Browse entries in the PDBbind-CN Database
HEADER 5MWY_COMPLEX COMPND 5MWY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 2 TYR PHE SEQRES 1 A 172 SER PRO VAL MET VAL LEU GLU ASN ILE GLU PRO GLU ILE SEQRES 2 A 172 VAL TYR ALA GLY TYR ASP SER SER LYS PRO ASP THR ALA SEQRES 3 A 172 GLU ASN LEU LEU SER THR LEU ASN ARG LEU ALA GLY LYS SEQRES 4 A 172 GLN MET ILE GLN VAL VAL LYS TRP ALA LYS VAL LEU PRO SEQRES 5 A 172 GLY PHE LYS ASN LEU PRO LEU GLU ASP GLN ILE THR LEU SEQRES 6 A 172 ILE GLN TYR SER TRP MET SER LEU SER SER PHE ALA LEU SEQRES 7 A 172 SER TRP ARG SER TYR LYS HIS THR ASN SER GLN PHE LEU SEQRES 8 A 172 TYR PHE ALA PRO ASP LEU VAL PHE ASN GLU GLU LYS MET SEQRES 9 A 172 HIS GLN SER ALA MET TYR GLU LEU CYS GLN GLY MET HIS SEQRES 10 A 172 GLN ILE SER LEU GLN PHE VAL ARG LEU GLN LEU THR PHE SEQRES 11 A 172 GLU GLU TYR THR ILE MET LYS VAL LEU LEU LEU LEU SER SEQRES 12 A 172 THR ILE PRO LYS ASP GLY LEU LYS SER GLN ALA ALA PHE SEQRES 13 A 172 GLU GLU MET ARG THR ASN TYR ILE LYS GLU LEU ARG LYS SEQRES 14 A 172 MET VAL THR SEQRES 1 A 70 GLY GLN SER TRP GLN ARG PHE TYR GLN LEU THR LYS LEU SEQRES 2 A 70 LEU ASP SER MET HIS ASP LEU VAL SER ASP LEU LEU GLU SEQRES 3 A 70 PHE CYS PHE TYR THR PHE ARG GLU SER HIS ALA LEU LYS SEQRES 4 A 70 VAL GLU PHE PRO ALA MET LEU VAL GLU ILE ILE SER ASP SEQRES 5 A 70 GLN LEU PRO LYS VAL GLU SER GLY ASN ALA LYS PRO LEU SEQRES 6 A 70 TYR PHE HIS ARG LYS HET YNU A 395 60 ATOM 1 N TYR A 731 -20.430 2.019 2.712 1.00 34.04 N ATOM 2 CA TYR A 731 -19.844 3.137 3.447 1.00 33.08 C ATOM 3 C TYR A 731 -19.175 4.157 2.522 1.00 35.62 C ATOM 4 O TYR A 731 -19.397 5.358 2.699 1.00 34.53 O ATOM 5 CB TYR A 731 -18.872 2.634 4.529 1.00 33.82 C ATOM 6 CG TYR A 731 -18.170 3.737 5.291 1.00 34.17 C ATOM 7 CD1 TYR A 731 -18.784 4.370 6.369 1.00 35.64 C ATOM 8 CD2 TYR A 731 -16.890 4.153 4.931 1.00 34.06 C ATOM 9 CE1 TYR A 731 -18.139 5.384 7.072 1.00 35.52 C ATOM 10 CE2 TYR A 731 -16.237 5.165 5.626 1.00 34.07 C ATOM 11 CZ TYR A 731 -16.867 5.780 6.691 1.00 39.08 C ATOM 12 OH TYR A 731 -16.213 6.776 7.354 1.00 37.14 O ATOM 13 HH TYR A 731 -16.787 7.116 8.086 1.00 0.00 H ATOM 14 HN3 TYR A 731 -19.685 1.528 2.178 1.00 0.00 H ATOM 15 HN2 TYR A 731 -21.151 2.378 2.054 1.00 0.00 H ATOM 16 HN1 TYR A 731 -20.870 1.357 3.383 1.00 0.00 H ATOM 17 N PHE A 732 -18.338 3.685 1.564 1.00 31.31 N ATOM 18 CA PHE A 732 -17.636 4.537 0.597 1.00 29.35 C ATOM 19 C PHE A 732 -18.455 4.645 -0.698 1.00 79.41 C ATOM 20 O PHE A 732 -18.173 5.483 -1.554 1.00 48.55 O ATOM 21 CB PHE A 732 -16.230 3.988 0.292 1.00 29.97 C ATOM 22 CG PHE A 732 -15.233 4.062 1.430 1.00 29.29 C ATOM 23 CD1 PHE A 732 -14.796 5.291 1.919 1.00 30.28 C ATOM 24 CD2 PHE A 732 -14.684 2.904 1.971 1.00 30.08 C ATOM 25 CE1 PHE A 732 -13.866 5.357 2.959 1.00 29.52 C ATOM 26 CE2 PHE A 732 -13.742 2.972 3.004 1.00 31.24 C ATOM 27 CZ PHE A 732 -13.343 4.196 3.494 1.00 28.37 C ATOM 28 H PHE A 732 -18.185 2.658 1.512 1.00 0.00 H TER 29 PHE A 732 ATOM 30 N SER A 737 -13.325 4.476 -4.507 1.00 34.39 N ATOM 31 CA SER A 737 -11.869 4.347 -4.451 1.00 32.99 C ATOM 32 C SER A 737 -11.254 5.358 -3.448 1.00 31.76 C ATOM 33 O SER A 737 -10.602 6.327 -3.871 1.00 30.63 O ATOM 34 CB SER A 737 -11.259 4.501 -5.846 1.00 37.99 C ATOM 35 OG SER A 737 -11.726 3.510 -6.750 1.00 49.04 O ATOM 36 HG SER A 737 -11.306 3.649 -7.636 1.00 0.00 H ATOM 37 HN3 SER A 737 -13.575 5.439 -4.810 1.00 0.00 H ATOM 38 HN2 SER A 737 -13.724 4.293 -3.564 1.00 0.00 H ATOM 39 HN1 SER A 737 -13.707 3.787 -5.186 1.00 0.00 H ATOM 40 N PRO A 738 -11.446 5.162 -2.111 1.00 25.16 N ATOM 41 CA PRO A 738 -10.911 6.144 -1.147 1.00 23.34 C ATOM 42 C PRO A 738 -9.396 6.301 -1.114 1.00 21.86 C ATOM 43 O PRO A 738 -8.924 7.385 -0.771 1.00 20.20 O ATOM 44 CB PRO A 738 -11.452 5.658 0.205 1.00 25.53 C ATOM 45 CG PRO A 738 -11.759 4.227 0.007 1.00 30.72 C ATOM 46 CD PRO A 738 -12.216 4.109 -1.415 1.00 27.25 C ATOM 47 N VAL A 739 -8.628 5.252 -1.474 1.00 17.24 N ATOM 48 CA VAL A 739 -7.164 5.360 -1.437 1.00 17.65 C ATOM 49 C VAL A 739 -6.666 6.360 -2.476 1.00 18.52 C ATOM 50 O VAL A 739 -5.719 7.081 -2.196 1.00 15.47 O ATOM 51 CB VAL A 739 -6.428 3.996 -1.513 1.00 23.80 C ATOM 52 CG1 VAL A 739 -4.979 4.132 -1.025 1.00 23.95 C ATOM 53 CG2 VAL A 739 -7.158 2.947 -0.676 1.00 24.31 C ATOM 54 H VAL A 739 -9.074 4.364 -1.779 1.00 0.00 H ATOM 55 N MET A 740 -7.339 6.426 -3.647 1.00 17.68 N ATOM 56 CA MET A 740 -7.045 7.382 -4.725 1.00 18.07 C ATOM 57 C MET A 740 -7.256 8.806 -4.182 1.00 16.78 C ATOM 58 O MET A 740 -6.478 9.705 -4.507 1.00 15.15 O ATOM 59 CB MET A 740 -8.019 7.165 -5.894 1.00 23.04 C ATOM 60 CG MET A 740 -7.436 6.414 -7.073 1.00 30.17 C ATOM 61 SD MET A 740 -8.651 5.629 -8.195 1.00 38.31 S ATOM 62 CE MET A 740 -9.738 6.990 -8.594 1.00 34.66 C ATOM 63 H MET A 740 -8.119 5.754 -3.796 1.00 0.00 H ATOM 64 N VAL A 741 -8.321 9.013 -3.379 1.00 11.25 N ATOM 65 CA VAL A 741 -8.599 10.341 -2.792 1.00 8.84 C ATOM 66 C VAL A 741 -7.454 10.681 -1.825 1.00 11.30 C ATOM 67 O VAL A 741 -6.932 11.787 -1.884 1.00 10.67 O ATOM 68 CB VAL A 741 -9.986 10.415 -2.080 1.00 12.39 C ATOM 69 CG1 VAL A 741 -10.117 11.725 -1.298 1.00 12.13 C ATOM 70 CG2 VAL A 741 -11.135 10.282 -3.091 1.00 12.26 C ATOM 71 H VAL A 741 -8.960 8.220 -3.168 1.00 0.00 H ATOM 72 N LEU A 742 -7.061 9.727 -0.957 1.00 8.72 N ATOM 73 CA LEU A 742 -5.962 9.914 0.010 1.00 7.97 C ATOM 74 C LEU A 742 -4.643 10.368 -0.644 1.00 10.36 C ATOM 75 O LEU A 742 -3.983 11.292 -0.159 1.00 10.63 O ATOM 76 CB LEU A 742 -5.706 8.621 0.795 1.00 7.95 C ATOM 77 CG LEU A 742 -6.856 8.049 1.640 1.00 11.91 C ATOM 78 CD1 LEU A 742 -6.345 6.920 2.497 1.00 11.06 C ATOM 79 CD2 LEU A 742 -7.462 9.096 2.508 1.00 13.57 C ATOM 80 H LEU A 742 -7.557 8.813 -0.970 1.00 0.00 H ATOM 81 N GLU A 743 -4.277 9.726 -1.744 1.00 9.59 N ATOM 82 CA GLU A 743 -3.070 10.058 -2.496 1.00 9.44 C ATOM 83 C GLU A 743 -3.135 11.498 -2.971 1.00 14.08 C ATOM 84 O GLU A 743 -2.128 12.198 -2.963 1.00 16.04 O ATOM 85 CB GLU A 743 -2.938 9.140 -3.713 1.00 10.91 C ATOM 86 CG GLU A 743 -2.542 7.720 -3.317 1.00 25.40 C ATOM 87 CD GLU A 743 -2.539 6.696 -4.433 1.00 49.33 C ATOM 88 OE1 GLU A 743 -3.602 6.486 -5.061 1.00 47.94 O ATOM 89 OE2 GLU A 743 -1.478 6.070 -4.652 1.00 51.90 O ATOM 90 H GLU A 743 -4.877 8.949 -2.088 1.00 0.00 H ATOM 91 N ASN A 744 -4.332 11.954 -3.382 1.00 10.10 N ATOM 92 CA ASN A 744 -4.520 13.303 -3.903 1.00 9.56 C ATOM 93 C ASN A 744 -4.661 14.406 -2.871 1.00 13.68 C ATOM 94 O ASN A 744 -4.402 15.561 -3.200 1.00 15.01 O ATOM 95 CB ASN A 744 -5.724 13.351 -4.843 1.00 9.11 C ATOM 96 CG ASN A 744 -5.511 12.595 -6.117 1.00 20.49 C ATOM 97 OD1 ASN A 744 -4.459 12.716 -6.763 1.00 16.00 O ATOM 98 ND2 ASN A 744 -6.481 11.773 -6.489 1.00 14.12 N ATOM 99 HD22 ASN A 744 -7.348 11.700 -5.919 1.00 0.00 H ATOM 100 HD21 ASN A 744 -6.375 11.200 -7.351 1.00 0.00 H ATOM 101 H ASN A 744 -5.155 11.320 -3.326 1.00 0.00 H ATOM 102 N ILE A 745 -5.073 14.083 -1.648 1.00 9.69 N ATOM 103 CA ILE A 745 -5.263 15.130 -0.623 1.00 7.91 C ATOM 104 C ILE A 745 -4.051 15.284 0.293 1.00 12.91 C ATOM 105 O ILE A 745 -4.085 16.060 1.255 1.00 11.61 O ATOM 106 CB ILE A 745 -6.581 14.970 0.165 1.00 10.91 C ATOM 107 CG1 ILE A 745 -6.619 13.631 0.978 1.00 11.18 C ATOM 108 CG2 ILE A 745 -7.787 15.111 -0.804 1.00 9.92 C ATOM 109 CD1 ILE A 745 -7.683 13.625 2.113 1.00 9.93 C ATOM 110 H ILE A 745 -5.262 13.088 -1.412 1.00 0.00 H ATOM 111 N GLU A 746 -2.974 14.574 -0.008 1.00 13.41 N ATOM 112 CA GLU A 746 -1.769 14.670 0.814 1.00 14.65 C ATOM 113 C GLU A 746 -1.288 16.136 0.868 1.00 19.81 C ATOM 114 O GLU A 746 -1.224 16.781 -0.179 1.00 18.85 O ATOM 115 CB GLU A 746 -0.691 13.729 0.265 1.00 16.92 C ATOM 116 CG GLU A 746 0.451 13.396 1.216 1.00 26.61 C ATOM 117 CD GLU A 746 0.143 12.979 2.644 1.00 40.06 C ATOM 118 OE1 GLU A 746 0.944 13.326 3.542 1.00 42.49 O ATOM 119 OE2 GLU A 746 -0.912 12.351 2.877 1.00 15.67 O ATOM 120 H GLU A 746 -2.986 13.944 -0.835 1.00 0.00 H ATOM 121 N PRO A 747 -1.053 16.714 2.077 1.00 21.06 N ATOM 122 CA PRO A 747 -0.627 18.127 2.145 1.00 22.07 C ATOM 123 C PRO A 747 0.716 18.363 1.453 1.00 27.13 C ATOM 124 O PRO A 747 1.522 17.442 1.346 1.00 27.48 O ATOM 125 CB PRO A 747 -0.544 18.399 3.651 1.00 24.30 C ATOM 126 CG PRO A 747 -1.423 17.327 4.288 1.00 28.87 C ATOM 127 CD PRO A 747 -1.169 16.127 3.428 1.00 23.58 C ATOM 128 N GLU A 748 0.946 19.588 0.971 1.00 24.01 N ATOM 129 CA GLU A 748 2.189 19.963 0.285 1.00 24.75 C ATOM 130 C GLU A 748 3.373 20.114 1.256 1.00 27.39 C ATOM 131 O GLU A 748 3.206 19.949 2.471 1.00 24.02 O ATOM 132 CB GLU A 748 1.992 21.240 -0.559 1.00 27.15 C ATOM 133 CG GLU A 748 1.643 22.501 0.225 1.00 46.03 C ATOM 134 CD GLU A 748 1.671 23.804 -0.558 1.00 85.74 C ATOM 135 OE1 GLU A 748 0.827 23.972 -1.469 1.00 94.12 O ATOM 136 OE2 GLU A 748 2.504 24.679 -0.225 1.00 84.19 O ATOM 137 H GLU A 748 0.208 20.312 1.088 1.00 0.00 H ATOM 138 N ILE A 749 4.554 20.473 0.696 1.00 25.72 N ATOM 139 CA ILE A 749 5.828 20.728 1.382 1.00 25.44 C ATOM 140 C ILE A 749 5.664 21.871 2.365 1.00 23.74 C ATOM 141 O ILE A 749 5.172 22.936 1.976 1.00 24.12 O ATOM 142 CB ILE A 749 6.931 21.052 0.322 1.00 30.25 C ATOM 143 CG1 ILE A 749 7.418 19.782 -0.405 1.00 31.39 C ATOM 144 CG2 ILE A 749 8.122 21.862 0.914 1.00 32.27 C ATOM 145 CD1 ILE A 749 8.286 20.078 -1.725 1.00 41.90 C ATOM 146 H ILE A 749 4.559 20.580 -0.338 1.00 0.00 H ATOM 147 N VAL A 750 6.067 21.668 3.639 1.00 16.50 N ATOM 148 CA VAL A 750 6.029 22.773 4.618 1.00 15.51 C ATOM 149 C VAL A 750 7.496 23.104 4.989 1.00 14.44 C ATOM 150 O VAL A 750 8.213 22.205 5.445 1.00 14.29 O ATOM 151 CB VAL A 750 5.178 22.441 5.886 1.00 19.80 C ATOM 152 CG1 VAL A 750 5.256 23.567 6.895 1.00 19.96 C ATOM 153 CG2 VAL A 750 3.720 22.156 5.530 1.00 20.50 C ATOM 154 H VAL A 750 6.406 20.729 3.931 1.00 0.00 H ATOM 155 N TYR A 751 7.958 24.353 4.743 1.00 10.51 N ATOM 156 CA TYR A 751 9.321 24.752 5.131 1.00 9.74 C ATOM 157 C TYR A 751 9.333 25.022 6.635 1.00 14.68 C ATOM 158 O TYR A 751 8.331 25.477 7.174 1.00 14.13 O ATOM 159 CB TYR A 751 9.785 26.015 4.404 1.00 11.51 C ATOM 160 CG TYR A 751 9.990 25.834 2.922 1.00 13.00 C ATOM 161 CD1 TYR A 751 11.076 25.112 2.430 1.00 11.78 C ATOM 162 CD2 TYR A 751 9.123 26.418 2.007 1.00 16.38 C ATOM 163 CE1 TYR A 751 11.286 24.970 1.060 1.00 9.24 C ATOM 164 CE2 TYR A 751 9.322 26.286 0.638 1.00 19.04 C ATOM 165 CZ TYR A 751 10.383 25.533 0.169 1.00 23.06 C ATOM 166 OH TYR A 751 10.504 25.398 -1.182 1.00 23.39 O ATOM 167 HH TYR A 751 9.691 24.963 -1.543 1.00 0.00 H ATOM 168 H TYR A 751 7.339 25.043 4.271 1.00 0.00 H ATOM 169 N ALA A 752 10.484 24.804 7.302 1.00 12.13 N ATOM 170 CA ALA A 752 10.606 25.026 8.741 1.00 11.43 C ATOM 171 C ALA A 752 10.806 26.503 9.090 1.00 16.20 C ATOM 172 O ALA A 752 10.366 26.939 10.158 1.00 16.00 O ATOM 173 CB ALA A 752 11.772 24.223 9.283 1.00 11.93 C ATOM 174 H ALA A 752 11.314 24.466 6.774 1.00 0.00 H ATOM 175 N GLY A 753 11.510 27.237 8.227 1.00 11.16 N ATOM 176 CA GLY A 753 11.865 28.630 8.495 1.00 12.78 C ATOM 177 C GLY A 753 13.069 28.665 9.423 1.00 19.19 C ATOM 178 O GLY A 753 13.196 29.572 10.244 1.00 20.61 O ATOM 179 H GLY A 753 11.817 26.804 7.333 1.00 0.00 H ATOM 180 N TYR A 754 13.942 27.639 9.327 1.00 16.22 N ATOM 181 CA TYR A 754 15.143 27.478 10.133 1.00 16.00 C ATOM 182 C TYR A 754 16.160 28.532 9.747 1.00 21.32 C ATOM 183 O TYR A 754 16.460 28.691 8.561 1.00 20.00 O ATOM 184 CB TYR A 754 15.709 26.060 9.938 1.00 15.89 C ATOM 185 CG TYR A 754 17.095 25.846 10.507 1.00 18.86 C ATOM 186 CD1 TYR A 754 17.334 25.940 11.878 1.00 20.75 C ATOM 187 CD2 TYR A 754 18.155 25.489 9.683 1.00 19.23 C ATOM 188 CE1 TYR A 754 18.604 25.725 12.404 1.00 22.45 C ATOM 189 CE2 TYR A 754 19.431 25.301 10.192 1.00 20.81 C ATOM 190 CZ TYR A 754 19.652 25.422 11.551 1.00 30.29 C ATOM 191 OH TYR A 754 20.915 25.191 12.013 1.00 33.79 O ATOM 192 HH TYR A 754 20.933 25.311 12.996 1.00 0.00 H ATOM 193 H TYR A 754 13.740 26.904 8.619 1.00 0.00 H ATOM 194 N ASP A 755 16.650 29.275 10.747 1.00 19.89 N ATOM 195 CA ASP A 755 17.617 30.345 10.579 1.00 21.50 C ATOM 196 C ASP A 755 18.960 29.787 10.976 1.00 26.04 C ATOM 197 O ASP A 755 19.296 29.755 12.166 1.00 25.83 O ATOM 198 CB ASP A 755 17.233 31.574 11.441 1.00 23.89 C ATOM 199 CG ASP A 755 18.110 32.802 11.258 1.00 36.82 C ATOM 200 OD1 ASP A 755 19.239 32.656 10.758 1.00 36.44 O ATOM 201 OD2 ASP A 755 17.659 33.912 11.614 1.00 46.92 O ATOM 202 H ASP A 755 16.315 29.072 11.710 1.00 0.00 H ATOM 203 N SER A 756 19.737 29.345 9.973 1.00 23.11 N ATOM 204 CA SER A 756 21.065 28.773 10.184 1.00 23.20 C ATOM 205 C SER A 756 22.119 29.810 10.593 1.00 30.70 C ATOM 206 O SER A 756 23.209 29.419 10.997 1.00 31.42 O ATOM 207 CB SER A 756 21.517 27.987 8.961 1.00 24.20 C ATOM 208 OG SER A 756 21.596 28.804 7.806 1.00 27.35 O ATOM 209 HG SER A 756 21.892 28.257 7.036 1.00 0.00 H ATOM 210 H SER A 756 19.376 29.413 9.000 1.00 0.00 H ATOM 211 N SER A 757 21.794 31.123 10.531 1.00 28.85 N ATOM 212 CA SER A 757 22.726 32.183 10.942 1.00 30.45 C ATOM 213 C SER A 757 22.693 32.372 12.473 1.00 38.58 C ATOM 214 O SER A 757 23.562 33.044 13.030 1.00 40.34 O ATOM 215 CB SER A 757 22.422 33.489 10.213 1.00 32.51 C ATOM 216 OG SER A 757 21.378 34.224 10.831 1.00 39.29 O ATOM 217 HG SER A 757 20.552 33.679 10.839 1.00 0.00 H ATOM 218 H SER A 757 20.852 31.391 10.180 1.00 0.00 H ATOM 219 N LYS A 758 21.669 31.794 13.131 1.00 36.51 N ATOM 220 CA LYS A 758 21.468 31.791 14.580 1.00 36.91 C ATOM 221 C LYS A 758 22.208 30.573 15.172 1.00 41.21 C ATOM 222 O LYS A 758 22.362 29.564 14.470 1.00 39.83 O ATOM 223 CB LYS A 758 19.972 31.708 14.921 1.00 39.11 C ATOM 224 CG LYS A 758 19.217 33.023 14.762 1.00 58.06 C ATOM 225 CD LYS A 758 17.735 32.845 15.085 1.00 69.52 C ATOM 226 CE LYS A 758 16.947 34.123 14.919 1.00 82.15 C ATOM 227 NZ LYS A 758 15.482 33.890 15.025 1.00 90.57 N ATOM 228 HZ1 LYS A 758 15.184 33.224 14.284 1.00 0.00 H ATOM 229 HZ2 LYS A 758 15.262 33.491 15.960 1.00 0.00 H ATOM 230 HZ3 LYS A 758 14.979 34.792 14.905 1.00 0.00 H ATOM 231 H LYS A 758 20.955 31.304 12.555 1.00 0.00 H ATOM 232 N PRO A 759 22.694 30.636 16.438 1.00 38.87 N ATOM 233 CA PRO A 759 23.412 29.477 16.997 1.00 38.61 C ATOM 234 C PRO A 759 22.487 28.285 17.188 1.00 40.78 C ATOM 235 O PRO A 759 21.298 28.467 17.483 1.00 40.05 O ATOM 236 CB PRO A 759 23.969 30.001 18.324 1.00 41.37 C ATOM 237 CG PRO A 759 23.065 31.119 18.703 1.00 45.80 C ATOM 238 CD PRO A 759 22.622 31.748 17.413 1.00 41.06 C ATOM 239 N ASP A 760 23.015 27.069 16.983 1.00 35.90 N ATOM 240 CA ASP A 760 22.202 25.870 17.107 1.00 34.57 C ATOM 241 C ASP A 760 22.148 25.351 18.527 1.00 35.25 C ATOM 242 O ASP A 760 22.690 24.284 18.848 1.00 36.03 O ATOM 243 CB ASP A 760 22.621 24.802 16.105 1.00 36.99 C ATOM 244 CG ASP A 760 22.171 25.145 14.713 1.00 49.36 C ATOM 245 OD1 ASP A 760 21.033 25.643 14.566 1.00 50.20 O ATOM 246 OD2 ASP A 760 22.963 24.942 13.767 1.00 55.68 O ATOM 247 H ASP A 760 24.020 26.983 16.732 1.00 0.00 H ATOM 248 N THR A 761 21.485 26.137 19.385 1.00 27.41 N ATOM 249 CA THR A 761 21.275 25.807 20.787 1.00 24.82 C ATOM 250 C THR A 761 20.037 24.943 20.800 1.00 23.64 C ATOM 251 O THR A 761 19.304 24.950 19.823 