATM 3087 H1 H A 6 -28.038 25.041 6.130 1.00 0.05 H HETATM 3088 H2 H A 6 -29.336 23.826 6.392 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 699 700 715 716 717 CONECT 715 699 CONECT 716 699 CONECT 717 699 CONECT 1652 1653 1657 1658 1659 CONECT 1657 1652 CONECT 1658 1652 CONECT 1659 1652 CONECT 1815 1813 1814 2813 CONECT 1834 1832 2813 CONECT 2813 1815 1834 CONECT 3036 3037 3042 3087 3088 CONECT 3037 3036 3038 3085 3086 CONECT 3038 3037 3039 3083 3084 CONECT 3039 3038 3040 3055 CONECT 3040 3039 3041 3053 3054 CONECT 3041 3040 3042 3051 3052 CONECT 3042 3036 3041 3043 CONECT 3043 3042 3044 3049 3050 CONECT 3044 3043 3045 3048 CONECT 3045 3044 3046 3047 CONECT 3046 3045 CONECT 3047 3045 CONECT 3048 3044 CONECT 3049 3043 CONECT 3050 3043 CONECT 3051 3041 CONECT 3052 3041 CONECT 3053 3040 CONECT 3054 3040 CONECT 3055 3039 3056 3081 CONECT 3056 3055 3057 3082 CONECT 3057 3056 3058 3069 CONECT 3058 3057 3059 3068 CONECT 3059 3058 3060 3066 3067 CONECT 3060 3059 3061 3064 3065 CONECT 3061 3060 3062 3063 CONECT 3062 3061 CONECT 3063 3061 CONECT 3064 3060 CONECT 3065 3060 CONECT 3066 3059 CONECT 3067 3059 CONECT 3068 3058 CONECT 3069 3057 3070 CONECT 3070 3069 3071 3081 CONECT 3071 3070 3072 3076 CONECT 3072 3071 3073 3080 CONECT 3073 3072 3074 3079 CONECT 3074 3073 3075 3078 CONECT 3075 3074 3076 3077 CONECT 3076 3071 3075 CONECT 3077 3075 CONECT 3078 3074 CONECT 3079 3073 CONECT 3080 3072 CONECT 3081 3055 3070 CONECT 3082 3056 CONECT 3083 3038 CONECT 3084 3038 CONECT 3085 3037 CONECT 3086 3037 CONECT 3087 3036 CONECT 3088 3036 MASTER 0 0 0 0 0 0 0 0 3085 3 68 24 END
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Structure:
Ligand 2D
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Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6dq6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5isl
RCSB PDB
PDBbind
330aa, >5ISL_1|Chain... *
5ivc
RCSB PDB
PDBbind
330aa, >5IVC_1|Chain... at 100%
5ive
RCSB PDB
PDBbind
330aa, >5IVE_1|Chain... at 100%
5ivf
RCSB PDB
PDBbind
330aa, >5IVF_1|Chain... at 100%
5ivj
RCSB PDB
PDBbind
330aa, >5IVJ_1|Chain... at 100%
5ivv
RCSB PDB
PDBbind
330aa, >5IVV_1|Chain... at 100%
5ivy
RCSB PDB
PDBbind
330aa, >5IVY_1|Chain... at 100%
5iw0
RCSB PDB
PDBbind
330aa, >5IW0_1|Chain... at 100%
6bgu
RCSB PDB
PDBbind
330aa, >6BGU_1|Chain... at 100%
6bgv
RCSB PDB
PDBbind
330aa, >6BGV_1|Chain... at 100%
6bgw
RCSB PDB
PDBbind
330aa, >6BGW_1|Chain... at 100%
6bgx
RCSB PDB
PDBbind
330aa, >6BGX_1|Chain... at 100%
6bgy
RCSB PDB
PDBbind
330aa, >6BGY_1|Chain... at 100%
6bgz
RCSB PDB
PDBbind
330aa, >6BGZ_1|Chain... at 100%
6bh0
RCSB PDB
PDBbind
330aa, >6BH0_1|Chain... at 100%
6bh1
RCSB PDB
PDBbind
330aa, >6BH1_1|Chain... at 100%
6bh2
RCSB PDB
PDBbind
330aa, >6BH2_1|Chain... at 100%
6bh3
RCSB PDB
PDBbind
330aa, >6BH3_1|Chain... at 100%
6bh5
RCSB PDB
PDBbind
330aa, >6BH5_1|Chain... at 100%
6dq4
RCSB PDB
PDBbind
330aa, >6DQ4_1|Chain... at 100%
6dq5
RCSB PDB
PDBbind
330aa, >6DQ5_1|Chain... at 100%
6dq8
RCSB PDB
PDBbind
330aa, >6DQ8_1|Chain... at 100%
6dqa
RCSB PDB
PDBbind
330aa, >6DQA_1|Chain... at 100%
6dqb
RCSB PDB
PDBbind
330aa, >6DQB_1|Chain... 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
6dq6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Linked KDM5A Jmj Domain
Ligand Name
H6J
EC.Number
E.C.1.14.11.-
Resolution
1.59(Å)
Affinity (Kd/Ki/IC50)
Kd=8.5uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 10588-10601
Ligand Properties
Formula
C
1
9
H
2
4
N
6
O
4
S
Molecular Weight
432.497
Exact Mass
432.158
No. of atoms
54
No. of bonds
56
Polar Surface Area
137
LOGP Value
3.00 (
Computed with XLOGP3
)
2.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 3
Canonical SMILES
C=CS(=O)(=O)N1CCCN(CC1)c1cc(NCCC(=O)O)nc(n1)c1ccccn1
InChI String
InChI=1S/C19H24N6O4S/c1-2-30(28,29)25-11-5-10-24(12-13-25)17-14-16(21-9-7-18(26)27)22-19(23-17)15-6-3-4-8-20-15/h2-4,6,8,14H,1,5,7,9-13H2,(H,26,27)(H,21,22,23)
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):
P29375
Entrez Gene ID
NCBI Entrez Gene ID:
5927
ASD
Information of known allosteric effects of PDB entries
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