1.00 20.18 O ATOM 252 CB THR A 761 21.013 27.080 21.597 1.00 30.53 C ATOM 253 OG1 THR A 761 19.899 27.772 21.037 1.00 22.65 O ATOM 254 CG2 THR A 761 22.239 27.998 21.689 1.00 32.52 C ATOM 255 HG1 THR A 761 19.100 27.188 21.067 1.00 0.00 H ATOM 256 H THR A 761 21.098 27.034 19.029 1.00 0.00 H ATOM 257 N ALA A 762 19.780 24.234 21.906 1.00 20.82 N ATOM 258 CA ALA A 762 18.586 23.435 22.081 1.00 19.80 C ATOM 259 C ALA A 762 17.344 24.321 21.949 1.00 22.78 C ATOM 260 O ALA A 762 16.418 23.940 21.250 1.00 21.09 O ATOM 261 CB ALA A 762 18.609 22.764 23.443 1.00 21.07 C ATOM 262 H ALA A 762 20.474 24.259 22.680 1.00 0.00 H ATOM 263 N GLU A 763 17.360 25.537 22.550 1.00 20.16 N ATOM 264 CA GLU A 763 16.210 26.450 22.508 1.00 19.85 C ATOM 265 C GLU A 763 15.866 26.902 21.099 1.00 20.88 C ATOM 266 O GLU A 763 14.690 26.906 20.750 1.00 18.82 O ATOM 267 CB GLU A 763 16.368 27.652 23.468 1.00 22.17 C ATOM 268 CG GLU A 763 17.740 28.312 23.493 1.00 41.30 C ATOM 269 CD GLU A 763 18.838 27.696 24.353 1.00 63.75 C ATOM 270 OE1 GLU A 763 18.714 26.517 24.767 1.00 41.38 O ATOM 271 OE2 GLU A 763 19.859 28.391 24.567 1.00 54.59 O ATOM 272 H GLU A 763 18.217 25.834 23.059 1.00 0.00 H ATOM 273 N ASN A 764 16.872 27.219 20.277 1.00 17.43 N ATOM 274 CA ASN A 764 16.642 27.654 18.902 1.00 17.03 C ATOM 275 C ASN A 764 16.125 26.512 18.040 1.00 17.28 C ATOM 276 O ASN A 764 15.157 26.705 17.295 1.00 15.74 O ATOM 277 CB ASN A 764 17.889 28.294 18.299 1.00 21.29 C ATOM 278 CG ASN A 764 18.239 29.640 18.907 1.00 56.38 C ATOM 279 OD1 ASN A 764 17.372 30.484 19.177 1.00 54.36 O ATOM 280 ND2 ASN A 764 19.525 29.878 19.122 1.00 50.61 N ATOM 281 HD22 ASN A 764 20.234 29.154 18.887 1.00 0.00 H ATOM 282 HD21 ASN A 764 19.825 30.788 19.525 1.00 0.00 H ATOM 283 H ASN A 764 17.849 27.154 20.628 1.00 0.00 H ATOM 284 N LEU A 765 16.728 25.318 18.154 1.00 14.63 N ATOM 285 CA LEU A 765 16.237 24.169 17.375 1.00 12.93 C ATOM 286 C LEU A 765 14.845 23.746 17.797 1.00 12.00 C ATOM 287 O LEU A 765 13.978 23.562 16.943 1.00 11.32 O ATOM 288 CB LEU A 765 17.202 22.967 17.412 1.00 14.41 C ATOM 289 CG LEU A 765 18.468 23.089 16.561 1.00 20.65 C ATOM 290 CD1 LEU A 765 19.416 21.951 16.882 1.00 21.92 C ATOM 291 CD2 LEU A 765 18.149 23.078 15.062 1.00 23.63 C ATOM 292 H LEU A 765 17.541 25.205 18.792 1.00 0.00 H ATOM 293 N LEU A 766 14.595 23.631 19.100 1.00 9.23 N ATOM 294 CA LEU A 766 13.265 23.206 19.553 1.00 9.32 C ATOM 295 C LEU A 766 12.169 24.220 19.167 1.00 12.29 C ATOM 296 O LEU A 766 11.076 23.806 18.765 1.00 11.70 O ATOM 297 CB LEU A 766 13.240 22.856 21.057 1.00 10.03 C ATOM 298 CG LEU A 766 14.163 21.731 21.537 1.00 15.19 C ATOM 299 CD1 LEU A 766 14.104 21.583 23.024 1.00 16.61 C ATOM 300 CD2 LEU A 766 13.899 20.409 20.808 1.00 15.48 C ATOM 301 H LEU A 766 15.340 23.842 19.795 1.00 0.00 H ATOM 302 N SER A 767 12.484 25.539 19.197 1.00 10.26 N ATOM 303 CA SER A 767 11.524 26.594 18.799 1.00 9.14 C ATOM 304 C SER A 767 11.214 26.476 17.313 1.00 11.58 C ATOM 305 O SER A 767 10.057 26.593 16.926 1.00 10.39 O ATOM 306 CB SER A 767 12.049 27.991 19.133 1.00 10.09 C ATOM 307 OG SER A 767 12.246 28.137 20.530 1.00 14.09 O ATOM 308 HG SER A 767 12.904 27.466 20.841 1.00 0.00 H ATOM 309 H SER A 767 13.435 25.820 19.511 1.00 0.00 H ATOM 310 N THR A 768 12.233 26.185 16.481 1.00 9.72 N ATOM 311 CA THR A 768 12.012 25.981 15.053 1.00 8.99 C ATOM 312 C THR A 768 11.145 24.739 14.852 1.00 9.40 C ATOM 313 O THR A 768 10.224 24.756 14.029 1.00 9.16 O ATOM 314 CB THR A 768 13.349 25.830 14.327 1.00 14.20 C ATOM 315 OG1 THR A 768 14.133 26.990 14.585 1.00 14.92 O ATOM 316 CG2 THR A 768 13.190 25.659 12.818 1.00 14.41 C ATOM 317 HG1 THR A 768 14.284 27.075 15.560 1.00 0.00 H ATOM 318 H THR A 768 13.196 26.104 16.864 1.00 0.00 H ATOM 319 N LEU A 769 11.415 23.669 15.612 1.00 7.72 N ATOM 320 CA LEU A 769 10.612 22.440 15.474 1.00 6.57 C ATOM 321 C LEU A 769 9.150 22.712 15.840 1.00 7.70 C ATOM 322 O LEU A 769 8.233 22.282 15.119 1.00 6.25 O ATOM 323 CB LEU A 769 11.201 21.273 16.267 1.00 7.12 C ATOM 324 CG LEU A 769 12.508 20.673 15.742 1.00 9.02 C ATOM 325 CD1 LEU A 769 12.900 19.474 16.585 1.00 9.98 C ATOM 326 CD2 LEU A 769 12.379 20.228 14.295 1.00 9.84 C ATOM 327 H LEU A 769 12.193 23.705 16.301 1.00 0.00 H ATOM 328 N ASN A 770 8.927 23.482 16.947 1.00 6.94 N ATOM 329 CA ASN A 770 7.575 23.864 17.366 1.00 6.93 C ATOM 330 C ASN A 770 6.864 24.726 16.316 1.00 10.52 C ATOM 331 O ASN A 770 5.681 24.538 16.037 1.00 8.61 O ATOM 332 CB ASN A 770 7.623 24.597 18.708 1.00 9.18 C ATOM 333 CG ASN A 770 7.909 23.659 19.821 1.00 17.01 C ATOM 334 OD1 ASN A 770 7.740 22.464 19.676 1.00 12.47 O ATOM 335 ND2 ASN A 770 8.326 24.163 20.947 1.00 10.24 N ATOM 336 HD22 ASN A 770 8.461 25.190 21.039 1.00 0.00 H ATOM 337 HD21 ASN A 770 8.524 23.538 21.754 1.00 0.00 H ATOM 338 H ASN A 770 9.740 23.806 17.508 1.00 0.00 H ATOM 339 N ARG A 771 7.587 25.636 15.701 1.00 9.81 N ATOM 340 CA ARG A 771 7.001 26.484 14.669 1.00 9.22 C ATOM 341 C ARG A 771 6.587 25.618 13.474 1.00 9.57 C ATOM 342 O ARG A 771 5.493 25.809 12.924 1.00 10.09 O ATOM 343 CB ARG A 771 8.040 27.526 14.242 1.00 8.91 C ATOM 344 CG ARG A 771 7.476 28.646 13.388 1.00 14.66 C ATOM 345 CD ARG A 771 8.496 29.782 13.189 1.00 32.57 C ATOM 346 NE ARG A 771 9.815 29.333 12.717 1.00 44.46 N ATOM 347 CZ ARG A 771 10.947 29.405 13.422 1.00 56.05 C ATOM 348 NH1 ARG A 771 12.090 28.982 12.897 1.00 41.46 N ATOM 349 NH2 ARG A 771 10.943 29.896 14.657 1.00 37.83 N ATOM 350 HE ARG A 771 9.870 28.928 11.761 1.00 0.00 H ATOM 351 HH12 ARG A 771 12.969 29.040 13.450 1.00 0.00 H ATOM 352 HH11 ARG A 771 12.107 28.592 11.933 1.00 0.00 H ATOM 353 HH22 ARG A 771 11.829 29.948 15.199 1.00 0.00 H ATOM 354 HH21 ARG A 771 10.054 30.228 15.082 1.00 0.00 H ATOM 355 H ARG A 771 8.589 25.753 15.954 1.00 0.00 H ATOM 356 N LEU A 772 7.449 24.647 13.090 1.00 7.34 N ATOM 357 CA LEU A 772 7.163 23.737 11.988 1.00 7.46 C ATOM 358 C LEU A 772 5.916 22.898 12.312 1.00 10.10 C ATOM 359 O LEU A 772 5.010 22.792 11.466 1.00 10.05 O ATOM 360 CB LEU A 772 8.394 22.850 11.679 1.00 7.73 C ATOM 361 CG LEU A 772 8.134 21.714 10.691 1.00 11.22 C ATOM 362 CD1 LEU A 772 7.793 22.263 9.307 1.00 12.83 C ATOM 363 CD2 LEU A 772 9.345 20.837 10.574 1.00 7.69 C ATOM 364 H LEU A 772 8.349 24.547 13.601 1.00 0.00 H ATOM 365 N ALA A 773 5.821 22.392 13.561 1.00 7.66 N ATOM 366 CA ALA A 773 4.677 21.613 14.053 1.00 7.70 C ATOM 367 C ALA A 773 3.369 22.402 13.918 1.00 9.36 C ATOM 368 O ALA A 773 2.373 21.845 13.481 1.00 7.64 O ATOM 369 CB ALA A 773 4.894 21.210 15.506 1.00 8.97 C ATOM 370 H ALA A 773 6.609 22.565 14.217 1.00 0.00 H ATOM 371 N GLY A 774 3.373 23.689 14.284 1.00 7.73 N ATOM 372 CA GLY A 774 2.177 24.518 14.154 1.00 8.69 C ATOM 373 C GLY A 774 1.750 24.631 12.706 1.00 12.39 C ATOM 374 O GLY A 774 0.565 24.493 12.382 1.00 11.49 O ATOM 375 H GLY A 774 4.244 24.107 14.668 1.00 0.00 H ATOM 376 N LYS A 775 2.723 24.854 11.815 1.00 8.78 N ATOM 377 CA LYS A 775 2.429 25.000 10.384 1.00 9.97 C ATOM 378 C LYS A 775 1.852 23.686 9.845 1.00 12.69 C ATOM 379 O LYS A 775 0.860 23.705 9.133 1.00 12.19 O ATOM 380 CB LYS A 775 3.688 25.369 9.618 1.00 11.84 C ATOM 381 CG LYS A 775 4.043 26.836 9.658 1.00 22.70 C ATOM 382 CD LYS A 775 4.787 27.192 8.379 1.00 35.56 C ATOM 383 CE LYS A 775 6.220 27.576 8.624 1.00 40.87 C ATOM 384 NZ LYS A 775 6.895 27.950 7.350 1.00 46.54 N ATOM 385 HZ1 LYS A 775 6.872 27.141 6.696 1.00 0.00 H ATOM 386 HZ2 LYS A 775 6.400 28.758 6.921 1.00 0.00 H ATOM 387 HZ3 LYS A 775 7.883 28.211 7.546 1.00 0.00 H ATOM 388 H LYS A 775 3.707 24.925 12.143 1.00 0.00 H ATOM 389 N GLN A 776 2.432 22.546 10.250 1.00 10.19 N ATOM 390 CA GLN A 776 1.956 21.225 9.839 1.00 8.87 C ATOM 391 C GLN A 776 0.604 20.937 10.413 1.00 11.27 C ATOM 392 O GLN A 776 -0.212 20.301 9.740 1.00 9.20 O ATOM 393 CB GLN A 776 2.930 20.147 10.308 1.00 8.96 C ATOM 394 CG GLN A 776 4.235 20.181 9.535 1.00 15.09 C ATOM 395 CD GLN A 776 5.180 19.153 10.050 1.00 28.74 C ATOM 396 OE1 GLN A 776 4.906 18.470 11.046 1.00 23.98 O ATOM 397 NE2 GLN A 776 6.304 19.009 9.371 1.00 27.85 N ATOM 398 HE22 GLN A 776 6.490 19.606 8.540 1.00 0.00 H ATOM 399 HE21 GLN A 776 7.003 18.298 9.667 1.00 0.00 H ATOM 400 H GLN A 776 3.255 22.604 10.883 1.00 0.00 H ATOM 401 N MET A 777 0.317 21.440 11.623 1.00 10.45 N ATOM 402 CA MET A 777 -0.984 21.153 12.216 1.00 10.42 C ATOM 403 C MET A 777 -2.139 21.846 11.473 1.00 14.57 C ATOM 404 O MET A 777 -3.210 21.244 11.333 1.00 16.23 O ATOM 405 CB MET A 777 -0.997 21.395 13.716 1.00 13.01 C ATOM 406 CG MET A 777 -0.273 20.286 14.503 1.00 16.31 C ATOM 407 SD MET A 777 -0.639 18.570 14.001 1.00 20.97 S ATOM 408 CE MET A 777 -2.498 18.551 14.301 1.00 17.64 C ATOM 409 H MET A 777 1.011 22.025 12.130 1.00 0.00 H ATOM 410 N ILE A 778 -1.885 23.001 10.851 1.00 11.21 N ATOM 411 CA ILE A 778 -2.899 23.662 10.015 1.00 11.74 C ATOM 412 C ILE A 778 -3.139 22.791 8.768 1.00 13.16 C ATOM 413 O ILE A 778 -4.281 22.621 8.352 1.00 13.54 O ATOM 414 CB ILE A 778 -2.431 25.082 9.656 1.00 15.38 C ATOM 415 CG1 ILE A 778 -2.314 25.943 10.947 1.00 14.63 C ATOM 416 CG2 ILE A 778 -3.367 25.735 8.612 1.00 18.98 C ATOM 417 CD1 ILE A 778 -1.560 27.274 10.767 1.00 24.46 C ATOM 418 H ILE A 778 -0.950 23.442 10.960 1.00 0.00 H ATOM 419 N GLN A 779 -2.070 22.191 8.228 1.00 10.27 N ATOM 420 CA GLN A 779 -2.178 21.287 7.074 1.00 9.61 C ATOM 421 C GLN A 779 -2.953 20.018 7.469 1.00 12.58 C ATOM 422 O GLN A 779 -3.777 19.524 6.683 1.00 10.84 O ATOM 423 CB GLN A 779 -0.794 20.934 6.511 1.00 11.46 C ATOM 424 CG GLN A 779 -0.066 22.083 5.796 1.00 19.32 C ATOM 425 CD GLN A 779 -0.947 22.896 4.857 1.00 49.65 C ATOM 426 OE1 GLN A 779 -1.119 24.108 5.030 1.00 49.14 O ATOM 427 NE2 GLN A 779 -1.560 22.251 3.866 1.00 44.55 N ATOM 428 HE22 GLN A 779 -1.404 21.231 3.735 1.00 0.00 H ATOM 429 HE21 GLN A 779 -2.194 22.767 3.224 1.00 0.00 H ATOM 430 H GLN A 779 -1.132 22.371 8.639 1.00 0.00 H ATOM 431 N VAL A 780 -2.744 19.518 8.709 1.00 8.92 N ATOM 432 CA VAL A 780 -3.490 18.338 9.167 1.00 8.23 C ATOM 433 C VAL A 780 -4.996 18.638 9.214 1.00 11.85 C ATOM 434 O VAL A 780 -5.803 17.819 8.761 1.00 10.24 O ATOM 435 CB VAL A 780 -2.980 17.856 10.556 1.00 12.24 C ATOM 436 CG1 VAL A 780 -3.991 16.905 11.214 1.00 12.22 C ATOM 437 CG2 VAL A 780 -1.603 17.214 10.434 1.00 12.90 C ATOM 438 H VAL A 780 -2.053 19.971 9.340 1.00 0.00 H ATOM 439 N VAL A 781 -5.389 19.832 9.718 1.00 9.62 N ATOM 440 CA VAL A 781 -6.810 20.182 9.809 1.00 10.46 C ATOM 441 C VAL A 781 -7.454 20.255 8.417 1.00 13.59 C ATOM 442 O VAL A 781 -8.521 19.663 8.222 1.00 13.39 O ATOM 443 CB VAL A 781 -7.057 21.443 10.674 1.00 14.61 C ATOM 444 CG1 VAL A 781 -8.540 21.733 10.772 1.00 15.14 C ATOM 445 CG2 VAL A 781 -6.465 21.258 12.075 1.00 13.91 C ATOM 446 H VAL A 781 -4.672 20.511 10.045 1.00 0.00 H ATOM 447 N LYS A 782 -6.767 20.890 7.436 1.00 9.57 N ATOM 448 CA LYS A 782 -7.266 21.004 6.050 1.00 9.53 C ATOM 449 C LYS A 782 -7.426 19.615 5.396 1.00 11.93 C ATOM 450 O LYS A 782 -8.443 19.351 4.750 1.00 13.09 O ATOM 451 CB LYS A 782 -6.353 21.924 5.213 1.00 11.84 C ATOM 452 CG LYS A 782 -6.384 23.364 5.733 1.00 33.03 C ATOM 453 CD LYS A 782 -5.878 24.389 4.722 1.00 48.58 C ATOM 454 CE LYS A 782 -6.044 25.796 5.262 1.00 54.87 C ATOM 455 NZ LYS A 782 -5.528 26.823 4.317 1.00 60.83 N ATOM 456 HZ1 LYS A 782 -4.515 26.658 4.147 1.00 0.00 H ATOM 457 HZ2 LYS A 782 -6.047 26.757 3.418 1.00 0.00 H ATOM 458 HZ3 LYS A 782 -5.662 27.769 4.728 1.00 0.00 H ATOM 459 H LYS A 782 -5.847 21.316 7.669 1.00 0.00 H ATOM 460 N TRP A 783 -6.472 18.718 5.656 1.00 8.40 N ATOM 461 CA TRP A 783 -6.467 17.325 5.163 1.00 8.78 C ATOM 462 C TRP A 783 -7.657 16.582 5.760 1.00 14.40 C ATOM 463 O TRP A 783 -8.467 15.998 5.017 1.00 13.16 O ATOM 464 CB TRP A 783 -5.155 16.665 5.589 1.00 7.74 C ATOM 465 CG TRP A 783 -5.111 15.176 5.480 1.00 7.99 C ATOM 466 CD1 TRP A 783 -4.923 14.437 4.345 1.00 10.75 C ATOM 467 CD2 TRP A 783 -5.161 14.248 6.561 1.00 7.57 C ATOM 468 NE1 TRP A 783 -4.859 13.104 4.658 1.00 9.64 N ATOM 469 CE2 TRP A 783 -4.991 12.956 6.013 1.00 11.29 C ATOM 470 CE3 TRP A 783 -5.325 14.379 7.954 1.00 8.30 C ATOM 471 CZ2 TRP A 783 -4.990 11.799 6.810 1.00 10.98 C ATOM 472 CZ3 TRP A 783 -5.261 13.244 8.744 1.00 10.47 C ATOM 473 CH2 TRP A 783 -5.134 11.969 8.172 1.00 11.51 C ATOM 474 HE1 TRP A 783 -4.731 12.329 3.976 1.00 0.00 H ATOM 475 H TRP A 783 -5.674 19.022 6.249 1.00 0.00 H ATOM 476 N ALA A 784 -7.763 16.598 7.098 1.00 12.23 N ATOM 477 CA ALA A 784 -8.867 15.926 7.814 1.00 13.50 C ATOM 478 C ALA A 784 -10.237 16.366 7.312 1.00 16.97 C ATOM 479 O ALA A 784 -11.108 15.518 7.117 1.00 15.71 O ATOM 480 CB ALA A 784 -8.745 16.167 9.309 1.00 14.60 C ATOM 481 H ALA A 784 -7.041 17.102 7.651 1.00 0.00 H ATOM 482 N LYS A 785 -10.424 17.671 7.024 1.00 13.27 N ATOM 483 CA LYS A 785 -11.719 18.181 6.551 1.00 14.66 C ATOM 484 C LYS A 785 -12.200 17.492 5.284 1.00 19.18 C ATOM 485 O LYS A 785 -13.397 17.258 5.150 1.00 21.58 O ATOM 486 CB LYS A 785 -11.682 19.703 6.344 1.00 17.35 C ATOM 487 CG LYS A 785 -11.740 20.465 7.662 1.00 20.49 C ATOM 488 CD LYS A 785 -11.548 21.964 7.460 1.00 29.36 C ATOM 489 CE LYS A 785 -12.840 22.663 7.104 1.00 36.40 C ATOM 490 NZ LYS A 785 -12.572 24.002 6.519 1.00 46.33 N ATOM 491 HZ1 LYS A 785 -12.055 24.583 7.209 1.00 0.00 H ATOM 492 HZ2 LYS A 785 -12.000 23.894 5.657 1.00 0.00 H ATOM 493 HZ3 LYS A 785 -13.474 24.463 6.283 1.00 0.00 H ATOM 494 H LYS A 785 -9.631 18.334 7.140 1.00 0.00 H ATOM 495 N VAL A 786 -11.268 17.126 4.388 1.00 12.25 N ATOM 496 CA VAL A 786 -11.608 16.499 3.108 1.00 11.57 C ATOM 497 C VAL A 786 -11.365 14.999 3.116 1.00 15.36 C ATOM 498 O VAL A 786 -11.438 14.360 2.072 1.00 14.15 O ATOM 499 CB VAL A 786 -10.922 17.194 1.913 1.00 15.30 C ATOM 500 CG1 VAL A 786 -11.456 18.627 1.733 1.00 16.30 C ATOM 501 CG2 VAL A 786 -9.388 17.157 2.031 1.00 14.10 C ATOM 502 H VAL A 786 -10.266 17.294 4.612 1.00 0.00 H ATOM 503 N LEU A 787 -11.086 14.428 4.294 1.00 10.44 N ATOM 504 CA LEU A 787 -10.838 12.997 4.439 1.00 10.54 C ATOM 505 C LEU A 787 -12.172 12.263 4.325 1.00 14.71 C ATOM 506 O LEU A 787 -13.052 12.563 5.125 1.00 13.00 O ATOM 507 CB LEU A 787 -10.261 12.810 5.832 1.00 11.50 C ATOM 508 CG LEU A 787 -9.631 11.494 6.247 1.00 17.19 C ATOM 509 CD1 LEU A 787 -8.645 10.973 5.206 1.00 17.62 C ATOM 510 CD2 LEU A 787 -8.828 11.718 7.512 1.00 19.18 C ATOM 511 H LEU A 787 -11.044 15.029 5.142 1.00 0.00 H ATOM 512 N PRO A 788 -12.351 11.277 3.406 1.00 12.74 N ATOM 513 CA PRO A 788 -13.675 10.595 3.317 1.00 13.56 C ATOM 514 C PRO A 788 -14.125 10.003 4.645 1.00 16.92 C ATOM 515 O PRO A 788 -13.343 9.348 5.339 1.00 17.71 O ATOM 516 CB PRO A 788 -13.473 9.534 2.235 1.00 15.93 C ATOM 517 CG PRO A 788 -12.303 10.044 1.423 1.00 19.02 C ATOM 518 CD PRO A 788 -11.414 10.766 2.384 1.00 14.03 C ATOM 519 N GLY A 789 -15.341 10.367 5.030 1.00 14.89 N ATOM 520 CA GLY A 789 -15.980 9.962 6.277 1.00 14.36 C ATOM 521 C GLY A 789 -15.760 10.855 7.482 1.00 14.99 C ATOM 522 O GLY A 789 -16.557 10.794 8.420 1.00 14.97 O ATOM 523 H GLY A 789 -15.880 10.989 4.394 1.00 0.00 H ATOM 524 N PHE A 790 -14.677 11.671 7.504 1.00 10.49 N ATOM 525 CA PHE A 790 -14.380 12.505 8.683 1.00 9.71 C ATOM 526 C PHE A 790 -15.489 13.516 9.033 1.00 17.37 C ATOM 527 O PHE A 790 -15.801 13.699 10.219 1.00 15.81 O ATOM 528 CB PHE A 790 -13.017 13.184 8.545 1.00 10.25 C ATOM 529 CG PHE A 790 -12.460 13.684 9.856 1.00 10.78 C ATOM 530 CD1 PHE A 790 -12.087 12.792 10.861 1.00 13.26 C ATOM 531 CD2 PHE A 790 -12.313 15.049 10.092 1.00 13.45 C ATOM 532 CE1 PHE A 790 -11.546 13.252 12.061 1.00 14.18 C ATOM 533 CE2 PHE A 790 -11.721 15.507 11.275 1.00 15.28 C ATOM 534 CZ PHE A 790 -11.361 14.608 12.258 1.00 13.04 C ATOM 535 H PHE A 790 -14.047 11.709 6.677 1.00 0.00 H ATOM 536 N LYS A 791 -16.156 14.075 8.007 1.00 16.10 N ATOM 537 CA LYS A 791 -17.256 15.038 8.192 1.00 16.64 C ATOM 538 C LYS A 791 -18.489 14.468 8.921 1.00 19.78 C ATOM 539 O LYS A 791 -19.235 15.245 9.520 1.00 20.79 O ATOM 540 CB LYS A 791 -17.663 15.666 6.844 1.00 21.81 C ATOM 541 CG LYS A 791 -18.220 14.664 5.817 1.00 47.07 C ATOM 542 CD LYS A 791 -18.868 15.332 4.613 1.00 60.48 C ATOM 543 CE LYS A 791 -19.424 14.289 3.682 1.00 78.75 C ATOM 544 NZ LYS A 791 -19.803 14.873 2.373 1.00 92.25 N ATOM 545 HZ1 LYS A 791 -20.528 15.605 2.518 1.00 0.00 H ATOM 546 HZ2 LYS A 791 -18.964 15.298 1.928 1.00 0.00 H ATOM 547 HZ3 LYS A 791 -20.182 14.125 1.758 1.00 0.00 H ATOM 548 H LYS A 791 -15.882 13.815 7.038 1.00 0.00 H ATOM 549 N ASN A 792 -18.714 13.136 8.855 1.00 14.98 N ATOM 550 CA ASN A 792 -19.830 12.451 9.522 1.00 15.98 C ATOM 551 C ASN A 792 -19.674 12.491 11.051 1.00 18.48 C ATOM 552 O ASN A 792 -20.662 12.402 11.782 1.00 18.21 O ATOM 553 CB ASN A 792 -19.932 11.001 9.043 1.00 19.35 C ATOM 554 CG ASN A 792 -20.242 10.839 7.558 1.00 49.72 C ATOM 555 OD1 ASN A 792 -20.824 11.721 6.902 1.00 47.30 O ATOM 556 ND2 ASN A 792 -19.886 9.684 6.997 1.00 41.36 N ATOM 557 HD22 ASN A 792 -19.400 8.959 7.563 1.00 0.00 H ATOM 558 HD21 ASN A 792 -20.094 9.507 5.993 1.00 0.00 H ATOM 559 H ASN A 792 -18.054 12.559 8.296 1.00 0.00 H ATOM 560 N LEU A 793 -18.429 12.678 11.532 1.00 13.05 N ATOM 561 CA LEU A 793 -18.168 12.760 12.961 1.00 11.77 C ATOM 562 C LEU A 793 -18.502 14.157 13.477 1.00 15.67 C ATOM 563 O LEU A 793 -18.199 15.147 12.792 1.00 15.36 O ATOM 564 CB LEU A 793 -16.707 12.412 13.289 1.00 9.79 C ATOM 565 CG LEU A 793 -16.142 11.141 12.631 1.00 11.73 C ATOM 566 CD1 LEU A 793 -14.728 10.898 13.068 1.00 11.19 C ATOM 567 CD2 LEU A 793 -17.017 9.881 12.908 1.00 10.59 C ATOM 568 H LEU A 793 -17.635 12.766 10.865 1.00 0.00 H ATOM 569 N PRO A 794 -19.108 14.258 14.686 1.00 12.63 N ATOM 570 CA PRO A 794 -19.458 15.589 15.215 1.00 13.02 C ATOM 571 C PRO A 794 -18.215 16.417 15.447 1.00 15.96 C ATOM 572 O PRO A 794 -17.147 15.853 15.686 1.00 14.80 O ATOM 573 CB PRO A 794 -20.155 15.310 16.546 1.00 14.92 C ATOM 574 CG PRO A 794 -20.092 13.887 16.780 1.00 18.81 C ATOM 575 CD PRO A 794 -19.510 13.170 15.605 1.00 14.39 C ATOM 576 N LEU A 795 -18.356 17.741 15.401 1.00 14.92 N ATOM 577 CA LEU A 795 -17.235 18.663 15.620 1.00 13.99 C ATOM 578 C LEU A 795 -16.373 18.333 16.868 1.00 17.93 C ATOM 579 O LEU A 795 -15.136 18.320 16.770 1.00 16.97 O ATOM 580 CB LEU A 795 -17.757 20.107 15.687 1.00 14.36 C ATOM 581 CG LEU A 795 -16.664 21.156 15.899 1.00 18.31 C ATOM 582 CD1 LEU A 795 -15.600 21.087 14.790 1.00 16.90 C ATOM 583 CD2 LEU A 795 -17.260 22.526 15.995 1.00 21.97 C ATOM 584 H LEU A 795 -19.297 18.137 15.202 1.00 0.00 H ATOM 585 N GLU A 796 -17.022 18.098 18.029 1.00 14.20 N ATOM 586 CA GLU A 796 -16.328 17.750 19.272 1.00 13.72 C ATOM 587 C GLU A 796 -15.422 16.538 19.065 1.00 14.32 C ATOM 588 O GLU A 796 -14.281 16.561 19.522 1.00 10.93 O ATOM 589 CB GLU A 796 -17.323 17.471 20.413 1.00 16.50 C ATOM 590 CG GLU A 796 -16.656 17.476 21.783 1.00 31.64 C ATOM 591 CD GLU A 796 -17.502 17.079 22.978 1.00 54.78 C ATOM 592 OE1 GLU A 796 -18.683 17.494 23.049 1.00 43.95 O ATOM 593 OE2 GLU A 796 -16.959 16.389 23.870 1.00 47.91 O ATOM 594 H GLU A 796 -18.060 18.167 18.041 1.00 0.00 H ATOM 595 N ASP A 797 -15.929 15.482 18.380 1.00 11.13 N ATOM 596 CA ASP A 797 -15.122 14.279 18.130 1.00 10.69 C ATOM 597 C ASP A 797 -13.973 14.556 17.169 1.00 13.04 C ATOM 598 O ASP A 797 -12.883 14.045 17.373 1.00 12.09 O ATOM 599 CB ASP A 797 -16.011 13.128 17.646 1.00 12.76 C ATOM 600 CG ASP A 797 -16.921 12.603 18.741 1.00 16.87 C ATOM 601 OD1 ASP A 797 -16.755 13.033 19.918 1.00 17.16 O ATOM 602 OD2 ASP A 797 -17.791 11.760 18.434 1.00 18.26 O ATOM 603 H ASP A 797 -16.906 15.525 18.026 1.00 0.00 H ATOM 604 N GLN A 798 -14.209 15.399 16.144 1.00 9.96 N ATOM 605 CA GLN A 798 -13.160 15.745 15.176 1.00 9.17 C ATOM 606 C GLN A 798 -12.016 16.430 15.910 1.00 11.14 C ATOM 607 O GLN A 798 -10.861 16.082 15.711 1.00 10.48 O ATOM 608 CB GLN A 798 -13.726 16.690 14.119 1.00 10.90 C ATOM 609 CG GLN A 798 -14.674 16.016 13.168 1.00 11.51 C ATOM 610 CD GLN A 798 -15.183 16.965 12.109 1.00 24.44 C ATOM 611 OE1 GLN A 798 -14.746 18.121 11.991 1.00 18.54 O ATOM 612 NE2 GLN A 798 -16.070 16.474 11.267 1.00 25.24 N ATOM 613 HE22 GLN A 798 -16.420 15.502 11.388 1.00 0.00 H ATOM 614 HE21 GLN A 798 -16.420 17.058 10.481 1.00 0.00 H ATOM 615 H GLN A 798 -15.156 15.814 16.036 1.00 0.00 H ATOM 616 N ILE A 799 -12.347 17.370 16.813 1.00 10.30 N ATOM 617 CA ILE A 799 -11.339 18.071 17.625 1.00 9.75 C ATOM 618 C ILE A 799 -10.585 17.096 18.512 1.00 9.29 C ATOM 619 O ILE A 799 -9.346 17.133 18.540 1.00 8.85 O ATOM 620 CB ILE A 799 -12.006 19.232 18.419 1.00 13.12 C ATOM 621 CG1 ILE A 799 -12.499 20.322 17.447 1.00 13.15 C ATOM 622 CG2 ILE A 799 -11.032 19.829 19.457 1.00 14.70 C ATOM 623 CD1 ILE A 799 -13.475 21.223 17.983 1.00 16.47 C ATOM 624 H ILE A 799 -13.351 17.610 16.942 1.00 0.00 H ATOM 625 N THR A 800 -11.308 16.187 19.199 1.00 7.26 N ATOM 626 CA THR A 800 -10.690 15.200 20.107 1.00 6.85 C ATOM 627 C THR A 800 -9.623 14.359 19.366 1.00 8.36 C ATOM 628 O THR A 800 -8.487 14.266 19.815 1.00 8.44 O ATOM 629 CB THR A 800 -11.784 14.333 20.751 1.00 12.73 C ATOM 630 OG1 THR A 800 -12.590 15.176 21.580 1.00 11.98 O ATOM 631 CG2 THR A 800 -11.218 13.229 21.600 1.00 10.56 C ATOM 632 HG1 THR A 800 -13.000 15.887 21.026 1.00 0.00 H ATOM 633 H THR A 800 -12.342 16.181 19.084 1.00 0.00 H ATOM 634 N LEU A 801 -10.010 13.765 18.223 1.00 7.13 N ATOM 635 CA LEU A 801 -9.130 12.955 17.388 1.00 6.88 C ATOM 636 C LEU A 801 -7.888 13.697 16.911 1.00 9.04 C ATOM 637 O LEU A 801 -6.800 13.189 17.090 1.00 8.80 O ATOM 638 CB LEU A 801 -9.888 12.362 16.237 1.00 6.47 C ATOM 639 CG LEU A 801 -10.975 11.363 16.700 1.00 7.99 C ATOM 640 CD1 LEU A 801 -11.958 11.086 15.589 1.00 8.58 C ATOM 641 CD2 LEU A 801 -10.366 10.042 17.186 1.00 8.35 C ATOM 642 H LEU A 801 -10.996 13.891 17.916 1.00 0.00 H ATOM 643 N ILE A 802 -8.056 14.913 16.418 1.00 7.22 N ATOM 644 CA ILE A 802 -6.945 15.775 15.979 1.00 6.85 C ATOM 645 C ILE A 802 -6.023 16.089 17.160 1.00 10.92 C ATOM 646 O ILE A 802 -4.807 15.948 17.039 1.00 10.20 O ATOM 647 CB ILE A 802 -7.429 17.034 15.242 1.00 8.77 C ATOM 648 CG1 ILE A 802 -8.054 16.683 13.866 1.00 7.92 C ATOM 649 CG2 ILE A 802 -6.261 18.071 15.069 1.00 9.42 C ATOM 650 CD1 ILE A 802 -8.644 17.872 13.130 1.00 11.32 C ATOM 651 H ILE A 802 -9.025 15.281 16.336 1.00 0.00 H ATOM 652 N GLN A 803 -6.598 16.482 18.312 1.00 8.08 N ATOM 653 CA GLN A 803 -5.747 16.766 19.478 1.00 7.91 C ATOM 654 C GLN A 803 -5.043 15.519 20.038 1.00 11.63 C ATOM 655 O GLN A 803 -3.866 15.586 20.381 1.00 10.11 O ATOM 656 CB GLN A 803 -6.566 17.433 20.577 1.00 8.24 C ATOM 657 CG GLN A 803 -7.001 18.848 20.260 1.00 12.27 C ATOM 658 CD GLN A 803 -7.915 19.331 21.352 1.00 30.22 C ATOM 659 OE1 GLN A 803 -8.597 18.541 22.012 1.00 21.91 O ATOM 660 NE2 GLN A 803 -7.936 20.623 21.586 1.00 28.16 N ATOM 661 HE22 GLN A 803 -7.351 21.265 21.014 1.00 0.00 H ATOM 662 HE21 GLN A 803 -8.538 21.005 22.344 1.00 0.00 H ATOM 663 H GLN A 803 -7.631 16.584 18.377 1.00 0.00 H ATOM 664 N TYR A 804 -5.724 14.366 20.105 1.00 9.35 N ATOM 665 CA TYR A 804 -5.077 13.186 20.662 1.00 8.70 C ATOM 666 C TYR A 804 -3.991 12.614 19.745 1.00 12.39 C ATOM 667 O TYR A 804 -3.006 12.065 20.245 1.00 12.75 O ATOM 668 CB TYR A 804 -6.096 12.077 20.980 1.00 12.74 C ATOM 669 CG TYR A 804 -6.754 12.167 22.344 1.00 19.00 C ATOM 670 CD1 TYR A 804 -6.005 12.426 23.491 1.00 22.75 C ATOM 671 CD2 TYR A 804 -8.098 11.855 22.509 1.00 20.54 C ATOM 672 CE1 TYR A 804 -6.602 12.473 24.753 1.00 25.78 C ATOM 673 CE2 TYR A 804 -8.709 11.921 23.760 1.00 22.46 C ATOM 674 CZ TYR A 804 -7.958 12.225 24.879 1.00 31.91 C ATOM 675 OH TYR A 804 -8.563 12.272 26.111 1.00 39.00 O ATOM 676 HH TYR A 804 -9.275 12.960 26.102 1.00 0.00 H ATOM 677 H TYR A 804 -6.705 14.315 19.763 1.00 0.00 H ATOM 678 N SER A 805 -4.157 12.756 18.426 1.00 7.89 N ATOM 679 CA SER A 805 -3.266 12.129 17.453 1.00 7.89 C ATOM 680 C SER A 805 -2.191 12.997 16.834 1.00 8.43 C ATOM 681 O SER A 805 -1.410 12.484 16.035 1.00 7.37 O ATOM 682 CB SER A 805 -4.091 11.523 16.318 1.00 9.33 C ATOM 683 OG SER A 805 -4.650 12.570 15.533 1.00 11.49 O ATOM 684 HG SER A 805 -5.232 13.133 16.102 1.00 0.00 H ATOM 685 H SER A 805 -4.949 13.334 18.080 1.00 0.00 H ATOM 686 N TRP A 806 -2.130 14.287 17.169 1.00 8.53 N ATOM 687 CA TRP A 806 -1.205 15.207 16.499 1.00 8.20 C ATOM 688 C TRP A 806 0.243 14.740 16.489 1.00 9.08 C ATOM 689 O TRP A 806 0.885 14.879 15.431 1.00 7.93 O ATOM 690 CB TRP A 806 -1.348 16.641 17.048 1.00 8.13 C ATOM 691 CG TRP A 806 -0.613 16.932 18.321 1.00 9.83 C ATOM 692 CD1 TRP A 806 -1.053 16.723 19.592 1.00 12.92 C ATOM 693 CD2 TRP A 806 0.700 17.512 18.435 1.00 9.60 C ATOM 694 NE1 TRP A 806 -0.093 17.131 20.496 1.00 13.91 N ATOM 695 CE2 TRP A 806 1.005 17.594 19.809 1.00 13.84 C ATOM 696 CE3 TRP A 806 1.676 17.910 17.495 1.00 10.67 C ATOM 697 CZ2 TRP A 806 2.200 18.157 20.275 1.00 13.09 C ATOM 698 CZ3 TRP A 806 2.858 18.457 17.953 1.00 11.05 C ATOM 699 CH2 TRP A 806 3.129 18.546 19.328 1.00 12.60 C ATOM 700 HE1 TRP A 806 -0.185 17.094 21.531 1.00 0.00 H ATOM 701 H TRP A 806 -2.751 14.648 17.921 1.00 0.00 H ATOM 702 N MET A 807 0.750 14.165 17.615 1.00 6.17 N ATOM 703 CA MET A 807 2.159 13.725 17.694 1.00 5.94 C ATOM 704 C MET A 807 2.368 12.459 16.870 1.00 9.29 C ATOM 705 O MET A 807 3.433 12.296 16.243 1.00 11.07 O ATOM 706 CB MET A 807 2.596 13.541 19.169 1.00 6.50 C ATOM 707 CG MET A 807 4.063 13.249 19.355 1.00 8.40 C ATOM 708 SD MET A 807 5.072 14.678 18.961 1.00 10.80 S ATOM 709 CE MET A 807 4.917 15.616 20.514 1.00 9.87 C ATOM 710 H MET A 807 0.130 14.032 18.440 1.00 0.00 H ATOM 711 N SER A 808 1.356 11.592 16.819 1.00 7.65 N ATOM 712 CA SER A 808 1.377 10.345 16.036 1.00 7.90 C ATOM 713 C SER A 808 1.480 10.645 14.551 1.00 13.12 C ATOM 714 O SER A 808 2.322 10.039 13.871 1.00 12.24 O ATOM 715 CB SER A 808 0.095 9.542 16.262 1.00 13.90 C ATOM 716 OG SER A 808 0.102 8.848 17.489 1.00 30.67 O ATOM 717 HG SER A 808 -0.746 8.346 17.588 1.00 0.00 H ATOM 718 H SER A 808 0.499 11.810 17.366 1.00 0.00 H ATOM 719 N LEU A 809 0.544 11.461 14.030 1.00 10.72 N ATOM 720 CA LEU A 809 0.482 11.832 12.611 1.00 11.14 C ATOM 721 C LEU A 809 1.766 12.515 12.214 1.00 12.54 C ATOM 722 O LEU A 809 2.327 12.193 11.173 1.00 12.59 O ATOM 723 CB LEU A 809 -0.729 12.765 12.299 1.00 11.80 C ATOM 724 CG LEU A 809 -2.136 12.217 12.452 1.00 16.34 C ATOM 725 CD1 LEU A 809 -3.176 13.259 12.003 1.00 15.84 C ATOM 726 CD2 LEU A 809 -2.347 11.016 11.583 1.00 20.02 C ATOM 727 H LEU A 809 -0.177 11.851 14.670 1.00 0.00 H ATOM 728 N SER A 810 2.218 13.484 13.021 1.00 9.99 N ATOM 729 CA SER A 810 3.438 14.271 12.791 1.00 9.87 C ATOM 730 C SER A 810 4.687 13.392 12.742 1.00 11.99 C ATOM 731 O SER A 810 5.556 13.597 11.879 1.00 9.79 O ATOM 732 CB SER A 810 3.623 15.292 13.908 1.00 14.25 C ATOM 733 OG SER A 810 2.593 16.260 13.877 1.00 24.30 O ATOM 734 HG SER A 810 1.718 15.813 13.994 1.00 0.00 H ATOM 735 H SER A 810 1.664 13.696 13.875 1.00 0.00 H ATOM 736 N SER A 811 4.812 12.442 13.679 1.00 8.93 N ATOM 737 CA SER A 811 5.997 11.587 13.700 1.00 8.09 C ATOM 738 C SER A 811 5.982 10.582 12.535 1.00 10.15 C ATOM 739 O SER A 811 7.044 10.267 11.997 1.00 10.79 O ATOM 740 CB SER A 811 6.120 10.880 15.043 1.00 10.03 C ATOM 741 OG SER A 811 5.032 10.014 15.295 1.00 7.77 O ATOM 742 HG SER A 811 4.191 10.536 15.298 1.00 0.00 H ATOM 743 H SER A 811 4.065 12.313 14.391 1.00 0.00 H ATOM 744 N PHE A 812 4.785 10.090 12.147 1.00 7.18 N ATOM 745 CA PHE A 812 4.630 9.143 11.039 1.00 7.00 C ATOM 746 C PHE A 812 4.978 9.821 9.714 1.00 7.74 C ATOM 747 O PHE A 812 5.742 9.273 8.917 1.00 7.82 O ATOM 748 CB PHE A 812 3.225 8.557 11.048 1.00 8.54 C ATOM 749 CG PHE A 812 3.089 7.290 10.242 1.00 8.73 C ATOM 750 CD1 PHE A 812 3.723 6.120 10.645 1.00 11.89 C ATOM 751 CD2 PHE A 812 2.286 7.253 9.106 1.00 9.66 C ATOM 752 CE1 PHE A 812 3.560 4.935 9.920 1.00 12.77 C ATOM 753 CE2 PHE A 812 2.110 6.063 8.396 1.00 11.17 C ATOM 754 CZ PHE A 812 2.780 4.929 8.782 1.00 10.93 C ATOM 755 H PHE A 812 3.933 10.398 12.659 1.00 0.00 H ATOM 756 N ALA A 813 4.533 11.072 9.537 1.00 6.11 N ATOM 757 CA ALA A 813 4.854 11.823 8.319 1.00 6.10 C ATOM 758 C ALA A 813 6.339 12.132 8.263 1.00 7.20 C ATOM 759 O ALA A 813 6.938 12.077 7.194 1.00 6.24 O ATOM 760 CB ALA A 813 4.039 13.111 8.274 1.00 6.76 C ATOM 761 H ALA A 813 3.951 11.518 10.275 1.00 0.00 H ATOM 762 N LEU A 814 6.945 12.418 9.417 1.00 6.70 N ATOM 763 CA LEU A 814 8.408 12.656 9.481 1.00 6.23 C ATOM 764 C LEU A 814 9.138 11.389 9.035 1.00 9.36 C ATOM 765 O LEU A 814 10.087 11.461 8.227 1.00 9.41 O ATOM 766 CB LEU A 814 8.827 13.023 10.923 1.00 6.44 C ATOM 767 CG LEU A 814 10.320 13.133 11.215 1.00 9.07 C ATOM 768 CD1 LEU A 814 11.012 14.143 10.313 1.00 9.27 C ATOM 769 CD2 LEU A 814 10.558 13.393 12.692 1.00 13.94 C ATOM 770 H LEU A 814 6.381 12.475 10.289 1.00 0.00 H ATOM 771 N SER A 815 8.697 10.226 9.540 1.00 7.35 N ATOM 772 CA SER A 815 9.323 8.979 9.115 1.00 8.45 C ATOM 773 C SER A 815 9.155 8.778 7.604 1.00 10.68 C ATOM 774 O SER A 815 10.102 8.359 6.943 1.00 10.19 O ATOM 775 CB SER A 815 8.763 7.803 9.897 1.00 11.72 C ATOM 776 OG SER A 815 9.145 7.948 11.255 1.00 22.33 O ATOM 777 HG SER A 815 8.780 8.797 11.610 1.00 0.00 H ATOM 778 H SER A 815 7.917 10.214 10.227 1.00 0.00 H ATOM 779 N TRP A 816 7.996 9.152 7.045 1.00 7.87 N ATOM 780 CA TRP A 816 7.761 9.014 5.608 1.00 7.42 C ATOM 781 C TRP A 816 8.708 9.909 4.821 1.00 7.69 C ATOM 782 O TRP A 816 9.361 9.435 3.872 1.00 6.28 O ATOM 783 CB TRP A 816 6.297 9.335 5.245 1.00 7.44 C ATOM 784 CG TRP A 816 6.028 9.254 3.765 1.00 8.77 C ATOM 785 CD1 TRP A 816 5.971 10.297 2.882 1.00 11.46 C ATOM 786 CD2 TRP A 816 6.049 8.059 2.973 1.00 8.69 C ATOM 787 NE1 TRP A 816 5.899 9.818 1.593 1.00 11.41 N ATOM 788 CE2 TRP A 816 5.911 8.446 1.625 1.00 12.39 C ATOM 789 CE3 TRP A 816 6.182 6.694 3.277 1.00 9.15 C ATOM 790 CZ2 TRP A 816 5.880 7.510 0.579 1.00 12.41 C ATOM 791 CZ3 TRP A 816 6.110 5.768 2.249 1.00 11.09 C ATOM 792 CH2 TRP A 816 5.954 6.175 0.917 1.00 12.02 C ATOM 793 HE1 TRP A 816 5.844 10.402 0.734 1.00 0.00 H ATOM 794 H TRP A 816 7.247 9.549 7.647 1.00 0.00 H ATOM 795 N ARG A 817 8.795 11.200 5.214 1.00 5.73 N ATOM 796 CA ARG A 817 9.669 12.137 4.505 1.00 6.29 C ATOM 797 C ARG A 817 11.120 11.651 4.570 1.00 9.05 C ATOM 798 O ARG A 817 11.848 11.792 3.597 1.00 9.78 O ATOM 799 CB ARG A 817 9.601 13.526 5.148 1.00 5.92 C ATOM 800 CG ARG A 817 8.291 14.218 4.854 1.00 5.90 C ATOM 801 CD ARG A 817 8.319 15.698 5.196 1.00 5.57 C ATOM 802 NE ARG A 817 8.614 15.994 6.602 1.00 5.62 N ATOM 803 CZ ARG A 817 7.745 15.946 7.611 1.00 7.80 C ATOM 804 NH1 ARG A 817 6.481 15.570 7.397 1.00 5.96 N ATOM 805 NH2 ARG A 817 8.132 16.259 8.840 1.00 7.78 N ATOM 806 HE ARG A 817 9.591 16.266 6.832 1.00 0.00 H ATOM 807 HH12 ARG A 817 5.808 15.535 8.189 1.00 0.00 H ATOM 808 HH11 ARG A 817 6.170 15.313 6.438 1.00 0.00 H ATOM 809 HH22 ARG A 817 7.451 16.220 9.625 1.00 0.00 H ATOM 810 HH21 ARG A 817 9.116 16.543 9.019 1.00 0.00 H ATOM 811 H ARG A 817 8.236 11.530 6.027 1.00 0.00 H ATOM 812 N SER A 818 11.543 11.152 5.734 1.00 7.04 N ATOM 813 CA SER A 818 12.905 10.667 5.933 1.00 7.11 C ATOM 814 C SER A 818 13.219 9.503 4.991 1.00 10.40 C ATOM 815 O SER A 818 14.307 9.417 4.427 1.00 11.19 O ATOM 816 CB SER A 818 13.114 10.255 7.387 1.00 9.07 C ATOM 817 OG SER A 818 12.905 11.367 8.248 1.00 9.00 O ATOM 818 HG SER A 818 11.980 11.701 8.135 1.00 0.00 H ATOM 819 H SER A 818 10.876 11.107 6.530 1.00 0.00 H ATOM 820 N TYR A 819 12.242 8.619 4.827 1.00 7.40 N ATOM 821 CA TYR A 819 12.346 7.445 3.990 1.00 8.11 C ATOM 822 C TYR A 819 12.365 7.847 2.530 1.00 11.65 C ATOM 823 O TYR A 819 13.257 7.433 1.812 1.00 13.83 O ATOM 824 CB TYR A 819 11.157 6.512 4.305 1.00 8.57 C ATOM 825 CG TYR A 819 10.918 5.399 3.302 1.00 10.47 C ATOM 826 CD1 TYR A 819 11.898 4.451 3.034 1.00 13.56 C ATOM 827 CD2 TYR A 819 9.684 5.255 2.678 1.00 11.72 C ATOM 828 CE1 TYR A 819 11.668 3.402 2.144 1.00 16.36 C ATOM 829 CE2 TYR A 819 9.442 4.211 1.788 1.00 14.73 C ATOM 830 CZ TYR A 819 10.431 3.281 1.532 1.00 23.10 C ATOM 831 OH TYR A 819 10.184 2.254 0.650 1.00 30.30 O ATOM 832 HH TYR A 819 9.421 1.715 0.978 1.00 0.00 H ATOM 833 H TYR A 819 11.347 8.781 5.332 1.00 0.00 H ATOM 834 N LYS A 820 11.420 8.687 2.095 1.00 7.84 N ATOM 835 CA LYS A 820 11.322 9.035 0.686 1.00 8.95 C ATOM 836 C LYS A 820 12.486 9.896 0.186 1.00 13.51 C ATOM 837 O LYS A 820 12.962 9.707 -0.945 1.00 14.18 O ATOM 838 CB LYS A 820 9.967 9.730 0.425 1.00 11.21 C ATOM 839 CG LYS A 820 9.647 9.977 -1.051 1.00 27.41 C ATOM 840 CD LYS A 820 8.445 10.903 -1.188 1.00 38.56 C ATOM 841 CE LYS A 820 8.398 11.620 -2.517 1.00 54.75 C ATOM 842 NZ LYS A 820 7.363 12.693 -2.540 1.00 64.33 N ATOM 843 HZ1 LYS A 820 6.427 12.274 -2.364 1.00 0.00 H ATOM 844 HZ2 LYS A 820 7.575 13.393 -1.801 1.00 0.00 H ATOM 845 HZ3 LYS A 820 7.367 13.157 -3.471 1.00 0.00 H ATOM 846 H LYS A 820 10.746 9.097 2.773 1.00 0.00 H ATOM 847 N HIS A 821 12.912 10.857 1.009 1.00 11.60 N ATOM 848 CA HIS A 821 13.919 11.840 0.594 1.00 13.37 C ATOM 849 C HIS A 821 15.341 11.498 0.992 1.00 16.03 C ATOM 850 O HIS A 821 16.268 12.041 0.381 1.00 17.31 O ATOM 851 CB HIS A 821 13.524 13.232 1.092 1.00 14.18 C ATOM 852 CG HIS A 821 12.180 13.680 0.619 1.00 18.07 C ATOM 853 ND1 HIS A 821 11.957 14.022 -0.707 1.00 21.31 N ATOM 854 CD2 HIS A 821 11.025 13.823 1.308 1.00 20.14 C ATOM 855 CE1 HIS A 821 10.674 14.347 -0.784 1.00 20.98 C ATOM 856 NE2 HIS A 821 10.069 14.233 0.401 1.00 20.42 N ATOM 857 H HIS A 821 12.519 10.910 1.971 1.00 0.00 H ATOM 858 N THR A 822 15.560 10.594 1.983 1.00 9.38 N ATOM 859 CA THR A 822 16.951 10.273 2.367 1.00 10.57 C ATOM 860 C THR A 822 17.233 8.766 2.483 1.00 13.16 C ATOM 861 O THR A 822 18.303 8.388 2.951 1.00 13.97 O ATOM 862 CB THR A 822 17.349 11.017 3.691 1.00 16.81 C ATOM 863 OG1 THR A 822 16.824 10.305 4.800 1.00 10.79 O ATOM 864 CG2 THR A 822 16.855 12.488 3.771 1.00 11.36 C ATOM 865 HG1 THR A 822 15.838 10.261 4.726 1.00 0.00 H ATOM 866 H THR A 822 14.761 10.135 2.464 1.00 0.00 H ATOM 867 N ASN A 823 16.252 7.906 2.131 1.00 10.88 N ATOM 868 CA ASN A 823 16.311 6.453 2.329 1.00 11.51 C ATOM 869 C ASN A 823 16.559 6.146 3.812 1.00 14.94 C ATOM 870 O ASN A 823 17.255 5.200 4.166 1.00 16.54 O ATOM 871 CB ASN A 823 17.281 5.724 1.385 1.00 14.08 C ATOM 872 CG ASN A 823 16.989 4.253 1.308 1.00 27.84 C ATOM 873 OD1 ASN A 823 17.879 3.406 1.427 1.00 29.59 O ATOM 874 ND2 ASN A 823 15.727 3.917 1.151 1.00 16.78 N ATOM 875 HD22 ASN A 823 15.001 4.655 1.054 1.00 0.00 H ATOM 876 HD21 ASN A 823 15.456 2.913 1.124 1.00 0.00 H ATOM 877 H ASN A 823 15.397 8.301 1.690 1.00 0.00 H ATOM 878 N SER A 824 15.972 6.999 4.682 1.00 11.41 N ATOM 879 CA SER A 824 16.002 6.919 6.140 1.00 11.59 C ATOM 880 C SER A 824 17.412 7.039 6.720 1.00 18.12 C ATOM 881 O SER A 824 17.724 6.375 7.708 1.00 22.11 O ATOM 882 CB SER A 824 15.286 5.663 6.624 1.00 13.31 C ATOM 883 OG SER A 824 13.921 5.707 6.221 1.00 15.42 O ATOM 884 HG SER A 824 13.459 4.890 6.536 1.00 0.00 H ATOM 885 H SER A 824 15.444 7.795 4.270 1.00 0.00 H ATOM 886 N GLN A 825 18.271 7.846 6.075 1.00 14.22 N ATOM 887 CA GLN A 825 19.637 8.089 6.539 1.00 15.37 C ATOM 888 C GLN A 825 19.593 9.274 7.528 1.00 17.70 C ATOM 889 O GLN A 825 20.392 9.324 8.467 1.00 18.43 O ATOM 890 CB GLN A 825 20.568 8.401 5.355 1.00 18.57 C ATOM 891 CG GLN A 825 22.047 8.423 5.725 1.00 43.23 C ATOM 892 CD GLN A 825 22.973 8.561 4.540 1.00 65.24 C ATOM 893 OE1 GLN A 825 23.945 9.325 4.579 1.00 60.62 O ATOM 894 NE2 GLN A 825 22.738 7.781 3.487 1.00 58.75 N ATOM 895 HE22 GLN A 825 21.913 7.148 3.482 1.00 0.00 H ATOM 896 HE21 GLN A 825 23.380 7.804 2.669 1.00 0.00 H ATOM 897 H GLN A 825 17.950 8.319 5.206 1.00 0.00 H ATOM 898 N PHE A 826 18.662 10.222 7.310 1.00 11.11 N ATOM 899 CA PHE A 826 18.511 11.419 8.141 1.00 10.62 C ATOM 900 C PHE A 826 17.076 11.665 8.555 1.00 12.41 C ATOM 901 O PHE A 826 16.183 11.018 8.025 1.00 13.19 O ATOM 902 CB PHE A 826 18.995 12.663 7.375 1.00 12.01 C ATOM 903 CG PHE A 826 20.420 12.528 6.903 1.00 15.24 C ATOM 904 CD1 PHE A 826 21.470 12.487 7.813 1.00 18.87 C ATOM 905 CD2 PHE A 826 20.712 12.449 5.548 1.00 19.09 C ATOM 906 CE1 PHE A 826 22.790 12.351 7.375 1.00 20.50 C ATOM 907 CE2 PHE A 826 22.031 12.333 5.111 1.00 21.95 C ATOM 908 CZ PHE A 826 23.057 12.263 6.028 1.00 20.71 C ATOM 909 H PHE A 826 18.014 10.097 6.506 1.00 0.00 H ATOM 910 N LEU A 827 16.854 12.617 9.480 1.00 10.02 N ATOM 911 CA LEU A 827 15.493 13.021 9.861 1.00 9.28 C ATOM 912 C LEU A 827 15.100 14.243 9.027 1.00 8.71 C ATOM 913 O LEU A 827 15.566 15.377 9.283 1.00 7.97 O ATOM 914 CB LEU A 827 15.331 13.246 11.389 1.00 9.65 C ATOM 915 CG LEU A 827 15.341 11.979 12.263 1.00 14.00 C ATOM 916 CD1 LEU A 827 15.266 12.342 13.727 1.00 14.97 C ATOM 917 CD2 LEU A 827 14.179 11.045 11.920 1.00 17.26 C ATOM 918 H LEU A 827 17.666 13.079 9.937 1.00 0.00 H ATOM 919 N TYR A 828 14.262 14.005 7.989 1.00 7.06 N ATOM 920 CA TYR A 828 13.877 15.057 7.036 1.00 6.71 C ATOM 921 C TYR A 828 12.677 15.818 7.591 1.00 8.17 C ATOM 922 O TYR A 828 11.526 15.538 7.219 1.00 7.01 O ATOM 923 CB TYR A 828 13.611 14.438 5.638 1.00 6.77 C ATOM 924 CG TYR A 828 13.538 15.403 4.461 1.00 7.01 C ATOM 925 CD1 TYR A 828 12.363 16.079 4.159 1.00 8.49 C ATOM 926 CD2 TYR A 828 14.615 15.553 3.588 1.00 7.40 C ATOM 927 CE1 TYR A 828 12.299 16.982 3.092 1.00 9.28 C ATOM 928 CE2 TYR A 828 14.561 16.436 2.513 1.00 7.99 C ATOM 929 CZ TYR A 828 13.385 17.124 2.248 1.00 11.42 C ATOM 930 OH TYR A 828 13.304 17.952 1.151 1.00 12.93 O ATOM 931 HH TYR A 828 12.403 18.360 1.113 1.00 0.00 H ATOM 932 H TYR A 828 13.878 13.047 7.862 1.00 0.00 H ATOM 933 N PHE A 829 12.930 16.723 8.546 1.00 7.04 N ATOM 934 CA PHE A 829 11.829 17.528 9.113 1.00 6.75 C ATOM 935 C PHE A 829 11.181 18.401 8.034 1.00 8.45 C ATOM 936 O PHE A 829 9.958 18.528 7.961 1.00 5.95 O ATOM 937 CB PHE A 829 12.356 18.406 10.258 1.00 7.80 C ATOM 938 CG PHE A 829 12.596 17.621 11.518 1.00 8.05 C ATOM 939 CD1 PHE A 829 11.557 17.357 12.404 1.00 8.32 C ATOM 940 CD2 PHE A 829 13.859 17.151 11.829 1.00 10.08 C ATOM 941 CE1 PHE A 829 11.785 16.626 13.569 1.00 8.18 C ATOM 942 CE2 PHE A 829 14.077 16.379 12.980 1.00 12.91 C ATOM 943 CZ PHE A 829 13.046 16.138 13.846 1.00 10.16 C ATOM 944 H PHE A 829 13.903 16.859 8.888 1.00 0.00 H ATOM 945 N ALA A 830 12.018 19.010 7.192 1.00 7.12 N ATOM 946 CA ALA A 830 11.555 19.896 6.132 1.00 7.05 C ATOM 947 C ALA A 830 12.725 20.047 5.153 1.00 8.89 C ATOM 948 O ALA A 830 13.860 19.696 5.507 1.00 7.51 O ATOM 949 CB ALA A 830 11.184 21.263 6.727 1.00 7.60 C ATOM 950 H ALA A 830 13.040 18.846 7.296 1.00 0.00 H ATOM 951 N PRO A 831 12.518 20.537 3.912 1.00 8.69 N ATOM 952 CA PRO A 831 13.669 20.670 2.989 1.00 8.81 C ATOM 953 C PRO A 831 14.820 21.516 3.545 1.00 12.38 C ATOM 954 O PRO A 831 16.002 21.249 3.268 1.00 13.94 O ATOM 955 CB PRO A 831 13.052 21.375 1.785 1.00 10.70 C ATOM 956 CG PRO A 831 11.635 21.000 1.817 1.00 14.88 C ATOM 957 CD PRO A 831 11.252 20.971 3.267 1.00 10.05 C ATOM 958 N ASP A 832 14.466 22.530 4.369 1.00 9.47 N ATOM 959 CA ASP A 832 15.384 23.460 5.030 1.00 9.26 C ATOM 960 C ASP A 832 15.828 23.005 6.436 1.00 13.57 C ATOM 961 O ASP A 832 16.578 23.731 7.093 1.00 15.43 O ATOM 962 CB ASP A 832 14.804 24.894 5.072 1.00 9.87 C ATOM 963 CG ASP A 832 13.498 25.055 5.827 1.00 12.87 C ATOM 964 OD1 ASP A 832 12.718 24.091 5.867 1.00 10.07 O ATOM 965 OD2 ASP A 832 13.245 26.161 6.347 1.00 14.91 O ATOM 966 H ASP A 832 13.450 22.660 4.549 1.00 0.00 H ATOM 967 N LEU A 833 15.377 21.826 6.895 1.00 10.24 N ATOM 968 CA LEU A 833 15.768 21.307 8.211 1.00 10.47 C ATOM 969 C LEU A 833 15.907 19.782 8.181 1.00 12.64 C ATOM 970 O LEU A 833 14.935 19.037 8.369 1.00 11.74 O ATOM 971 CB LEU A 833 14.830 21.822 9.320 1.00 11.13 C ATOM 972 CG LEU A 833 15.211 21.485 10.776 1.00 16.64 C ATOM 973 CD1 LEU A 833 16.625 21.861 11.089 1.00 17.63 C ATOM 974 CD2 LEU A 833 14.262 22.133 11.747 1.00 19.69 C ATOM 975 H LEU A 833 14.733 21.265 6.301 1.00 0.00 H ATOM 976 N VAL A 834 17.129 19.319 7.880 1.00 9.10 N ATOM 977 CA VAL A 834 17.396 17.865 7.806 1.00 9.20 C ATOM 978 C VAL A 834 18.376 17.546 8.935 1.00 13.89 C ATOM 979 O VAL A 834 19.440 18.175 9.017 1.00 15.74 O ATOM 980 CB VAL A 834 17.876 17.478 6.380 1.00 10.83 C ATOM 981 CG1 VAL A 834 18.214 16.000 6.269 1.00 10.70 C ATOM 982 CG2 VAL A 834 16.824 17.881 5.339 1.00 9.25 C ATOM 983 H VAL A 834 17.901 19.992 7.696 1.00 0.00 H ATOM 984 N PHE A 835 17.974 16.672 9.874 1.00 10.39 N ATOM 985 CA PHE A 835 18.829 16.387 11.031 1.00 10.57 C ATOM 986 C PHE A 835 19.866 15.314 10.760 1.00 14.07 C ATOM 987 O PHE A 835 19.552 14.222 10.259 1.00 15.05 O ATOM 988 CB PHE A 835 17.989 15.966 12.252 1.00 11.25 C ATOM 989 CG PHE A 835 17.505 17.027 13.211 1.00 11.33 C ATOM 990 CD1 PHE A 835 17.121 18.283 12.755 1.00 12.20 C ATOM 991 CD2 PHE A 835 17.342 16.741 14.561 1.00 13.12 C ATOM 992 CE1 PHE A 835 16.647 19.250 13.645 1.00 13.24 C ATOM 993 CE2 PHE A 835 16.834 17.701 15.441 1.00 14.25 C ATOM 994 CZ PHE A 835 16.506 18.957 14.979 1.00 11.06 C ATOM 995 H PHE A 835 17.054 16.197 9.780 1.00 0.00 H ATOM 996 N ASN A 836 21.089 15.634 11.111 1.00 13.00 N ATOM 997 CA ASN A 836 22.232 14.722 11.103 1.00 13.53 C ATOM 998 C ASN A 836 22.524 14.451 12.591 1.00 16.03 C ATOM 999 O ASN A 836 21.812 14.998 13.438 1.00 14.27 O ATOM 1000 CB ASN A 836 23.413 15.363 10.390 1.00 15.09 C ATOM 1001 CG ASN A 836 23.866 16.692 10.951 1.00 29.97 C ATOM 1002 OD1 ASN A 836 23.260 17.255 11.865 1.00 19.22 O ATOM 1003 ND2 ASN A 836 24.960 17.217 10.423 1.00 26.44 N ATOM 1004 HD22 ASN A 836 25.454 16.723 9.653 1.00 0.00 H ATOM 1005 HD21 ASN A 836 25.326 18.123 10.779 1.00 0.00 H ATOM 1006 H ASN A 836 21.259 16.613 11.419 1.00 0.00 H ATOM 1007 N GLU A 837 23.537 13.620 12.920 1.00 14.37 N ATOM 1008 CA GLU A 837 23.954 13.347 14.301 1.00 15.12 C ATOM 1009 C GLU A 837 24.145 14.645 15.100 1.00 17.72 C ATOM 1010 O GLU A 837 23.711 14.705 16.243 1.00 16.38 O ATOM 1011 CB GLU A 837 25.294 12.574 14.327 1.00 17.29 C ATOM 1012 CG GLU A 837 25.259 11.167 13.757 1.00 26.87 C ATOM 1013 CD GLU A 837 24.479 10.138 14.554 1.00 45.05 C ATOM 1014 OE1 GLU A 837 24.654 10.080 15.791 1.00 30.12 O ATOM 1015 OE2 GLU A 837 23.735 9.347 13.931 1.00 49.66 O ATOM 1016 H GLU A 837 24.051 13.146 12.150 1.00 0.00 H ATOM 1017 N GLU A 838 24.808 15.669 14.503 1.00 15.59 N ATOM 1018 CA GLU A 838 25.072 16.944 15.173 1.00 15.20 C ATOM 1019 C GLU A 838 23.762 17.601 15.670 1.00 15.61 C ATOM 1020 O GLU A 838 23.624 17.883 16.860 1.00 14.32 O ATOM 1021 CB GLU A 838 25.889 17.867 14.250 1.00 16.41 C ATOM 1022 CG GLU A 838 26.005 19.314 14.707 1.00 22.44 C ATOM 1023 CD GLU A 838 26.971 19.632 15.830 1.00 43.37 C ATOM 1024 OE1 GLU A 838 27.170 20.837 16.103 1.00 48.29 O ATOM 1025 OE2 GLU A 838 27.536 18.693 16.433 1.00 41.67 O ATOM 1026 H GLU A 838 25.143 15.542 13.527 1.00 0.00 H ATOM 1027 N LYS A 839 22.793 17.766 14.779 1.00 13.19 N ATOM 1028 CA LYS A 839 21.497 18.351 15.124 1.00 12.37 C ATOM 1029 C LYS A 839 20.719 17.493 16.144 1.00 14.71 C ATOM 1030 O LYS A 839 20.126 18.044 17.065 1.00 13.75 O ATOM 1031 CB LYS A 839 20.679 18.666 13.867 1.00 13.28 C ATOM 1032 CG LYS A 839 21.291 19.773 13.045 1.00 14.38 C ATOM 1033 CD LYS A 839 20.298 20.521 12.216 1.00 16.86 C ATOM 1034 CE LYS A 839 20.904 21.855 11.809 1.00 24.11 C ATOM 1035 NZ LYS A 839 22.133 21.713 10.987 1.00 24.60 N ATOM 1036 HZ1 LYS A 839 22.852 21.193 11.528 1.00 0.00 H ATOM 1037 HZ2 LYS A 839 21.908 21.191 10.116 1.00 0.00 H ATOM 1038 HZ3 LYS A 839 22.496 22.656 10.743 1.00 0.00 H ATOM 1039 H LYS A 839 22.961 17.468 13.797 1.00 0.00 H ATOM 1040 N MET A 840 20.808 16.160 16.043 1.00 13.05 N ATOM 1041 CA MET A 840 20.160 15.257 17.009 1.00 12.35 C ATOM 1042 C MET A 840 20.687 15.553 18.417 1.00 15.54 C ATOM 1043 O MET A 840 19.900 15.643 19.357 1.00 15.62 O ATOM 1044 CB MET A 840 20.424 13.799 16.635 1.00 14.02 C ATOM 1045 CG MET A 840 19.530 13.345 15.506 1.00 17.57 C ATOM 1046 SD MET A 840 19.982 11.731 14.849 1.00 22.37 S ATOM 1047 CE MET A 840 19.671 10.737 16.156 1.00 20.51 C ATOM 1048 H MET A 840 21.352 15.750 15.257 1.00 0.00 H ATOM 1049 N HIS A 841 22.013 15.743 18.554 1.00 13.10 N ATOM 1050 CA HIS A 841 22.596 16.061 19.851 1.00 13.40 C ATOM 1051 C HIS A 841 22.233 17.457 20.307 1.00 17.37 C ATOM 1052 O HIS A 841 21.842 17.608 21.459 1.00 17.12 O ATOM 1053 CB HIS A 841 24.121 15.927 19.821 1.00 14.76 C ATOM 1054 CG HIS A 841 24.589 14.515 19.865 1.00 17.32 C ATOM 1055 ND1 HIS A 841 24.379 13.722 20.980 1.00 19.50 N ATOM 1056 CD2 HIS A 841 25.225 13.785 18.922 1.00 18.55 C ATOM 1057 CE1 HIS A 841 24.913 12.547 20.685 1.00 18.21 C ATOM 1058 NE2 HIS A 841 25.419 12.537 19.455 1.00 18.47 N ATOM 1059 H HIS A 841 22.631 15.662 17.721 1.00 0.00 H ATOM 1060 N GLN A 842 22.367 18.476 19.414 1.00 16.02 N ATOM 1061 CA GLN A 842 22.096 19.895 19.730 1.00 16.23 C ATOM 1062 C GLN A 842 20.676 20.136 20.193 1.00 19.22 C ATOM 1063 O GLN A 842 20.439 21.029 21.004 1.00 19.82 O ATOM 1064 CB GLN A 842 22.375 20.799 18.523 1.00 17.41 C ATOM 1065 CG GLN A 842 23.868 20.917 18.148 1.00 27.94 C ATOM 1066 CD GLN A 842 24.095 21.688 16.862 1.00 48.42 C ATOM 1067 OE1 GLN A 842 23.379 21.526 15.858 1.00 43.85 O ATOM 1068 NE2 GLN A 842 25.103 22.557 16.864 1.00 44.66 N ATOM 1069 HE22 GLN A 842 25.687 22.674 17.717 1.00 0.00 H ATOM 1070 HE21 GLN A 842 25.307 23.119 16.013 1.00 0.00 H ATOM 1071 H GLN A 842 22.679 18.242 18.450 1.00 0.00 H ATOM 1072 N SER A 843 19.738 19.347 19.684 1.00 14.17 N ATOM 1073 CA SER A 843 18.302 19.496 19.967 1.00 12.58 C ATOM 1074 C SER A 843 17.931 19.147 21.400 1.00 18.80 C ATOM 1075 O SER A 843 16.814 19.464 21.824 1.00 18.01 O ATOM 1076 CB SER A 843 17.494 18.611 19.023 1.00 12.10 C ATOM 1077 OG SER A 843 17.628 17.253 19.395 1.00 14.04 O ATOM 1078 HG SER A 843 18.582 16.992 19.349 1.00 0.00 H ATOM 1079 H SER A 843 20.035 18.579 19.049 1.00 0.00 H ATOM 1080 N ALA A 844 18.816 18.430 22.099 1.00 17.81 N ATOM 1081 CA ALA A 844 18.664 17.910 23.473 1.00 19.16 C ATOM 1082 C ALA A 844 17.635 16.775 23.533 1.00 22.69 C ATOM 1083 O ALA A 844 17.144 16.442 24.614 1.00 24.47 O ATOM 1084 CB ALA A 844 18.307 19.029 24.457 1.00 19.81 C ATOM 1085 H ALA A 844 19.714 18.214 21.621 1.00 0.00 H ATOM 1086 N MET A 845 17.356 16.157 22.364 1.00 16.67 N ATOM 1087 CA MET A 845 16.416 15.061 22.132 1.00 14.72 C ATOM 1088 C MET A 845 17.045 13.877 21.397 1.00 18.48 C ATOM 1089 O MET A 845 16.332 13.178 20.659 1.00 16.00 O ATOM 1090 CB MET A 845 15.270 15.555 21.235 1.00 15.97 C ATOM 1091 CG MET A 845 14.418 16.581 21.827 1.00 19.17 C ATOM 1092 SD MET A 845 13.092 16.815 20.652 1.00 22.13 S ATOM 1093 CE MET A 845 12.181 15.333 20.881 1.00 19.28 C ATOM 1094 H MET A 845 17.872 16.502 21.529 1.00 0.00 H ATOM 1095 N TYR A 846 18.370 13.645 21.576 1.00 15.13 N ATOM 1096 CA TYR A 846 19.091 12.597 20.861 1.00 13.48 C ATOM 1097 C TYR A 846 18.396 11.215 20.867 1.00 16.61 C ATOM 1098 O TYR A 846 18.190 10.619 19.805 1.00 15.37 O ATOM 1099 CB TYR A 846 20.525 12.494 21.400 1.00 16.74 C ATOM 1100 CG TYR A 846 21.357 11.581 20.539 1.00 19.30 C ATOM 1101 CD1 TYR A 846 21.814 11.996 19.293 1.00 20.80 C ATOM 1102 CD2 TYR A 846 21.651 10.282 20.946 1.00 21.55 C ATOM 1103 CE1 TYR A 846 22.531 11.141 18.465 1.00 21.66 C ATOM 1104 CE2 TYR A 846 22.411 9.431 20.146 1.00 22.34 C ATOM 1105 CZ TYR A 846 22.825 9.857 18.894 1.00 26.59 C ATOM 1106 OH TYR A 846 23.537 9.017 18.082 1.00 28.36 O ATOM 1107 HH TYR A 846 23.748 9.481 17.233 1.00 0.00 H ATOM 1108 H TYR A 846 18.893 14.239 22.251 1.00 0.00 H ATOM 1109 N GLU A 847 18.045 10.716 22.057 1.00 14.03 N ATOM 1110 CA GLU A 847 17.381 9.416 22.217 1.00 15.19 C ATOM 1111 C GLU A 847 16.006 9.362 21.549 1.00 17.15 C ATOM 1112 O GLU A 847 15.679 8.356 20.920 1.00 15.51 O ATOM 1113 CB GLU A 847 17.297 9.031 23.692 1.00 17.80 C ATOM 1114 CG GLU A 847 17.354 7.524 23.898 1.00 36.41 C ATOM 1115 CD GLU A 847 17.395 6.999 25.324 1.00 70.53 C ATOM 1116 OE1 GLU A 847 16.889 5.874 25.546 1.00 66.34 O ATOM 1117 OE2 GLU A 847 17.967 7.681 26.207 1.00 72.42 O ATOM 1118 H GLU A 847 18.252 11.275 22.909 1.00 0.00 H ATOM 1119 N LEU A 848 15.237 10.465 21.618 1.00 13.23 N ATOM 1120 CA LEU A 848 13.932 10.557 20.976 1.00 12.90 C ATOM 1121 C LEU A 848 14.116 10.552 19.467 1.00 15.21 C ATOM 1122 O LEU A 848 13.385 9.861 18.769 1.00 13.99 O ATOM 1123 CB LEU A 848 13.136 11.779 21.485 1.00 14.08 C ATOM 1124 CG LEU A 848 12.596 11.576 22.927 1.00 19.64 C ATOM 1125 CD1 LEU A 848 12.112 12.842 23.537 1.00 19.39 C ATOM 1126 CD2 LEU A 848 11.486 10.561 22.959 1.00 21.92 C ATOM 1127 H LEU A 848 15.589 11.285 22.152 1.00 0.00 H ATOM 1128 N CYS A 849 15.166 11.248 18.974 1.00 12.61 N ATOM 1129 CA CYS A 849 15.533 11.254 17.552 1.00 14.02 C ATOM 1130 C CYS A 849 15.911 9.853 17.047 1.00 14.60 C ATOM 1131 O CYS A 849 15.432 9.439 15.990 1.00 13.05 O ATOM 1132 CB CYS A 849 16.653 12.252 17.296 1.00 15.58 C ATOM 1133 SG CYS A 849 16.112 13.961 17.295 1.00 19.20 S ATOM 1134 H CYS A 849 15.742 11.807 19.635 1.00 0.00 H ATOM 1135 N GLN A 850 16.749 9.122 17.790 1.00 13.54 N ATOM 1136 CA GLN A 850 17.116 7.749 17.416 1.00 14.13 C ATOM 1137 C GLN A 850 15.886 6.823 17.376 1.00 18.67 C ATOM 1138 O GLN A 850 15.779 5.983 16.475 1.00 16.86 O ATOM 1139 CB GLN A 850 18.221 7.190 18.332 1.00 17.89 C ATOM 1140 CG GLN A 850 19.636 7.687 18.014 1.00 37.78 C ATOM 1141 CD GLN A 850 20.243 7.214 16.696 1.00 62.01 C ATOM 1142 OE1 GLN A 850 19.707 6.360 15.976 1.00 60.38 O ATOM 1143 NE2 GLN A 850 21.406 7.758 16.356 1.00 53.19 N ATOM 1144 HE22 GLN A 850 21.845 8.474 16.970 1.00 0.00 H ATOM 1145 HE21 GLN A 850 21.878 7.468 15.476 1.00 0.00 H ATOM 1146 H GLN A 850 17.151 9.536 18.655 1.00 0.00 H ATOM 1147 N GLY A 851 14.937 7.056 18.294 1.00 15.95 N ATOM 1148 CA GLY A 851 13.673 6.328 18.369 1.00 16.24 C ATOM 1149 C GLY A 851 12.877 6.529 17.099 1.00 18.46 C ATOM 1150 O GLY A 851 12.401 5.562 16.490 1.00 18.66 O ATOM 1151 H GLY A 851 15.112 7.802 18.997 1.00 0.00 H ATOM 1152 N MET A 852 12.821 7.795 16.635 1.00 14.36 N ATOM 1153 CA MET A 852 12.163 8.172 15.399 1.00 13.79 C ATOM 1154 C MET A 852 12.846 7.529 14.211 1.00 16.38 C ATOM 1155 O MET A 852 12.179 7.027 13.313 1.00 15.20 O ATOM 1156 CB MET A 852 12.221 9.693 15.237 1.00 16.42 C ATOM 1157 CG MET A 852 11.375 10.170 14.116 1.00 20.93 C ATOM 1158 SD MET A 852 9.658 10.114 14.637 1.00 25.52 S ATOM 1159 CE MET A 852 9.669 11.571 15.741 1.00 22.38 C ATOM 1160 H MET A 852 13.276 8.543 17.196 1.00 0.00 H ATOM 1161 N HIS A 853 14.177 7.567 14.195 1.00 14.60 N ATOM 1162 CA HIS A 853 14.962 6.994 13.124 1.00 16.77 C ATOM 1163 C HIS A 853 14.649 5.502 12.957 1.00 21.78 C ATOM 1164 O HIS A 853 14.638 5.016 11.825 1.00 22.03 O ATOM 1165 CB HIS A 853 16.452 7.213 13.414 1.00 19.48 C ATOM 1166 CG HIS A 853 17.352 6.763 12.313 1.00 24.18 C ATOM 1167 ND1 HIS A 853 18.407 5.907 12.556 1.00 27.73 N ATOM 1168 CD2 HIS A 853 17.306 7.040 10.989 1.00 26.06 C ATOM 1169 CE1 HIS A 853 18.989 5.713 11.383 1.00 27.21 C ATOM 1170 NE2 HIS A 853 18.345 6.359 10.408 1.00 26.86 N ATOM 1171 H HIS A 853 14.672 8.028 14.985 1.00 0.00 H ATOM 1172 N GLN A 854 14.351 4.788 14.067 1.00 18.57 N ATOM 1173 CA GLN A 854 14.034 3.352 14.027 1.00 18.66 C ATOM 1174 C GLN A 854 12.762 3.066 13.225 1.00 20.94 C ATOM 1175 O GLN A 854 12.726 2.086 12.484 1.00 21.19 O ATOM 1176 CB GLN A 854 13.937 2.749 15.438 1.00 20.48 C ATOM 1177 CG GLN A 854 15.285 2.568 16.145 1.00 35.66 C ATOM 1178 CD GLN A 854 16.207 1.596 15.435 1.00 64.14 C ATOM 1179 OE1 GLN A 854 15.841 0.450 15.133 1.00 62.43 O ATOM 1180 NE2 GLN A 854 17.425 2.041 15.144 1.00 57.88 N ATOM 1181 HE22 GLN A 854 17.703 3.007 15.410 1.00 0.00 H ATOM 1182 HE21 GLN A 854 18.100 1.423 14.650 1.00 0.00 H ATOM 1183 H GLN A 854 14.346 5.274 14.986 1.00 0.00 H ATOM 1184 N ILE A 855 11.735 3.928 13.354 1.00 15.95 N ATOM 1185 CA ILE A 855 10.494 3.819 12.595 1.00 14.58 C ATOM 1186 C ILE A 855 10.815 4.009 11.106 1.00 15.10 C ATOM 1187 O ILE A 855 10.411 3.177 10.305 1.00 12.87 O ATOM 1188 CB ILE A 855 9.390 4.811 13.102 1.00 17.12 C ATOM 1189 CG1 ILE A 855 9.033 4.565 14.610 1.00 17.81 C ATOM 1190 CG2 ILE A 855 8.151 4.795 12.184 1.00 17.89 C ATOM 1191 CD1 ILE A 855 8.243 3.214 14.970 1.00 20.68 C ATOM 1192 H ILE A 855 11.832 4.712 14.030 1.00 0.00 H ATOM 1193 N SER A 856 11.597 5.060 10.737 1.00 11.45 N ATOM 1194 CA SER A 856 11.924 5.285 9.330 1.00 11.36 C ATOM 1195 C SER A 856 12.735 4.113 8.774 1.00 15.88 C ATOM 1196 O SER A 856 12.617 3.764 7.595 1.00 16.77 O ATOM 1197 CB SER A 856 12.659 6.606 9.132 1.00 19.17 C ATOM 1198 OG SER A 856 13.945 6.520 9.711 1.00 32.52 O ATOM 1199 HG SER A 856 13.858 6.332 10.679 1.00 0.00 H ATOM 1200 H SER A 856 11.965 5.708 11.462 1.00 0.00 H ATOM 1201 N LEU A 857 13.529 3.474 9.642 1.00 11.77 N ATOM 1202 CA LEU A 857 14.304 2.311 9.242 1.00 12.94 C ATOM 1203 C LEU A 857 13.405 1.106 8.962 1.00 18.40 C ATOM 1204 O LEU A 857 13.751 0.276 8.117 1.00 21.01 O ATOM 1205 CB LEU A 857 15.385 2.008 10.272 1.00 13.45 C ATOM 1206 CG LEU A 857 16.662 2.872 10.211 1.00 18.62 C ATOM 1207 CD1 LEU A 857 17.699 2.354 11.208 1.00 18.85 C ATOM 1208 CD2 LEU A 857 17.291 2.886 8.802 1.00 22.36 C ATOM 1209 H LEU A 857 13.593 3.816 10.622 1.00 0.00 H ATOM 1210 N GLN A 858 12.216 1.051 9.612 1.00 13.50 N ATOM 1211 CA GLN A 858 11.237 -0.016 9.383 1.00 13.70 C ATOM 1212 C GLN A 858 10.565 0.163 8.027 1.00 14.64 C ATOM 1213 O GLN A 858 10.238 -0.838 7.373 1.00 14.03 O ATOM 1214 CB GLN A 858 10.180 -0.028 10.480 1.00 14.88 C ATOM 1215 CG GLN A 858 10.641 -0.678 11.772 1.00 21.23 C ATOM 1216 CD GLN A 858 10.803 -2.159 11.580 1.00 54.34 C ATOM 1217 OE1 GLN A 858 9.837 -2.894 11.325 1.00 51.09 O ATOM 1218 NE2 GLN A 858 12.045 -2.610 11.624 1.00 56.29 N ATOM 1219 HE22 GLN A 858 12.827 -1.960 11.842 1.00 0.00 H ATOM 1220 HE21 GLN A 858 12.240 -3.615 11.441 1.00 0.00 H ATOM 1221 H GLN A 858 11.989 1.796 10.301 1.00 0.00 H ATOM 1222 N PHE A 859 10.379 1.433 7.596 1.00 10.57 N ATOM 1223 CA PHE A 859 9.799 1.766 6.291 1.00 10.10 C ATOM 1224 C PHE A 859 10.697 1.201 5.194 1.00 15.55 C ATOM 1225 O PHE A 859 10.195 0.632 4.217 1.00 15.50 O ATOM 1226 CB PHE A 859 9.655 3.301 6.119 1.00 9.58 C ATOM 1227 CG PHE A 859 8.517 3.956 6.874 1.00 9.25 C ATOM 1228 CD1 PHE A 859 8.021 3.400 8.051 1.00 10.90 C ATOM 1229 CD2 PHE A 859 7.980 5.152 6.439 1.00 9.86 C ATOM 1230 CE1 PHE A 859 6.971 4.000 8.736 1.00 12.01 C ATOM 1231 CE2 PHE A 859 6.946 5.762 7.139 1.00 11.77 C ATOM 1232 CZ PHE A 859 6.472 5.203 8.303 1.00 10.16 C ATOM 1233 H PHE A 859 10.662 2.213 8.223 1.00 0.00 H ATOM 1234 N VAL A 860 12.034 1.314 5.380 1.00 14.00 N ATOM 1235 CA VAL A 860 13.032 0.751 4.467 1.00 14.03 C ATOM 1236 C VAL A 860 12.937 -0.793 4.455 1.00 17.18 C ATOM 1237 O VAL A 860 12.888 -1.396 3.380 1.00 18.38 O ATOM 1238 CB VAL A 860 14.480 1.222 4.820 1.00 18.18 C ATOM 1239 CG1 VAL A 860 15.538 0.397 4.082 1.00 19.30 C ATOM 1240 CG2 VAL A 860 14.659 2.699 4.504 1.00 17.30 C ATOM 1241 H VAL A 860 12.371 1.829 6.218 1.00 0.00 H ATOM 1242 N ARG A 861 12.917 -1.420 5.644 1.00 14.71 N ATOM 1243 CA ARG A 861 12.854 -2.875 5.796 1.00 15.51 C ATOM 1244 C ARG A 861 11.629 -3.441 5.090 1.00 18.24 C ATOM 1245 O ARG A 861 11.771 -4.357 4.287 1.00 16.79 O ATOM 1246 CB ARG A 861 12.860 -3.284 7.282 1.00 16.06 C ATOM 1247 CG ARG A 861 12.853 -4.801 7.505 1.00 31.35 C ATOM 1248 CD ARG A 861 12.737 -5.180 8.969 1.00 42.29 C ATOM 1249 NE ARG A 861 11.400 -4.907 9.501 1.00 56.70 N ATOM 1250 CZ ARG A 861 10.439 -5.818 9.630 1.00 71.93 C ATOM 1251 NH1 ARG A 861 9.258 -5.477 10.128 1.00 61.04 N ATOM 1252 NH2 ARG A 861 10.657 -7.079 9.274 1.00 56.73 N ATOM 1253 HE ARG A 861 11.187 -3.933 9.799 1.00 0.00 H ATOM 1254 HH12 ARG A 861 8.509 -6.192 10.227 1.00 0.00 H ATOM 1255 HH11 ARG A 861 9.081 -4.495 10.419 1.00 0.00 H ATOM 1256 HH22 ARG A 861 9.902 -7.786 9.377 1.00 0.00 H ATOM 1257 HH21 ARG A 861 11.583 -7.359 8.892 1.00 0.00 H ATOM 1258 H ARG A 861 12.948 -0.838 6.505 1.00 0.00 H ATOM 1259 N LEU A 862 10.462 -2.798 5.283 1.00 14.69 N ATOM 1260 CA LEU A 862 9.191 -3.232 4.715 1.00 14.21 C ATOM 1261 C LEU A 862 8.952 -2.748 3.298 1.00 17.23 C ATOM 1262 O LEU A 862 8.036 -3.241 2.640 1.00 17.74 O ATOM 1263 CB LEU A 862 8.041 -2.736 5.615 1.00 13.32 C ATOM 1264 CG LEU A 862 8.023 -3.265 7.045 1.00 19.10 C ATOM 1265 CD1 LEU A 862 7.183 -2.373 7.949 1.00 20.01 C ATOM 1266 CD2 LEU A 862 7.566 -4.713 7.105 1.00 22.02 C ATOM 1267 H LEU A 862 10.467 -1.941 5.872 1.00 0.00 H ATOM 1268 N GLN A 863 9.738 -1.761 2.834 1.00 12.55 N ATOM 1269 CA GLN A 863 9.557 -1.132 1.516 1.00 12.37 C ATOM 1270 C GLN A 863 8.109 -0.585 1.482 1.00 14.56 C ATOM 1271 O GLN A 863 7.313 -0.880 0.575 1.00 13.96 O ATOM 1272 CB GLN A 863 9.858 -2.120 0.371 1.00 15.21 C ATOM 1273 CG GLN A 863 11.357 -2.430 0.215 1.00 25.59 C ATOM 1274 CD GLN A 863 12.159 -1.211 -0.224 1.00 41.71 C ATOM 1275 OE1 GLN A 863 12.145 -0.817 -1.394 1.00 36.25 O ATOM 1276 NE2 GLN A 863 12.843 -0.558 0.715 1.00 32.11 N ATOM 1277 HE22 GLN A 863 12.843 -0.906 1.695 1.00 0.00 H ATOM 1278 HE21 GLN A 863 13.377 0.299 0.468 1.00 0.00 H ATOM 1279 H GLN A 863 10.515 -1.424 3.438 1.00 0.00 H ATOM 1280 N LEU A 864 7.762 0.155 2.535 1.00 11.40 N ATOM 1281 CA LEU A 864 6.418 0.719 2.659 1.00 10.81 C ATOM 1282 C LEU A 864 6.074 1.525 1.411 1.00 13.81 C ATOM 1283 O LEU A 864 6.904 2.299 0.946 1.00 13.69 O ATOM 1284 CB LEU A 864 6.332 1.611 3.903 1.00 10.10 C ATOM 1285 CG LEU A 864 4.932 2.003 4.362 1.00 11.87 C ATOM 1286 CD1 LEU A 864 4.184 0.782 4.901 1.00 11.81 C ATOM 1287 CD2 LEU A 864 5.033 3.100 5.394 1.00 10.11 C ATOM 1288 H LEU A 864 8.461 0.335 3.284 1.00 0.00 H ATOM 1289 N THR A 865 4.846 1.351 0.881 1.00 11.72 N ATOM 1290 CA THR A 865 4.406 2.053 -0.323 1.00 11.08 C ATOM 1291 C THR A 865 3.612 3.298 0.047 1.00 10.79 C ATOM 1292 O THR A 865 3.050 3.380 1.146 1.00 9.45 O ATOM 1293 CB THR A 865 3.524 1.146 -1.207 1.00 15.86 C ATOM 1294 OG1 THR A 865 2.297 0.909 -0.519 1.00 14.60 O ATOM 1295 CG2 THR A 865 4.209 -0.174 -1.618 1.00 18.87 C ATOM 1296 HG1 THR A 865 1.717 0.328 -1.072 1.00 0.00 H ATOM 1297 H THR A 865 4.188 0.693 1.346 1.00 0.00 H ATOM 1298 N PHE A 866 3.486 4.230 -0.891 1.00 9.75 N ATOM 1299 CA PHE A 866 2.713 5.452 -0.638 1.00 9.77 C ATOM 1300 C PHE A 866 1.232 5.150 -0.300 1.00 13.51 C ATOM 1301 O PHE A 866 0.692 5.715 0.658 1.00 14.93 O ATOM 1302 CB PHE A 866 2.852 6.394 -1.841 1.00 12.73 C ATOM 1303 CG PHE A 866 2.194 7.733 -1.633 1.00 14.77 C ATOM 1304 CD1 PHE A 866 2.612 8.579 -0.612 1.00 17.34 C ATOM 1305 CD2 PHE A 866 1.186 8.168 -2.483 1.00 18.40 C ATOM 1306 CE1 PHE A 866 2.005 9.823 -0.422 1.00 18.86 C ATOM 1307 CE2 PHE A 866 0.586 9.412 -2.296 1.00 20.99 C ATOM 1308 CZ PHE A 866 0.991 10.224 -1.260 1.00 18.42 C ATOM 1309 H PHE A 866 3.941 4.092 -1.816 1.00 0.00 H ATOM 1310 N GLU A 867 0.605 4.206 -1.021 1.00 10.99 N ATOM 1311 CA GLU A 867 -0.795 3.797 -0.774 1.00 12.10 C ATOM 1312 C GLU A 867 -0.969 3.245 0.652 1.00 14.21 C ATOM 1313 O GLU A 867 -1.897 3.638 1.351 1.00 15.67 O ATOM 1314 CB GLU A 867 -1.278 2.758 -1.806 1.00 15.24 C ATOM 1315 CG GLU A 867 -0.881 3.040 -3.249 1.00 27.58 C ATOM 1316 CD GLU A 867 0.405 2.369 -3.700 1.00 54.66 C ATOM 1317 OE1 GLU A 867 1.485 3.002 -3.600 1.00 29.05 O ATOM 1318 OE2 GLU A 867 0.333 1.198 -4.139 1.00 59.09 O ATOM 1319 H GLU A 867 1.129 3.740 -1.789 1.00 0.00 H ATOM 1320 N GLU A 868 -0.019 2.425 1.126 1.00 8.68 N ATOM 1321 CA GLU A 868 -0.062 1.866 2.492 1.00 7.34 C ATOM 1322 C GLU A 868 0.088 2.996 3.538 1.00 7.54 C ATOM 1323 O GLU A 868 -0.675 3.097 4.504 1.00 6.53 O ATOM 1324 CB GLU A 868 1.045 0.815 2.663 1.00 8.29 C ATOM 1325 CG GLU A 868 0.790 -0.487 1.921 1.00 13.39 C ATOM 1326 CD GLU A 868 2.005 -1.402 1.822 1.00 25.89 C ATOM 1327 OE1 GLU A 868 1.823 -2.602 1.514 1.00 18.87 O ATOM 1328 OE2 GLU A 868 3.140 -0.917 2.044 1.00 13.32 O ATOM 1329 H GLU A 868 0.778 2.173 0.508 1.00 0.00 H ATOM 1330 N TYR A 869 1.077 3.849 3.323 1.00 5.50 N ATOM 1331 CA TYR A 869 1.348 5.001 4.169 1.00 5.47 C ATOM 1332 C TYR A 869 0.087 5.868 4.377 1.00 6.99 C ATOM 1333 O TYR A 869 -0.306 6.110 5.520 1.00 7.16 O ATOM 1334 CB TYR A 869 2.478 5.804 3.497 1.00 6.16 C ATOM 1335 CG TYR A 869 2.627 7.190 4.070 1.00 6.98 C ATOM 1336 CD1 TYR A 869 3.074 7.379 5.369 1.00 8.01 C ATOM 1337 CD2 TYR A 869 2.291 8.312 3.322 1.00 7.22 C ATOM 1338 CE1 TYR A 869 3.185 8.646 5.915 1.00 7.36 C ATOM 1339 CE2 TYR A 869 2.402 9.591 3.855 1.00 7.35 C ATOM 1340 CZ TYR A 869 2.858 9.751 5.153 1.00 11.95 C ATOM 1341 OH TYR A 869 2.960 10.986 5.716 1.00 16.41 O ATOM 1342 HH TYR A 869 3.584 11.540 5.183 1.00 0.00 H ATOM 1343 H TYR A 869 1.695 3.686 2.503 1.00 0.00 H ATOM 1344 N THR A 870 -0.578 6.285 3.276 1.00 5.47 N ATOM 1345 CA THR A 870 -1.767 7.138 3.375 1.00 5.72 C ATOM 1346 C THR A 870 -2.892 6.492 4.201 1.00 10.03 C ATOM 1347 O THR A 870 -3.512 7.176 5.022 1.00 10.00 O ATOM 1348 CB THR A 870 -2.226 7.593 1.990 1.00 13.02 C ATOM 1349 OG1 THR A 870 -2.740 6.469 1.270 1.00 10.75 O ATOM 1350 CG2 THR A 870 -1.125 8.361 1.216 1.00 14.77 C ATOM 1351 HG1 THR A 870 -2.030 5.786 1.177 1.00 0.00 H ATOM 1352 H THR A 870 -0.238 5.994 2.337 1.00 0.00 H ATOM 1353 N ILE A 871 -3.110 5.179 4.040 1.00 7.49 N ATOM 1354 CA ILE A 871 -4.158 4.507 4.841 1.00 7.42 C ATOM 1355 C ILE A 871 -3.741 4.474 6.309 1.00 7.69 C ATOM 1356 O ILE A 871 -4.577 4.724 7.199 1.00 6.76 O ATOM 1357 CB ILE A 871 -4.505 3.091 4.301 1.00 9.85 C ATOM 1358 CG1 ILE A 871 -5.047 3.163 2.850 1.00 10.18 C ATOM 1359 CG2 ILE A 871 -5.549 2.403 5.208 1.00 10.24 C ATOM 1360 CD1 ILE A 871 -4.898 1.798 2.064 1.00 15.51 C ATOM 1361 H ILE A 871 -2.546 4.635 3.356 1.00 0.00 H ATOM 1362 N MET A 872 -2.487 4.111 6.559 1.00 6.96 N ATOM 1363 CA MET A 872 -1.921 4.020 7.921 1.00 6.95 C ATOM 1364 C MET A 872 -2.019 5.363 8.647 1.00 8.62 C ATOM 1365 O MET A 872 -2.359 5.392 9.825 1.00 8.55 O ATOM 1366 CB MET A 872 -0.494 3.515 7.872 1.00 8.47 C ATOM 1367 CG MET A 872 -0.425 2.044 7.491 1.00 11.39 C ATOM 1368 SD MET A 872 1.205 1.442 7.108 1.00 15.00 S ATOM 1369 CE MET A 872 1.835 1.199 8.744 1.00 12.41 C ATOM 1370 H MET A 872 -1.872 3.879 5.753 1.00 0.00 H ATOM 1371 N LYS A 873 -1.815 6.477 7.927 1.00 6.17 N ATOM 1372 CA LYS A 873 -1.920 7.814 8.532 1.00 5.55 C ATOM 1373 C LYS A 873 -3.355 8.058 9.009 1.00 8.05 C ATOM 1374 O LYS A 873 -3.569 8.580 10.101 1.00 7.32 O ATOM 1375 CB LYS A 873 -1.472 8.893 7.530 1.00 8.82 C ATOM 1376 CG LYS A 873 -1.229 10.250 8.190 1.00 22.07 C ATOM 1377 CD LYS A 873 -0.098 11.072 7.527 1.00 27.37 C ATOM 1378 CE LYS A 873 -0.276 11.308 6.039 1.00 36.47 C ATOM 1379 NZ LYS A 873 -1.526 12.039 5.728 1.00 39.08 N ATOM 1380 HZ1 LYS A 873 -2.341 11.489 6.066 1.00 0.00 H ATOM 1381 HZ2 LYS A 873 -1.511 12.965 6.201 1.00 0.00 H ATOM 1382 HZ3 LYS A 873 -1.600 12.175 4.700 1.00 0.00 H ATOM 1383 H LYS A 873 -1.577 6.393 6.918 1.00 0.00 H ATOM 1384 N VAL A 874 -4.339 7.634 8.224 1.00 6.40 N ATOM 1385 CA VAL A 874 -5.749 7.765 8.629 1.00 6.02 C ATOM 1386 C VAL A 874 -5.977 6.938 9.880 1.00 9.09 C ATOM 1387 O VAL A 874 -6.645 7.376 10.810 1.00 8.92 O ATOM 1388 CB VAL A 874 -6.711 7.351 7.502 1.00 8.57 C ATOM 1389 CG1 VAL A 874 -8.174 7.427 7.973 1.00 8.54 C ATOM 1390 CG2 VAL A 874 -6.496 8.224 6.258 1.00 8.80 C ATOM 1391 H VAL A 874 -4.110 7.202 7.306 1.00 0.00 H ATOM 1392 N LEU A 875 -5.401 5.744 9.919 1.00 6.37 N ATOM 1393 CA LEU A 875 -5.547 4.878 11.093 1.00 6.55 C ATOM 1394 C LEU A 875 -4.955 5.482 12.331 1.00 8.36 C ATOM 1395 O LEU A 875 -5.575 5.375 13.384 1.00 8.49 O ATOM 1396 CB LEU A 875 -5.001 3.484 10.806 1.00 6.96 C ATOM 1397 CG LEU A 875 -5.828 2.724 9.726 1.00 10.44 C ATOM 1398 CD1 LEU A 875 -5.183 1.407 9.349 1.00 10.63 C ATOM 1399 CD2 LEU A 875 -7.292 2.487 10.185 1.00 12.44 C ATOM 1400 H LEU A 875 -4.839 5.418 9.107 1.00 0.00 H ATOM 1401 N LEU A 876 -3.844 6.238 12.190 1.00 7.44 N ATOM 1402 CA LEU A 876 -3.237 6.935 13.327 1.00 6.92 C ATOM 1403 C LEU A 876 -4.134 8.091 13.792 1.00 7.31 C ATOM 1404 O LEU A 876 -4.304 8.269 14.994 1.00 6.80 O ATOM 1405 CB LEU A 876 -1.820 7.406 13.024 1.00 6.25 C ATOM 1406 CG LEU A 876 -0.781 6.301 12.791 1.00 7.93 C ATOM 1407 CD1 LEU A 876 0.532 6.934 12.444 1.00 7.31 C ATOM 1408 CD2 LEU A 876 -0.581 5.447 14.060 1.00 9.22 C ATOM 1409 H LEU A 876 -3.408 6.328 11.250 1.00 0.00 H ATOM 1410 N LEU A 877 -4.800 8.808 12.858 1.00 6.20 N ATOM 1411 CA LEU A 877 -5.757 9.840 13.273 1.00 6.84 C ATOM 1412 C LEU A 877 -6.863 9.224 14.171 1.00 7.61 C ATOM 1413 O LEU A 877 -7.385 9.887 15.064 1.00 8.38 O ATOM 1414 CB LEU A 877 -6.385 10.500 12.034 1.00 6.60 C ATOM 1415 CG LEU A 877 -7.590 11.461 12.230 1.00 8.74 C ATOM 1416 CD1 LEU A 877 -7.212 12.727 13.018 1.00 9.72 C ATOM 1417 CD2 LEU A 877 -8.191 11.817 10.891 1.00 6.57 C ATOM 1418 H LEU A 877 -4.634 8.628 11.847 1.00 0.00 H ATOM 1419 N LEU A 878 -7.203 7.970 13.921 1.00 6.91 N ATOM 1420 CA LEU A 878 -8.277 7.245 14.617 1.00 6.87 C ATOM 1421 C LEU A 878 -7.742 6.238 15.670 1.00 11.04 C ATOM 1422 O LEU A 878 -8.449 5.289 16.001 1.00 10.89 O ATOM 1423 CB LEU A 878 -9.075 6.488 13.536 1.00 7.09 C ATOM 1424 CG LEU A 878 -9.601 7.321 12.325 1.00 9.20 C ATOM 1425 CD1 LEU A 878 -10.343 6.449 11.346 1.00 10.94 C ATOM 1426 CD2 LEU A 878 -10.549 8.451 12.766 1.00 8.52 C ATOM 1427 H LEU A 878 -6.675 7.463 13.182 1.00 0.00 H ATOM 1428 N SER A 879 -6.542 6.472 16.231 1.00 7.87 N ATOM 1429 CA SER A 879 -5.948 5.502 17.158 1.00 8.37 C ATOM 1430 C SER A 879 -5.936 5.862 18.643 1.00 13.67 C ATOM 1431 O SER A 879 -5.435 5.066 19.441 1.00 14.81 O ATOM 1432 CB SER A 879 -4.529 5.164 16.720 1.00 10.50 C ATOM 1433 OG SER A 879 -4.586 4.370 15.550 1.00 12.11 O ATOM 1434 HG SER A 879 -5.047 4.874 14.833 1.00 0.00 H ATOM 1435 H SER A 879 -6.030 7.349 16.006 1.00 0.00 H ATOM 1436 N THR A 880 -6.424 7.045 19.022 1.00 9.55 N ATOM 1437 CA THR A 880 -6.452 7.452 20.440 1.00 9.67 C ATOM 1438 C THR A 880 -7.779 8.136 20.697 1.00 14.24 C ATOM 1439 O THR A 880 -8.112 9.092 20.020 1.00 12.91 O ATOM 1440 CB THR A 880 -5.265 8.347 20.808 1.00 17.89 C ATOM 1441 OG1 THR A 880 -4.047 7.757 20.357 1.00 18.80 O ATOM 1442 CG2 THR A 880 -5.189 8.623 22.321 1.00 19.26 C ATOM 1443 HG1 THR A 880 -4.079 7.647 19.374 1.00 0.00 H ATOM 1444 H THR A 880 -6.794 7.696 18.300 1.00 0.00 H ATOM 1445 N ILE A 881 -8.536 7.642 21.673 1.00 11.94 N ATOM 1446 CA ILE A 881 -9.871 8.189 21.949 1.00 11.33 C ATOM 1447 C ILE A 881 -10.039 8.445 23.451 1.00 15.49 C ATOM 1448 O ILE A 881 -9.239 7.919 24.217 1.00 14.60 O ATOM 1449 CB ILE A 881 -10.951 7.207 21.404 1.00 15.64 C ATOM 1450 CG1 ILE A 881 -10.954 5.857 22.162 1.00 16.21 C ATOM 1451 CG2 ILE A 881 -10.822 7.017 19.877 1.00 16.25 C ATOM 1452 CD1 ILE A 881 -12.191 4.965 21.903 1.00 16.79 C ATOM 1453 H ILE A 881 -8.177 6.855 22.250 1.00 0.00 H ATOM 1454 N PRO A 882 -11.072 9.180 23.925 1.00 12.68 N ATOM 1455 CA PRO A 882 -11.238 9.320 25.380 1.00 12.72 C ATOM 1456 C PRO A 882 -11.506 7.950 25.996 1.00 16.89 C ATOM 1457 O PRO A 882 -12.150 7.109 25.371 1.00 16.21 O ATOM 1458 CB PRO A 882 -12.469 10.227 25.516 1.00 14.68 C ATOM 1459 CG PRO A 882 -12.544 10.964 24.210 1.00 18.17 C ATOM 1460 CD PRO A 882 -12.120 9.923 23.203 1.00 13.18 C ATOM 1461 N LYS A 883 -11.046 7.736 27.229 1.00 15.80 N ATOM 1462 CA LYS A 883 -11.230 6.481 27.953 1.00 16.83 C ATOM 1463 C LYS A 883 -12.728 6.108 28.026 1.00 25.62 C ATOM 1464 O LYS A 883 -13.067 4.941 27.874 1.00 26.90 O ATOM 1465 CB LYS A 883 -10.561 6.589 29.336 1.00 20.55 C ATOM 1466 CG LYS A 883 -10.882 5.499 30.347 1.00 36.10 C ATOM 1467 CD LYS A 883 -10.510 5.931 31.768 1.00 45.09 C ATOM 1468 CE LYS A 883 -11.497 6.908 32.381 1.00 55.71 C ATOM 1469 NZ LYS A 883 -11.107 7.303 33.758 1.00 65.53 N ATOM 1470 HZ1 LYS A 883 -11.069 6.457 34.362 1.00 0.00 H ATOM 1471 HZ2 LYS A 883 -10.172 7.757 33.735 1.00 0.00 H ATOM 1472 HZ3 LYS A 883 -11.808 7.970 34.138 1.00 0.00 H ATOM 1473 H LYS A 883 -10.528 8.505 27.701 1.00 0.00 H ATOM 1474 N ASP A 884 -13.614 7.119 28.137 1.00 25.22 N ATOM 1475 CA ASP A 884 -15.062 6.929 28.188 1.00 26.48 C ATOM 1476 C ASP A 884 -15.734 7.020 26.793 1.00 28.08 C ATOM 1477 O ASP A 884 -16.959 7.073 26.706 1.00 28.60 O ATOM 1478 CB ASP A 884 -15.694 7.884 29.214 1.00 29.87 C ATOM 1479 CG ASP A 884 -15.167 7.659 30.621 1.00 45.24 C ATOM 1480 OD1 ASP A 884 -15.428 6.570 31.188 1.00 46.70 O ATOM 1481 OD2 ASP A 884 -14.469 8.559 31.145 1.00 53.07 O ATOM 1482 H ASP A 884 -13.245 8.090 28.189 1.00 0.00 H ATOM 1483 N GLY A 885 -14.917 6.939 25.735 1.00 21.29 N ATOM 1484 CA GLY A 885 -15.346 6.935 24.342 1.00 19.53 C ATOM 1485 C GLY A 885 -15.707 8.304 23.807 1.00 19.80 C ATOM 1486 O GLY A 885 -15.690 9.296 24.536 1.00 17.78 O ATOM 1487 H GLY A 885 -13.896 6.874 25.922 1.00 0.00 H ATOM 1488 N LEU A 886 -16.037 8.352 22.517 1.00 14.11 N ATOM 1489 CA LEU A 886 -16.386 9.588 21.826 1.00 13.10 C ATOM 1490 C LEU A 886 -17.876 9.878 21.955 1.00 16.24 C ATOM 1491 O LEU A 886 -18.615 9.017 22.426 1.00 12.73 O ATOM 1492 CB LEU A 886 -15.982 9.465 20.355 1.00 12.26 C ATOM 1493 CG LEU A 886 -14.464 9.443 20.134 1.00 14.91 C ATOM 1494 CD1 LEU A 886 -14.138 8.751 18.879 1.00 14.96 C ATOM 1495 CD2 LEU A 886 -13.871 10.839 20.170 1.00 12.80 C ATOM 1496 H LEU A 886 -16.046 7.464 21.976 1.00 0.00 H ATOM 1497 N LYS A 887 -18.316 11.087 21.533 1.00 14.40 N ATOM 1498 CA LYS A 887 -19.732 11.463 21.567 1.00 14.73 C ATOM 1499 C LYS A 887 -20.574 10.555 20.660 1.00 17.29 C ATOM 1500 O LYS A 887 -21.691 10.175 21.029 1.00 16.33 O ATOM 1501 CB LYS A 887 -19.931 12.954 21.218 1.00 17.53 C ATOM 1502 CG LYS A 887 -19.398 13.942 22.270 1.00 20.34 C ATOM 1503 CD LYS A 887 -20.083 13.850 23.638 1.00 33.11 C ATOM 1504 CE LYS A 887 -21.444 14.510 23.695 1.00 51.11 C ATOM 1505 NZ LYS A 887 -21.502 15.549 24.755 1.00 62.68 N ATOM 1506 HZ1 LYS A 887 -21.309 15.111 25.679 1.00 0.00 H ATOM 1507 HZ2 LYS A 887 -20.789 16.281 24.561 1.00 0.00 H ATOM 1508 HZ3 LYS A 887 -22.449 15.980 24.765 1.00 0.00 H ATOM 1509 H LYS A 887 -17.624 11.774 21.172 1.00 0.00 H ATOM 1510 N SER A 888 -20.034 10.225 19.477 1.00 12.98 N ATOM 1511 CA SER A 888 -20.652 9.343 18.487 1.00 13.36 C ATOM 1512 C SER A 888 -19.647 8.206 18.248 1.00 16.00 C ATOM 1513 O SER A 888 -18.939 8.167 17.232 1.00 14.42 O ATOM 1514 CB SER A 888 -20.935 10.096 17.191 1.00 16.30 C ATOM 1515 OG SER A 888 -21.957 11.053 17.403 1.00 17.09 O ATOM 1516 HG SER A 888 -22.135 11.537 16.558 1.00 0.00 H ATOM 1517 H SER A 888 -19.103 10.628 19.246 1.00 0.00 H ATOM 1518 N GLN A 889 -19.558 7.314 19.233 1.00 13.76 N ATOM 1519 CA GLN A 889 -18.650 6.165 19.206 1.00 13.42 C ATOM 1520 C GLN A 889 -18.936 5.234 18.021 1.00 18.98 C ATOM 1521 O GLN A 889 -18.005 4.817 17.332 1.00 18.65 O ATOM 1522 CB GLN A 889 -18.739 5.436 20.556 1.00 14.75 C ATOM 1523 CG GLN A 889 -17.678 4.340 20.777 1.00 23.53 C ATOM 1524 CD GLN A 889 -16.251 4.837 20.728 1.00 28.95 C ATOM 1525 OE1 GLN A 889 -15.954 5.985 21.061 1.00 20.97 O ATOM 1526 NE2 GLN A 889 -15.333 3.959 20.336 1.00 23.99 N ATOM 1527 HE22 GLN A 889 -15.617 2.997 20.061 1.00 0.00 H ATOM 1528 HE21 GLN A 889 -14.331 4.234 20.304 1.00 0.00 H ATOM 1529 H GLN A 889 -20.166 7.440 20.067 1.00 0.00 H ATOM 1530 N ALA A 890 -20.223 4.946 17.760 1.00 15.37 N ATOM 1531 CA ALA A 890 -20.626 4.081 16.652 1.00 15.99 C ATOM 1532 C ALA A 890 -20.164 4.643 15.313 1.00 17.84 C ATOM 1533 O ALA A 890 -19.625 3.884 14.509 1.00 16.74 O ATOM 1534 CB ALA A 890 -22.134 3.867 16.657 1.00 17.70 C ATOM 1535 H ALA A 890 -20.960 5.354 18.370 1.00 0.00 H ATOM 1536 N ALA A 891 -20.335 5.964 15.093 1.00 14.30 N ATOM 1537 CA ALA A 891 -19.891 6.638 13.864 1.00 14.13 C ATOM 1538 C ALA A 891 -18.365 6.510 13.693 1.00 15.97 C ATOM 1539 O ALA A 891 -17.880 6.243 12.595 1.00 15.55 O ATOM 1540 CB ALA A 891 -20.281 8.099 13.902 1.00 15.29 C ATOM 1541 H ALA A 891 -20.803 6.532 15.828 1.00 0.00 H ATOM 1542 N PHE A 892 -17.618 6.677 14.792 1.00 10.41 N ATOM 1543 CA PHE A 892 -16.167 6.560 14.780 1.00 8.54 C ATOM 1544 C PHE A 892 -15.735 5.133 14.430 1.00 12.51 C ATOM 1545 O PHE A 892 -14.855 4.940 13.585 1.00 12.53 O ATOM 1546 CB PHE A 892 -15.577 7.009 16.126 1.00 8.91 C ATOM 1547 CG PHE A 892 -14.167 6.511 16.365 1.00 8.53 C ATOM 1548 CD1 PHE A 892 -13.078 7.147 15.779 1.00 9.99 C ATOM 1549 CD2 PHE A 892 -13.932 5.395 17.157 1.00 10.20 C ATOM 1550 CE1 PHE A 892 -11.779 6.667 15.983 1.00 10.25 C ATOM 1551 CE2 PHE A 892 -12.641 4.867 17.291 1.00 12.50 C ATOM 1552 CZ PHE A 892 -11.573 5.522 16.719 1.00 10.51 C ATOM 1553 H PHE A 892 -18.094 6.899 15.690 1.00 0.00 H ATOM 1554 N GLU A 893 -16.350 4.139 15.065 1.00 10.83 N ATOM 1555 CA GLU A 893 -15.971 2.749 14.819 1.00 11.71 C ATOM 1556 C GLU A 893 -16.226 2.324 13.392 1.00 16.49 C ATOM 1557 O GLU A 893 -15.369 1.647 12.819 1.00 16.49 O ATOM 1558 CB GLU A 893 -16.614 1.810 15.831 1.00 14.22 C ATOM 1559 CG GLU A 893 -16.134 2.108 17.248 1.00 21.52 C ATOM 1560 CD GLU A 893 -16.557 1.101 18.299 1.00 42.40 C ATOM 1561 OE1 GLU A 893 -16.163 1.276 19.474 1.00 38.50 O ATOM 1562 OE2 GLU A 893 -17.255 0.122 17.946 1.00 35.08 O ATOM 1563 H GLU A 893 -17.108 4.353 15.744 1.00 0.00 H ATOM 1564 N GLU A 894 -17.317 2.807 12.778 1.00 13.24 N ATOM 1565 CA GLU A 894 -17.631 2.517 11.376 1.00 13.53 C ATOM 1566 C GLU A 894 -16.519 3.062 10.464 1.00 16.29 C ATOM 1567 O GLU A 894 -16.054 2.360 9.567 1.00 15.74 O ATOM 1568 CB GLU A 894 -18.955 3.154 10.973 1.00 15.92 C ATOM 1569 CG GLU A 894 -19.513 2.552 9.694 1.00 27.17 C ATOM 1570 CD GLU A 894 -20.706 3.253 9.071 1.00 54.80 C ATOM 1571 OE1 GLU A 894 -21.012 4.403 9.463 1.00 53.10 O ATOM 1572 OE2 GLU A 894 -21.302 2.664 8.140 1.00 48.15 O ATOM 1573 H GLU A 894 -17.967 3.412 13.319 1.00 0.00 H ATOM 1574 N MET A 895 -16.101 4.303 10.698 1.00 12.26 N ATOM 1575 CA MET A 895 -15.030 4.909 9.907 1.00 9.63 C ATOM 1576 C MET A 895 -13.757 4.107 10.098 1.00 11.95 C ATOM 1577 O MET A 895 -13.154 3.718 9.098 1.00 10.95 O ATOM 1578 CB MET A 895 -14.796 6.376 10.288 1.00 10.45 C ATOM 1579 CG MET A 895 -13.809 7.082 9.331 1.00 12.47 C ATOM 1580 SD MET A 895 -13.565 8.794 9.808 1.00 14.67 S ATOM 1581 CE MET A 895 -12.196 9.283 8.682 1.00 10.93 C ATOM 1582 H MET A 895 -16.545 4.854 11.460 1.00 0.00 H ATOM 1583 N ARG A 896 -13.340 3.866 11.367 1.00 9.16 N ATOM 1584 CA ARG A 896 -12.097 3.118 11.615 1.00 8.43 C ATOM 1585 C ARG A 896 -12.133 1.718 10.973 1.00 12.18 C ATOM 1586 O ARG A 896 -11.195 1.334 10.266 1.00 12.77 O ATOM 1587 CB ARG A 896 -11.796 3.044 13.108 1.00 8.58 C ATOM 1588 CG ARG A 896 -10.518 2.262 13.441 1.00 6.28 C ATOM 1589 CD ARG A 896 -10.138 2.394 14.898 1.00 18.38 C ATOM 1590 NE ARG A 896 -9.179 1.362 15.299 1.00 20.93 N ATOM 1591 CZ ARG A 896 -7.856 1.505 15.273 1.00 43.83 C ATOM 1592 NH1 ARG A 896 -7.308 2.642 14.849 1.00 27.79 N ATOM 1593 NH2 ARG A 896 -7.069 0.512 15.662 1.00 35.77 N ATOM 1594 HE ARG A 896 -9.559 0.452 15.628 1.00 0.00 H ATOM 1595 HH12 ARG A 896 -6.273 2.746 14.832 1.00 0.00 H ATOM 1596 HH11 ARG A 896 -7.915 3.426 14.535 1.00 0.00 H ATOM 1597 HH22 ARG A 896 -6.036 0.628 15.640 1.00 0.00 H ATOM 1598 HH21 ARG A 896 -7.485 -0.383 15.989 1.00 0.00 H ATOM 1599 H ARG A 896 -13.903 4.212 12.170 1.00 0.00 H ATOM 1600 N THR A 897 -13.221 0.983 11.181 1.00 9.43 N ATOM 1601 CA THR A 897 -13.366 -0.363 10.611 1.00 10.37 C ATOM 1602 C THR A 897 -13.209 -0.326 9.093 1.00 15.74 C ATOM 1603 O THR A 897 -12.556 -1.190 8.518 1.00 14.98 O ATOM 1604 CB THR A 897 -14.732 -0.946 11.008 1.00 17.69 C ATOM 1605 OG1 THR A 897 -14.781 -1.034 12.436 1.00 21.65 O ATOM 1606 CG2 THR A 897 -14.967 -2.332 10.415 1.00 14.02 C ATOM 1607 HG1 THR A 897 -14.669 -0.131 12.825 1.00 0.00 H ATOM 1608 H THR A 897 -13.990 1.372 11.763 1.00 0.00 H ATOM 1609 N ASN A 898 -13.768 0.709 8.448 1.00 13.33 N ATOM 1610 CA ASN A 898 -13.745 0.785 6.994 1.00 13.96 C ATOM 1611 C ASN A 898 -12.356 1.049 6.448 1.00 15.51 C ATOM 1612 O ASN A 898 -11.996 0.491 5.408 1.00 14.65 O ATOM 1613 CB ASN A 898 -14.782 1.764 6.497 1.00 17.63 C ATOM 1614 CG ASN A 898 -16.115 1.061 6.329 1.00 30.69 C ATOM 1615 OD1 ASN A 898 -16.349 0.371 5.340 1.00 31.33 O ATOM 1616 ND2 ASN A 898 -16.980 1.103 7.330 1.00 25.87 N ATOM 1617 HD22 ASN A 898 -16.780 1.688 8.166 1.00 0.00 H ATOM 1618 HD21 ASN A 898 -17.860 0.551 7.280 1.00 0.00 H ATOM 1619 H ASN A 898 -14.224 1.468 8.994 1.00 0.00 H ATOM 1620 N TYR A 899 -11.542 1.820 7.186 1.00 10.01 N ATOM 1621 CA TYR A 899 -10.169 2.073 6.771 1.00 9.91 C ATOM 1622 C TYR A 899 -9.282 0.850 7.014 1.00 12.10 C ATOM 1623 O TYR A 899 -8.309 0.672 6.299 1.00 12.08 O ATOM 1624 CB TYR A 899 -9.627 3.348 7.407 1.00 10.19 C ATOM 1625 CG TYR A 899 -10.035 4.580 6.622 1.00 10.13 C ATOM 1626 CD1 TYR A 899 -9.356 4.948 5.461 1.00 12.28 C ATOM 1627 CD2 TYR A 899 -11.167 5.314 6.975 1.00 10.27 C ATOM 1628 CE1 TYR A 899 -9.748 6.062 4.711 1.00 14.82 C ATOM 1629 CE2 TYR A 899 -11.567 6.434 6.235 1.00 10.19 C ATOM 1630 CZ TYR A 899 -10.851 6.804 5.106 1.00 13.75 C ATOM 1631 OH TYR A 899 -11.258 7.891 4.354 1.00 13.26 O ATOM 1632 HH TYR A 899 -11.251 8.703 4.920 1.00 0.00 H ATOM 1633 H TYR A 899 -11.897 2.243 8.067 1.00 0.00 H ATOM 1634 N ILE A 900 -9.594 0.032 8.044 1.00 9.96 N ATOM 1635 CA ILE A 900 -8.834 -1.199 8.321 1.00 10.70 C ATOM 1636 C ILE A 900 -9.102 -2.143 7.129 1.00 14.26 C ATOM 1637 O ILE A 900 -8.174 -2.746 6.588 1.00 14.86 O ATOM 1638 CB ILE A 900 -9.197 -1.846 9.697 1.00 13.61 C ATOM 1639 CG1 ILE A 900 -8.735 -0.929 10.876 1.00 12.83 C ATOM 1640 CG2 ILE A 900 -8.526 -3.223 9.811 1.00 15.35 C ATOM 1641 CD1 ILE A 900 -9.378 -1.336 12.310 1.00 14.24 C ATOM 1642 H ILE A 900 -10.395 0.279 8.660 1.00 0.00 H ATOM 1643 N LYS A 901 -10.366 -2.189 6.678 1.00 12.82 N ATOM 1644 CA LYS A 901 -10.740 -2.969 5.487 1.00 13.60 C ATOM 1645 C LYS A 901 -9.953 -2.466 4.275 1.00 18.08 C ATOM 1646 O LYS A 901 -9.467 -3.289 3.507 1.00 18.67 O ATOM 1647 CB LYS A 901 -12.251 -2.912 5.216 1.00 16.53 C ATOM 1648 CG LYS A 901 -13.108 -3.668 6.212 1.00 35.83 C ATOM 1649 CD LYS A 901 -14.582 -3.690 5.816 1.00 45.60 C ATOM 1650 CE LYS A 901 -15.417 -4.390 6.865 1.00 57.71 C ATOM 1651 NZ LYS A 901 -16.842 -4.513 6.456 1.00 69.16 N ATOM 1652 HZ1 LYS A 901 -17.241 -3.565 6.304 1.00 0.00 H ATOM 1653 HZ2 LYS A 901 -16.902 -5.061 5.574 1.00 0.00 H ATOM 1654 HZ3 LYS A 901 -17.376 -4.999 7.205 1.00 0.00 H ATOM 1655 H LYS A 901 -11.102 -1.658 7.185 1.00 0.00 H ATOM 1656 N GLU A 902 -9.750 -1.129 4.132 1.00 13.42 N ATOM 1657 CA GLU A 902 -8.961 -0.597 3.028 1.00 12.71 C ATOM 1658 C GLU A 902 -7.506 -1.052 3.127 1.00 17.22 C ATOM 1659 O GLU A 902 -6.915 -1.369 2.099 1.00 18.47 O ATOM 1660 CB GLU A 902 -9.040 0.943 2.913 1.00 12.35 C ATOM 1661 CG GLU A 902 -10.374 1.475 2.396 1.00 26.13 C ATOM 1662 CD GLU A 902 -10.955 0.826 1.148 1.00 48.33 C ATOM 1663 OE1 GLU A 902 -12.155 0.468 1.173 1.00 47.95 O ATOM 1664 OE2 GLU A 902 -10.214 0.660 0.152 1.00 39.71 O ATOM 1665 H GLU A 902 -10.166 -0.473 4.824 1.00 0.00 H ATOM 1666 N LEU A 903 -6.940 -1.142 4.360 1.00 13.91 N ATOM 1667 CA LEU A 903 -5.554 -1.577 4.520 1.00 14.27 C ATOM 1668 C LEU A 903 -5.403 -3.049 4.101 1.00 19.34 C ATOM 1669 O LEU A 903 -4.469 -3.371 3.365 1.00 18.11 O ATOM 1670 CB LEU A 903 -5.027 -1.343 5.944 1.00 14.15 C ATOM 1671 CG LEU A 903 -3.516 -1.598 6.169 1.00 18.58 C ATOM 1672 CD1 LEU A 903 -2.653 -0.585 5.426 1.00 17.47 C ATOM 1673 CD2 LEU A 903 -3.172 -1.589 7.645 1.00 23.04 C ATOM 1674 H LEU A 903 -7.501 -0.898 5.201 1.00 0.00 H ATOM 1675 N ARG A 904 -6.350 -3.902 4.525 1.00 16.88 N ATOM 1676 CA ARG A 904 -6.374 -5.335 4.190 1.00 18.13 C ATOM 1677 C ARG A 904 -6.477 -5.561 2.664 1.00 24.86 C ATOM 1678 O ARG A 904 -5.768 -6.410 2.137 1.00 24.28 O ATOM 1679 CB ARG A 904 -7.515 -6.064 4.935 1.00 17.99 C ATOM 1680 CG ARG A 904 -7.421 -7.592 4.882 1.00 30.65 C ATOM 1681 CD ARG A 904 -6.302 -8.133 5.766 1.00 48.31 C ATOM 1682 NE ARG A 904 -6.207 -9.595 5.753 1.00 61.24 N ATOM 1683 CZ ARG A 904 -5.476 -10.296 4.892 1.00 78.04 C ATOM 1684 NH1 ARG A 904 -4.781 -9.679 3.942 1.00 63.00 N ATOM 1685 NH2 ARG A 904 -5.444 -11.619 4.964 1.00 69.73 N ATOM 1686 HE ARG A 904 -6.749 -10.121 6.467 1.00 0.00 H ATOM 1687 HH12 ARG A 904 -4.211 -10.233 3.272 1.00 0.00 H ATOM 1688 HH11 ARG A 904 -4.807 -8.642 3.869 1.00 0.00 H ATOM 1689 HH22 ARG A 904 -4.871 -12.163 4.288 1.00 0.00 H ATOM 1690 HH21 ARG A 904 -5.992 -12.113 5.696 1.00 0.00 H ATOM 1691 H ARG A 904 -7.112 -3.528 5.126 1.00 0.00 H ATOM 1692 N LYS A 905 -7.337 -4.800 1.964 1.00 22.86 N ATOM 1693 CA LYS A 905 -7.488 -4.888 0.500 1.00 23.52 C ATOM 1694 C LYS A 905 -6.190 -4.433 -0.182 1.00 27.54 C ATOM 1695 O LYS A 905 -5.773 -5.032 -1.172 1.00 28.07 O ATOM 1696 CB LYS A 905 -8.634 -3.984 0.013 1.00 25.66 C ATOM 1697 CG LYS A 905 -10.035 -4.479 0.312 1.00 43.44 C ATOM 1698 CD LYS A 905 -11.061 -3.571 -0.363 1.00 52.10 C ATOM 1699 CE LYS A 905 -12.480 -4.058 -0.204 1.00 66.73 C ATOM 1700 NZ LYS A 905 -13.426 -3.262 -1.031 1.00 76.56 N ATOM 1701 HZ1 LYS A 905 -13.385 -2.265 -0.739 1.00 0.00 H ATOM 1702 HZ2 LYS A 905 -13.160 -3.342 -2.033 1.00 0.00 H ATOM 1703 HZ3 LYS A 905 -14.391 -3.625 -0.897 1.00 0.00 H ATOM 1704 H LYS A 905 -7.925 -4.115 2.481 1.00 0.00 H ATOM 1705 N MET A 906 -5.557 -3.384 0.355 1.00 23.22 N ATOM 1706 CA MET A 906 -4.324 -2.810 -0.176 1.00 24.66 C ATOM 1707 C MET A 906 -3.121 -3.760 -0.093 1.00 30.82 C ATOM 1708 O MET A 906 -2.341 -3.808 -1.049 1.00 31.61 O ATOM 1709 CB MET A 906 -4.006 -1.467 0.497 1.00 26.66 C ATOM 1710 CG MET A 906 -2.909 -0.647 -0.201 1.00 31.13 C ATOM 1711 SD MET A 906 -3.142 -0.415 -1.997 1.00 37.39 S ATOM 1712 CE MET A 906 -4.541 0.617 -2.005 1.00 33.71 C ATOM 1713 H MET A 906 -5.970 -2.950 1.205 1.00 0.00 H ATOM 1714 N VAL A 907 -2.969 -4.508 1.027 1.00 26.64 N ATOM 1715 CA VAL A 907 -1.828 -5.433 1.212 1.00 26.62 C ATOM 1716 C VAL A 907 -1.830 -6.582 0.190 1.00 33.25 C ATOM 1717 O VAL A 907 -0.755 -7.105 -0.118 1.00 34.45 O ATOM 1718 CB VAL A 907 -1.635 -5.953 2.659 1.00 29.74 C ATOM 1719 CG1 VAL A 907 -1.303 -4.811 3.604 1.00 28.52 C ATOM 1720 CG2 VAL A 907 -2.845 -6.739 3.165 1.00 29.98 C ATOM 1721 H VAL A 907 -3.679 -4.429 1.783 1.00 0.00 H ATOM 1722 N THR A 908 -3.012 -6.955 -0.342 1.00 29.72 N ATOM 1723 CA THR A 908 -3.170 -8.014 -1.355 1.00 56.38 C ATOM 1724 C THR A 908 -2.695 -7.541 -2.743 1.00 98.68 C ATOM 1725 O THR A 908 -1.533 -7.182 -2.939 1.00 65.92 O ATOM 1726 CB THR A 908 -4.632 -8.513 -1.439 1.00 61.86 C ATOM 1727 OG1 THR A 908 -5.438 -7.549 -2.113 1.00 61.53 O ATOM 1728 CG2 THR A 908 -5.239 -8.850 -0.084 1.00 58.84 C ATOM 1729 HG1 THR A 908 -5.413 -6.694 -1.615 1.00 0.00 H ATOM 1730 H THR A 908 -3.868 -6.463 -0.016 1.00 0.00 H TER 1731 THR A 908 ATOM 1732 N GLY A 915 2.421 -14.971 -2.968 1.00 57.68 N ATOM 1733 CA GLY A 915 1.043 -14.539 -3.169 1.00 56.80 C ATOM 1734 C GLY A 915 0.223 -14.386 -1.900 1.00 59.20 C ATOM 1735 O GLY A 915 -0.974 -14.079 -1.977 1.00 59.11 O ATOM 1736 HN3 GLY A 915 2.427 -15.898 -2.497 1.00 0.00 H ATOM 1737 HN2 GLY A 915 2.918 -14.276 -2.375 1.00 0.00 H ATOM 1738 HN1 GLY A 915 2.897 -15.046 -3.889 1.00 0.00 H ATOM 1739 N GLN A 916 0.854 -14.604 -0.720 1.00 53.16 N ATOM 1740 CA GLN A 916 0.203 -14.480 0.591 1.00 50.79 C ATOM 1741 C GLN A 916 0.281 -13.036 1.071 1.00 49.77 C ATOM 1742 O GLN A 916 1.341 -12.404 0.942 1.00 49.69 O ATOM 1743 CB GLN A 916 0.831 -15.428 1.621 1.00 52.52 C ATOM 1744 CG GLN A 916 0.544 -16.902 1.347 1.00 67.03 C ATOM 1745 CD GLN A 916 0.576 -17.738 2.605 1.00 83.42 C ATOM 1746 OE1 GLN A 916 -0.460 -18.205 3.101 1.00 73.78 O ATOM 1747 NE2 GLN A 916 1.769 -17.954 3.144 1.00 77.18 N ATOM 1748 HE22 GLN A 916 2.620 -17.548 2.704 1.00 0.00 H ATOM 1749 HE21 GLN A 916 1.854 -18.529 4.006 1.00 0.00 H ATOM 1750 H GLN A 916 1.858 -14.875 -0.744 1.00 0.00 H ATOM 1751 N SER A 917 -0.845 -12.504 1.602 1.00 41.01 N ATOM 1752 CA SER A 917 -0.924 -11.112 2.051 1.00 36.90 C ATOM 1753 C SER A 917 -1.071 -10.930 3.558 1.00 34.06 C ATOM 1754 O SER A 917 -0.658 -9.881 4.052 1.00 31.89 O ATOM 1755 CB SER A 917 -2.043 -10.375 1.325 1.00 39.69 C ATOM 1756 OG SER A 917 -3.314 -10.830 1.757 1.00 50.32 O ATOM 1757 HG SER A 917 -4.022 -10.337 1.272 1.00 0.00 H ATOM 1758 H SER A 917 -1.687 -13.107 1.695 1.00 0.00 H ATOM 1759 N TRP A 918 -1.661 -11.920 4.290 1.00 26.31 N ATOM 1760 CA TRP A 918 -1.857 -11.831 5.750 1.00 23.34 C ATOM 1761 C TRP A 918 -0.571 -11.456 6.477 1.00 24.14 C ATOM 1762 O TRP A 918 -0.617 -10.719 7.458 1.00 25.80 O ATOM 1763 CB TRP A 918 -2.473 -13.118 6.351 1.00 22.02 C ATOM 1764 CG TRP A 918 -1.607 -14.331 6.212 1.00 22.72 C ATOM 1765 CD1 TRP A 918 -1.611 -15.217 5.178 1.00 26.42 C ATOM 1766 CD2 TRP A 918 -0.567 -14.763 7.109 1.00 22.73 C ATOM 1767 NE1 TRP A 918 -0.661 -16.193 5.387 1.00 26.27 N ATOM 1768 CE2 TRP A 918 -0.002 -15.936 6.559 1.00 26.97 C ATOM 1769 CE3 TRP A 918 -0.045 -14.265 8.315 1.00 23.30 C ATOM 1770 CZ2 TRP A 918 1.038 -16.636 7.186 1.00 27.33 C ATOM 1771 CZ3 TRP A 918 1.008 -14.938 8.919 1.00 25.36 C ATOM 1772 CH2 TRP A 918 1.531 -16.118 8.366 1.00 27.14 C ATOM 1773 HE1 TRP A 918 -0.474 -16.997 4.755 1.00 0.00 H ATOM 1774 H TRP A 918 -1.987 -12.775 3.796 1.00 0.00 H ATOM 1775 N GLN A 919 0.572 -11.946 5.973 1.00 17.37 N ATOM 1776 CA GLN A 919 1.890 -11.686 6.525 1.00 17.29 C ATOM 1777 C GLN A 919 2.117 -10.181 6.494 1.00 18.51 C ATOM 1778 O GLN A 919 2.420 -9.593 7.530 1.00 17.48 O ATOM 1779 CB GLN A 919 2.962 -12.405 5.693 1.00 18.99 C ATOM 1780 CG GLN A 919 3.030 -13.899 5.932 1.00 33.36 C ATOM 1781 CD GLN A 919 3.488 -14.681 4.723 1.00 53.66 C ATOM 1782 OE1 GLN A 919 2.825 -15.624 4.290 1.00 49.10 O ATOM 1783 NE2 GLN A 919 4.642 -14.338 4.164 1.00 47.68 N ATOM 1784 HE22 GLN A 919 5.187 -13.538 4.545 1.00 0.00 H ATOM 1785 HE21 GLN A 919 5.001 -14.869 3.345 1.00 0.00 H ATOM 1786 H GLN A 919 0.510 -12.553 5.131 1.00 0.00 H ATOM 1787 N ARG A 920 1.890 -9.539 5.337 1.00 16.35 N ATOM 1788 CA ARG A 920 2.090 -8.074 5.250 1.00 14.75 C ATOM 1789 C ARG A 920 1.170 -7.259 6.160 1.00 15.79 C ATOM 1790 O ARG A 920 1.627 -6.303 6.784 1.00 14.39 O ATOM 1791 CB ARG A 920 1.986 -7.577 3.816 1.00 15.86 C ATOM 1792 CG ARG A 920 2.345 -6.095 3.685 1.00 15.04 C ATOM 1793 CD ARG A 920 3.277 -5.901 2.545 1.00 19.34 C ATOM 1794 NE ARG A 920 3.698 -4.509 2.394 1.00 13.72 N ATOM 1795 CZ ARG A 920 4.940 -4.095 2.627 1.00 27.17 C ATOM 1796 NH1 ARG A 920 5.864 -4.951 3.065 1.00 15.94 N ATOM 1797 NH2 ARG A 920 5.271 -2.827 2.423 1.00 16.53 N ATOM 1798 HE ARG A 920 2.992 -3.809 2.090 1.00 0.00 H ATOM 1799 HH12 ARG A 920 6.834 -4.622 3.246 1.00 0.00 H ATOM 1800 HH11 ARG A 920 5.615 -5.948 3.226 1.00 0.00 H ATOM 1801 HH22 ARG A 920 6.244 -2.507 2.607 1.00 0.00 H ATOM 1802 HH21 ARG A 920 4.558 -2.152 2.080 1.00 0.00 H ATOM 1803 H ARG A 920 1.573 -10.071 4.501 1.00 0.00 H ATOM 1804 N PHE A 921 -0.134 -7.600 6.194 1.00 14.47 N ATOM 1805 CA PHE A 921 -1.104 -6.928 7.044 1.00 13.01 C ATOM 1806 C PHE A 921 -0.637 -6.862 8.511 1.00 13.47 C ATOM 1807 O PHE A 921 -0.671 -5.789 9.116 1.00 12.03 O ATOM 1808 CB PHE A 921 -2.468 -7.627 6.924 1.00 15.38 C ATOM 1809 CG PHE A 921 -3.551 -7.006 7.772 1.00 16.47 C ATOM 1810 CD1 PHE A 921 -4.153 -5.809 7.397 1.00 19.16 C ATOM 1811 CD2 PHE A 921 -3.993 -7.634 8.930 1.00 20.01 C ATOM 1812 CE1 PHE A 921 -5.172 -5.247 8.172 1.00 20.04 C ATOM 1813 CE2 PHE A 921 -4.992 -7.054 9.722 1.00 22.88 C ATOM 1814 CZ PHE A 921 -5.583 -5.875 9.329 1.00 20.22 C ATOM 1815 H PHE A 921 -0.461 -8.378 5.586 1.00 0.00 H ATOM 1816 N TYR A 922 -0.191 -8.005 9.076 1.00 12.52 N ATOM 1817 CA TYR A 922 0.276 -8.057 10.457 1.00 12.17 C ATOM 1818 C TYR A 922 1.581 -7.296 10.646 1.00 14.12 C ATOM 1819 O TYR A 922 1.793 -6.726 11.723 1.00 12.69 O ATOM 1820 CB TYR A 922 0.344 -9.491 10.984 1.00 13.68 C ATOM 1821 CG TYR A 922 -1.016 -10.127 11.182 1.00 14.17 C ATOM 1822 CD1 TYR A 922 -1.881 -9.672 12.170 1.00 15.96 C ATOM 1823 CD2 TYR A 922 -1.407 -11.231 10.431 1.00 15.62 C ATOM 1824 CE1 TYR A 922 -3.102 -10.301 12.411 1.00 17.26 C ATOM 1825 CE2 TYR A 922 -2.644 -11.844 10.636 1.00 16.35 C ATOM 1826 CZ TYR A 922 -3.488 -11.373 11.630 1.00 21.00 C ATOM 1827 OH TYR A 922 -4.685 -11.985 11.880 1.00 19.84 O ATOM 1828 HH TYR A 922 -5.147 -11.514 12.618 1.00 0.00 H ATOM 1829 H TYR A 922 -0.180 -8.876 8.508 1.00 0.00 H ATOM 1830 N GLN A 923 2.420 -7.217 9.593 1.00 12.26 N ATOM 1831 CA GLN A 923 3.651 -6.429 9.685 1.00 11.51 C ATOM 1832 C GLN A 923 3.269 -4.942 9.816 1.00 14.20 C ATOM 1833 O GLN A 923 3.907 -4.203 10.570 1.00 13.65 O ATOM 1834 CB GLN A 923 4.524 -6.607 8.427 1.00 11.78 C ATOM 1835 CG GLN A 923 5.237 -7.971 8.345 1.00 17.09 C ATOM 1836 CD GLN A 923 6.081 -8.066 7.106 1.00 32.62 C ATOM 1837 OE1 GLN A 923 7.298 -8.247 7.179 1.00 37.86 O ATOM 1838 NE2 GLN A 923 5.470 -7.907 5.938 1.00 29.05 N ATOM 1839 HE22 GLN A 923 4.442 -7.756 5.905 1.00 0.00 H ATOM 1840 HE21 GLN A 923 6.020 -7.934 5.056 1.00 0.00 H ATOM 1841 H GLN A 923 2.192 -7.718 8.711 1.00 0.00 H ATOM 1842 N LEU A 924 2.203 -4.514 9.101 1.00 12.28 N ATOM 1843 CA LEU A 924 1.743 -3.122 9.127 1.00 11.32 C ATOM 1844 C LEU A 924 0.993 -2.780 10.411 1.00 12.24 C ATOM 1845 O LEU A 924 1.208 -1.718 10.981 1.00 10.38 O ATOM 1846 CB LEU A 924 0.887 -2.773 7.885 1.00 11.00 C ATOM 1847 CG LEU A 924 1.566 -2.935 6.488 1.00 14.19 C ATOM 1848 CD1 LEU A 924 0.709 -2.333 5.412 1.00 14.89 C ATOM 1849 CD2 LEU A 924 2.956 -2.279 6.434 1.00 15.92 C ATOM 1850 H LEU A 924 1.690 -5.199 8.510 1.00 0.00 H ATOM 1851 N THR A 925 0.174 -3.699 10.915 1.00 10.10 N ATOM 1852 CA THR A 925 -0.506 -3.425 12.177 1.00 9.58 C ATOM 1853 C THR A 925 0.489 -3.407 13.338 1.00 11.12 C ATOM 1854 O THR A 925 0.304 -2.628 14.271 1.00 10.61 O ATOM 1855 CB THR A 925 -1.690 -4.362 12.401 1.00 12.29 C ATOM 1856 OG1 THR A 925 -1.199 -5.714 12.399 1.00 11.03 O ATOM 1857 CG2 THR A 925 -2.787 -4.156 11.376 1.00 12.20 C ATOM 1858 HG1 THR A 925 -1.954 -6.338 12.543 1.00 0.00 H ATOM 1859 H THR A 925 0.021 -4.599 10.417 1.00 0.00 H ATOM 1860 N LYS A 926 1.558 -4.231 13.277 1.00 9.75 N ATOM 1861 CA LYS A 926 2.590 -4.225 14.336 1.00 9.91 C ATOM 1862 C LYS A 926 3.319 -2.860 14.344 1.00 13.44 C ATOM 1863 O LYS A 926 3.594 -2.305 15.405 1.00 13.43 O ATOM 1864 CB LYS A 926 3.602 -5.360 14.111 1.00 11.42 C ATOM 1865 CG LYS A 926 4.694 -5.441 15.185 1.00 16.58 C ATOM 1866 CD LYS A 926 5.624 -6.641 14.974 1.00 24.84 C ATOM 1867 CE LYS A 926 6.892 -6.472 15.789 1.00 39.24 C ATOM 1868 NZ LYS A 926 7.861 -7.584 15.578 1.00 47.40 N ATOM 1869 HZ1 LYS A 926 7.420 -8.484 15.856 1.00 0.00 H ATOM 1870 HZ2 LYS A 926 8.129 -7.623 14.574 1.00 0.00 H ATOM 1871 HZ3 LYS A 926 8.708 -7.419 16.158 1.00 0.00 H ATOM 1872 H LYS A 926 1.657 -4.881 12.471 1.00 0.00 H ATOM 1873 N LEU A 927 3.613 -2.329 13.159 1.00 12.29 N ATOM 1874 CA LEU A 927 4.234 -1.011 13.004 1.00 12.47 C ATOM 1875 C LEU A 927 3.333 0.087 13.628 1.00 15.62 C ATOM 1876 O LEU A 927 3.807 0.865 14.464 1.00 15.54 O ATOM 1877 CB LEU A 927 4.484 -0.711 11.509 1.00 13.06 C ATOM 1878 CG LEU A 927 5.166 0.630 11.160 1.00 15.61 C ATOM 1879 CD1 LEU A 927 6.471 0.776 11.848 1.00 14.75 C ATOM 1880 CD2 LEU A 927 5.414 0.738 9.672 1.00 20.99 C ATOM 1881 H LEU A 927 3.391 -2.876 12.303 1.00 0.00 H ATOM 1882 N LEU A 928 2.031 0.105 13.267 1.00 11.72 N ATOM 1883 CA LEU A 928 1.061 1.078 13.783 1.00 10.93 C ATOM 1884 C LEU A 928 0.984 1.014 15.298 1.00 15.27 C ATOM 1885 O LEU A 928 1.013 2.056 15.956 1.00 14.81 O ATOM 1886 CB LEU A 928 -0.320 0.847 13.176 1.00 10.83 C ATOM 1887 CG LEU A 928 -0.485 1.254 11.715 1.00 16.82 C ATOM 1888 CD1 LEU A 928 -1.756 0.617 11.114 1.00 18.15 C ATOM 1889 CD2 LEU A 928 -0.539 2.734 11.564 1.00 20.40 C ATOM 1890 H LEU A 928 1.699 -0.609 12.587 1.00 0.00 H ATOM 1891 N ASP A 929 0.932 -0.202 15.866 1.00 12.78 N ATOM 1892 CA ASP A 929 0.897 -0.349 17.311 1.00 12.12 C ATOM 1893 C ASP A 929 2.143 0.195 17.977 1.00 13.26 C ATOM 1894 O ASP A 929 2.023 0.801 19.032 1.00 13.92 O ATOM 1895 CB ASP A 929 0.670 -1.810 17.717 1.00 14.28 C ATOM 1896 CG ASP A 929 -0.756 -2.298 17.526 1.00 16.87 C ATOM 1897 OD1 ASP A 929 -1.651 -1.453 17.282 1.00 11.53 O ATOM 1898 OD2 ASP A 929 -0.989 -3.512 17.675 1.00 21.49 O ATOM 1899 H ASP A 929 0.917 -1.050 15.263 1.00 0.00 H ATOM 1900 N SER A 930 3.329 -0.006 17.376 1.00 10.45 N ATOM 1901 CA SER A 930 4.587 0.452 17.962 1.00 11.41 C ATOM 1902 C SER A 930 4.678 1.997 18.042 1.00 16.77 C ATOM 1903 O SER A 930 5.542 2.532 18.742 1.00 19.23 O ATOM 1904 CB SER A 930 5.763 -0.130 17.191 1.00 14.76 C ATOM 1905 OG SER A 930 5.969 0.655 16.033 1.00 16.86 O ATOM 1906 HG SER A 930 5.153 0.635 15.473 1.00 0.00 H ATOM 1907 H SER A 930 3.352 -0.504 16.463 1.00 0.00 H ATOM 1908 N MET A 931 3.790 2.705 17.333 1.00 12.67 N ATOM 1909 CA MET A 931 3.779 4.174 17.359 1.00 10.23 C ATOM 1910 C MET A 931 3.347 4.700 18.718 1.00 16.71 C ATOM 1911 O MET A 931 3.830 5.753 19.126 1.00 17.28 O ATOM 1912 CB MET A 931 2.868 4.771 16.273 1.00 10.80 C ATOM 1913 CG MET A 931 3.368 4.595 14.841 1.00 13.19 C ATOM 1914 SD MET A 931 4.987 5.309 14.487 1.00 15.70 S ATOM 1915 CE MET A 931 4.655 7.034 14.733 1.00 13.15 C ATOM 1916 H MET A 931 3.091 2.203 16.749 1.00 0.00 H ATOM 1917 N HIS A 932 2.437 3.999 19.412 1.00 12.13 N ATOM 1918 CA HIS A 932 1.945 4.486 20.709 1.00 11.18 C ATOM 1919 C HIS A 932 3.095 4.666 21.726 1.00 14.86 C ATOM 1920 O HIS A 932 3.166 5.709 22.381 1.00 13.31 O ATOM 1921 CB HIS A 932 0.838 3.572 21.263 1.00 11.49 C ATOM 1922 CG HIS A 932 -0.456 3.620 20.504 1.00 14.74 C ATOM 1923 ND1 HIS A 932 -1.183 4.786 20.401 1.00 16.36 N ATOM 1924 CD2 HIS A 932 -1.181 2.609 19.968 1.00 17.90 C ATOM 1925 CE1 HIS A 932 -2.300 4.467 19.755 1.00 16.72 C ATOM 1926 NE2 HIS A 932 -2.333 3.174 19.456 1.00 17.58 N ATOM 1927 H HIS A 932 2.076 3.102 19.028 1.00 0.00 H ATOM 1928 N ASP A 933 4.012 3.698 21.829 1.00 12.77 N ATOM 1929 CA ASP A 933 5.136 3.825 22.782 1.00 13.73 C ATOM 1930 C ASP A 933 6.079 4.975 22.481 1.00 16.26 C ATOM 1931 O ASP A 933 6.471 5.708 23.402 1.00 16.18 O ATOM 1932 CB ASP A 933 5.917 2.525 22.920 1.00 17.18 C ATOM 1933 CG ASP A 933 5.209 1.471 23.763 1.00 31.98 C ATOM 1934 OD1 ASP A 933 4.068 1.732 24.217 1.00 34.57 O ATOM 1935 OD2 ASP A 933 5.770 0.365 23.925 1.00 37.55 O ATOM 1936 H ASP A 933 3.934 2.849 21.234 1.00 0.00 H ATOM 1937 N LEU A 934 6.442 5.144 21.194 1.00 12.82 N ATOM 1938 CA LEU A 934 7.276 6.264 20.752 1.00 12.05 C ATOM 1939 C LEU A 934 6.573 7.596 21.070 1.00 12.48 C ATOM 1940 O LEU A 934 7.179 8.525 21.597 1.00 10.78 O ATOM 1941 CB LEU A 934 7.510 6.172 19.220 1.00 12.11 C ATOM 1942 CG LEU A 934 8.342 7.327 18.608 1.00 17.25 C ATOM 1943 CD1 LEU A 934 9.769 7.400 19.200 1.00 17.58 C ATOM 1944 CD2 LEU A 934 8.408 7.225 17.118 1.00 21.88 C ATOM 1945 H LEU A 934 6.118 4.453 20.488 1.00 0.00 H ATOM 1946 N VAL A 935 5.294 7.693 20.712 1.00 10.69 N ATOM 1947 CA VAL A 935 4.516 8.918 20.924 1.00 9.55 C ATOM 1948 C VAL A 935 4.437 9.281 22.415 1.00 12.40 C ATOM 1949 O VAL A 935 4.475 10.473 22.736 1.00 12.64 O ATOM 1950 CB VAL A 935 3.146 8.803 20.229 1.00 12.75 C ATOM 1951 CG1 VAL A 935 2.192 9.912 20.655 1.00 13.60 C ATOM 1952 CG2 VAL A 935 3.332 8.785 18.719 1.00 12.01 C ATOM 1953 H VAL A 935 4.832 6.874 20.268 1.00 0.00 H ATOM 1954 N SER A 936 4.382 8.275 23.318 1.00 10.92 N ATOM 1955 CA SER A 936 4.358 8.508 24.770 1.00 11.09 C ATOM 1956 C SER A 936 5.606 9.274 25.218 1.00 14.99 C ATOM 1957 O SER A 936 5.485 10.245 25.962 1.00 14.86 O ATOM 1958 CB SER A 936 4.251 7.196 25.540 1.00 15.36 C ATOM 1959 OG SER A 936 4.193 7.436 26.938 1.00 24.40 O ATOM 1960 HG SER A 936 4.124 6.573 27.417 1.00 0.00 H ATOM 1961 H SER A 936 4.356 7.295 22.971 1.00 0.00 H ATOM 1962 N ASP A 937 6.795 8.844 24.757 1.00 11.67 N ATOM 1963 CA ASP A 937 8.072 9.481 25.114 1.00 11.48 C ATOM 1964 C ASP A 937 8.203 10.868 24.499 1.00 13.66 C ATOM 1965 O ASP A 937 8.723 11.767 25.141 1.00 13.98 O ATOM 1966 CB ASP A 937 9.243 8.587 24.689 1.00 15.42 C ATOM 1967 CG ASP A 937 9.285 7.236 25.372 1.00 25.74 C ATOM 1968 OD1 ASP A 937 8.622 7.078 26.419 1.00 25.07 O ATOM 1969 OD2 ASP A 937 9.979 6.333 24.854 1.00 34.20 O ATOM 1970 H ASP A 937 6.812 8.023 24.119 1.00 0.00 H ATOM 1971 N LEU A 938 7.725 11.045 23.266 1.00 8.94 N ATOM 1972 CA LEU A 938 7.775 12.349 22.591 1.00 7.98 C ATOM 1973 C LEU A 938 6.880 13.320 23.333 1.00 12.94 C ATOM 1974 O LEU A 938 7.311 14.432 23.607 1.00 11.74 O ATOM 1975 CB LEU A 938 7.348 12.267 21.112 1.00 7.42 C ATOM 1976 CG LEU A 938 8.277 11.548 20.137 1.00 10.81 C ATOM 1977 CD1 LEU A 938 7.590 11.346 18.822 1.00 10.21 C ATOM 1978 CD2 LEU A 938 9.598 12.267 19.939 1.00 13.37 C ATOM 1979 H LEU A 938 7.304 10.235 22.767 1.00 0.00 H ATOM 1980 N LEU A 939 5.663 12.889 23.703 1.00 9.97 N ATOM 1981 CA LEU A 939 4.725 13.723 24.454 1.00 9.07 C ATOM 1982 C LEU A 939 5.283 14.070 25.832 1.00 11.66 C ATOM 1983 O LEU A 939 5.145 15.211 26.261 1.00 10.67 O ATOM 1984 CB LEU A 939 3.350 13.069 24.562 1.00 9.16 C ATOM 1985 CG LEU A 939 2.501 13.077 23.296 1.00 12.39 C ATOM 1986 CD1 LEU A 939 1.248 12.234 23.499 1.00 12.62 C ATOM 1987 CD2 LEU A 939 2.132 14.522 22.861 1.00 13.04 C ATOM 1988 H LEU A 939 5.376 11.923 23.445 1.00 0.00 H ATOM 1989 N GLU A 940 5.933 13.118 26.503 1.00 8.97 N ATOM 1990 CA GLU A 940 6.537 13.366 27.812 1.00 10.32 C ATOM 1991 C GLU A 940 7.525 14.537 27.719 1.00 12.40 C ATOM 1992 O GLU A 940 7.495 15.417 28.583 1.00 14.16 O ATOM 1993 CB GLU A 940 7.248 12.112 28.323 1.00 12.75 C ATOM 1994 CG GLU A 940 7.771 12.232 29.746 1.00 27.58 C ATOM 1995 CD GLU A 940 8.610 11.055 30.213 1.00 53.36 C ATOM 1996 OE1 GLU A 940 8.713 10.053 29.466 1.00 46.07 O ATOM 1997 OE2 GLU A 940 9.185 11.145 31.322 1.00 54.19 O ATOM 1998 H GLU A 940 6.013 12.170 26.083 1.00 0.00 H ATOM 1999 N PHE A 941 8.385 14.558 26.668 1.00 7.11 N ATOM 2000 CA PHE A 941 9.352 15.638 26.522 1.00 8.22 C ATOM 2001 C PHE A 941 8.654 16.931 26.154 1.00 12.55 C ATOM 2002 O PHE A 941 9.048 17.984 26.638 1.00 14.57 O ATOM 2003 CB PHE A 941 10.397 15.289 25.445 1.00 9.50 C ATOM 2004 CG PHE A 941 11.557 16.250 25.391 1.00 12.59 C ATOM 2005 CD1 PHE A 941 12.571 16.192 26.333 1.00 19.54 C ATOM 2006 CD2 PHE A 941 11.677 17.159 24.351 1.00 14.72 C ATOM 2007 CE1 PHE A 941 13.661 17.074 26.270 1.00 19.76 C ATOM 2008 CE2 PHE A 941 12.745 18.061 24.310 1.00 19.14 C ATOM 2009 CZ PHE A 941 13.750 17.984 25.242 1.00 17.69 C ATOM 2010 H PHE A 941 8.353 13.796 25.961 1.00 0.00 H ATOM 2011 N CYS A 942 7.644 16.851 25.262 1.00 8.55 N ATOM 2012 CA CYS A 942 6.899 18.032 24.823 1.00 9.42 C ATOM 2013 C CYS A 942 6.176 18.679 26.013 1.00 11.58 C ATOM 2014 O CYS A 942 6.247 19.891 26.196 1.00 12.35 O ATOM 2015 CB CYS A 942 5.919 17.657 23.718 1.00 11.27 C ATOM 2016 SG CYS A 942 4.985 19.064 23.093 1.00 16.41 S ATOM 2017 H CYS A 942 7.387 15.921 24.874 1.00 0.00 H ATOM 2018 N PHE A 943 5.503 17.865 26.839 1.00 8.42 N ATOM 2019 CA PHE A 943 4.794 18.357 28.029 1.00 9.04 C ATOM 2020 C PHE A 943 5.745 19.048 29.011 1.00 13.40 C ATOM 2021 O PHE A 943 5.424 20.117 29.532 1.00 13.43 O ATOM 2022 CB PHE A 943 4.004 17.231 28.709 1.00 10.10 C ATOM 2023 CG PHE A 943 2.840 16.645 27.922 1.00 10.29 C ATOM 2024 CD1 PHE A 943 2.282 17.333 26.843 1.00 11.16 C ATOM 2025 CD2 PHE A 943 2.286 15.427 28.280 1.00 11.04 C ATOM 2026 CE1 PHE A 943 1.238 16.772 26.104 1.00 11.01 C ATOM 2027 CE2 PHE A 943 1.226 14.883 27.555 1.00 13.23 C ATOM 2028 CZ PHE A 943 0.691 15.567 26.495 1.00 11.04 C ATOM 2029 H PHE A 943 5.482 16.846 26.630 1.00 0.00 H ATOM 2030 N TYR A 944 6.934 18.460 29.216 1.00 11.88 N ATOM 2031 CA TYR A 944 7.990 18.953 30.112 1.00 12.39 C ATOM 2032 C TYR A 944 8.456 20.347 29.680 1.00 15.72 C ATOM 2033 O TYR A 944 8.486 21.279 30.499 1.00 14.22 O ATOM 2034 CB TYR A 944 9.165 17.944 30.162 1.00 14.28 C ATOM 2035 CG TYR A 944 10.410 18.531 30.793 1.00 19.20 C ATOM 2036 CD1 TYR A 944 10.531 18.634 32.174 1.00 22.97 C ATOM 2037 CD2 TYR A 944 11.440 19.039 30.007 1.00 20.89 C ATOM 2038 CE1 TYR A 944 11.651 19.221 32.760 1.00 26.87 C ATOM 2039 CE2 TYR A 944 12.564 19.634 30.581 1.00 22.52 C ATOM 2040 CZ TYR A 944 12.655 19.738 31.959 1.00 32.69 C ATOM 2041 OH TYR A 944 13.759 20.320 32.537 1.00 40.13 O ATOM 2042 HH TYR A 944 13.658 20.311 33.522 1.00 0.00 H ATOM 2043 H TYR A 944 7.125 17.580 28.696 1.00 0.00 H ATOM 2044 N THR A 945 8.829 20.499 28.392 1.00 12.92 N ATOM 2045 CA THR A 945 9.281 21.790 27.857 1.00 13.33 C ATOM 2046 C THR A 945 8.128 22.801 27.822 1.00 16.67 C ATOM 2047 O THR A 945 8.377 23.988 27.985 1.00 16.06 O ATOM 2048 CB THR A 945 9.971 21.659 26.494 1.00 19.09 C ATOM 2049 OG1 THR A 945 8.994 21.352 25.512 1.00 13.90 O ATOM 2050 CG2 THR A 945 11.101 20.622 26.487 1.00 19.36 C ATOM 2051 HG1 THR A 945 9.432 21.266 24.628 1.00 0.00 H ATOM 2052 H THR A 945 8.795 19.675 27.758 1.00 0.00 H ATOM 2053 N PHE A 946 6.874 22.333 27.649 1.00 12.23 N ATOM 2054 CA PHE A 946 5.712 23.221 27.662 1.00 11.01 C ATOM 2055 C PHE A 946 5.478 23.812 29.054 1.00 17.67 C ATOM 2056 O PHE A 946 5.249 25.013 29.184 1.00 16.82 O ATOM 2057 CB PHE A 946 4.475 22.463 27.198 1.00 11.43 C ATOM 2058 CG PHE A 946 3.266 23.351 27.017 1.00 13.19 C ATOM 2059 CD1 PHE A 946 3.155 24.183 25.908 1.00 14.69 C ATOM 2060 CD2 PHE A 946 2.205 23.301 27.914 1.00 14.97 C ATOM 2061 CE1 PHE A 946 2.022 24.974 25.720 1.00 15.37 C ATOM 2062 CE2 PHE A 946 1.064 24.082 27.714 1.00 17.01 C ATOM 2063 CZ PHE A 946 0.985 24.919 26.625 1.00 14.75 C ATOM 2064 H PHE A 946 6.730 21.313 27.503 1.00 0.00 H ATOM 2065 N ARG A 947 5.596 22.972 30.096 1.00 18.46 N ATOM 2066 CA ARG A 947 5.422 23.345 31.510 1.00 21.70 C ATOM 2067 C ARG A 947 6.403 24.392 32.006 1.00 33.62 C ATOM 2068 O ARG A 947 6.084 25.096 32.965 1.00 34.94 O ATOM 2069 CB ARG A 947 5.559 22.119 32.386 1.00 22.73 C ATOM 2070 CG ARG A 947 4.277 21.399 32.619 1.00 26.66 C ATOM 2071 CD ARG A 947 4.440 20.626 33.902 1.00 36.56 C ATOM 2072 NE ARG A 947 3.157 20.132 34.367 1.00 48.09 N ATOM 2073 CZ ARG A 947 2.647 18.960 34.020 1.00 57.49 C ATOM 2074 NH1 ARG A 947 1.461 18.589 34.474 1.00 39.93 N ATOM 2075 NH2 ARG A 947 3.320 18.148 33.207 1.00 38.27 N ATOM 2076 HE ARG A 947 2.605 20.734 35.011 1.00 0.00 H ATOM 2077 HH12 ARG A 947 1.064 17.668 34.199 1.00 0.00 H ATOM 2078 HH11 ARG A 947 0.926 19.218 35.106 1.00 0.00 H ATOM 2079 HH22 ARG A 947 2.915 17.229 32.938 1.00 0.00 H ATOM 2080 HH21 ARG A 947 4.251 18.433 32.841 1.00 0.00 H ATOM 2081 H ARG A 947 5.829 21.980 29.888 1.00 0.00 H ATOM 2082 N GLU A 948 7.601 24.478 31.393 1.00 34.60 N ATOM 2083 CA GLU A 948 8.600 25.503 31.733 1.00 37.03 C ATOM 2084 C GLU A 948 9.325 26.028 30.464 1.00 42.76 C ATOM 2085 O GLU A 948 10.561 26.059 30.409 1.00 43.61 O ATOM 2086 CB GLU A 948 9.556 25.034 32.840 1.00 39.66 C ATOM 2087 CG GLU A 948 10.143 23.643 32.668 1.00 54.64 C ATOM 2088 CD GLU A 948 10.964 23.193 33.861 1.00 90.57 C ATOM 2089 OE1 GLU A 948 10.542 22.229 34.541 1.00 92.82 O ATOM 2090 OE2 GLU A 948 12.016 23.818 34.133 1.00 90.89 O ATOM 2091 H GLU A 948 7.829 23.790 30.647 1.00 0.00 H ATOM 2092 N SER A 949 8.523 26.481 29.457 1.00 39.27 N ATOM 2093 CA SER A 949 8.997 26.953 28.150 1.00 38.60 C ATOM 2094 C SER A 949 9.919 28.146 28.233 1.00 45.51 C ATOM 2095 O SER A 949 11.012 28.043 27.684 1.00 44.96 O ATOM 2096 CB SER A 949 7.850 27.185 27.169 1.00 40.26 C ATOM 2097 OG SER A 949 7.187 28.434 27.272 1.00 45.63 O ATOM 2098 HG SER A 949 6.466 28.480 26.595 1.00 0.00 H ATOM 2099 H SER A 949 7.497 26.493 29.629 1.00 0.00 H ATOM 2100 N HIS A 950 9.534 29.241 28.941 1.00 44.60 N ATOM 2101 CA HIS A 950 10.418 30.413 29.072 1.00 45.84 C ATOM 2102 C HIS A 950 11.725 30.096 29.799 1.00 50.96 C ATOM 2103 O HIS A 950 12.782 30.574 29.377 1.00 51.29 O ATOM 2104 CB HIS A 950 9.729 31.625 29.705 1.00 47.55 C ATOM 2105 CG HIS A 950 10.627 32.825 29.731 1.00 52.12 C ATOM 2106 ND1 HIS A 950 11.005 33.470 28.558 1.00 53.91 N ATOM 2107 CD2 HIS A 950 11.262 33.410 30.773 1.00 54.95 C ATOM 2108 CE1 HIS A 950 11.818 34.448 28.931 1.00 54.26 C ATOM 2109 NE2 HIS A 950 12.000 34.455 30.252 1.00 55.31 N ATOM 2110 H HIS A 950 8.600 29.252 29.398 1.00 0.00 H ATOM 2111 N ALA A 951 11.652 29.269 30.865 1.00 48.11 N ATOM 2112 CA ALA A 951 12.800 28.813 31.660 1.00 48.92 C ATOM 2113 C ALA A 951 13.855 28.130 30.770 1.00 51.89 C ATOM 2114 O ALA A 951 15.055 28.285 31.008 1.00 53.05 O ATOM 2115 CB ALA A 951 12.331 27.853 32.750 1.00 49.78 C ATOM 2116 H ALA A 951 10.710 28.929 31.144 1.00 0.00 H ATOM 2117 N LEU A 952 13.390 27.411 29.725 1.00 45.74 N ATOM 2118 CA LEU A 952 14.207 26.710 28.734 1.00 44.31 C ATOM 2119 C LEU A 952 14.340 27.503 27.410 1.00 44.07 C ATOM 2120 O LEU A 952 15.022 27.028 26.492 1.00 43.81 O ATOM 2121 CB LEU A 952 13.600 25.312 28.460 1.00 43.62 C ATOM 2122 CG LEU A 952 13.799 24.256 29.553 1.00 48.84 C ATOM 2123 CD1 LEU A 952 12.691 23.220 29.515 1.00 47.96 C ATOM 2124 CD2 LEU A 952 15.177 23.592 29.445 1.00 50.99 C ATOM 2125 H LEU A 952 12.358 27.350 29.615 1.00 0.00 H ATOM 2126 N LYS A 953 13.704 28.714 27.329 1.00 36.50 N ATOM 2127 CA LYS A 953 13.651 29.638 26.174 1.00 33.94 C ATOM 2128 C LYS A 953 13.015 28.970 24.925 1.00 30.42 C ATOM 2129 O LYS A 953 13.373 29.300 23.792 1.00 30.91 O ATOM 2130 CB LYS A 953 15.041 30.226 25.823 1.00 37.06 C ATOM 2131 CG LYS A 953 15.722 31.052 26.901 1.00 55.20 C ATOM 2132 CD LYS A 953 16.999 31.666 26.350 1.00 65.80 C ATOM 2133 CE LYS A 953 17.954 32.107 27.432 1.00 82.16 C ATOM 2134 NZ LYS A 953 19.229 32.639 26.871 1.00 93.19 N ATOM 2135 HZ1 LYS A 953 19.695 31.898 26.309 1.00 0.00 H ATOM 2136 HZ2 LYS A 953 19.024 33.459 26.265 1.00 0.00 H ATOM 2137 HZ3 LYS A 953 19.854 32.930 27.650 1.00 0.00 H ATOM 2138 H LYS A 953 13.197 29.021 28.183 1.00 0.00 H ATOM 2139 N VAL A 954 12.098 28.026 25.134 1.00 20.39 N ATOM 2140 CA VAL A 954 11.476 27.299 24.023 1.00 17.62 C ATOM 2141 C VAL A 954 10.147 27.925 23.699 1.00 19.34 C ATOM 2142 O VAL A 954 9.296 28.034 24.577 1.00 19.81 O ATOM 2143 CB VAL A 954 11.362 25.786 24.265 1.00 20.04 C ATOM 2144 CG1 VAL A 954 10.909 25.078 22.991 1.00 19.16 C ATOM 2145 CG2 VAL A 954 12.693 25.206 24.763 1.00 20.66 C ATOM 2146 H VAL A 954 11.817 27.799 26.109 1.00 0.00 H ATOM 2147 N GLU A 955 9.963 28.308 22.443 1.00 14.75 N ATOM 2148 CA GLU A 955 8.753 28.989 21.974 1.00 13.86 C ATOM 2149 C GLU A 955 7.740 28.019 21.380 1.00 12.47 C ATOM 2150 O GLU A 955 8.130 27.075 20.686 1.00 11.19 O ATOM 2151 CB GLU A 955 9.122 30.022 20.922 1.00 15.86 C ATOM 2152 CG GLU A 955 9.919 31.197 21.469 1.00 28.17 C ATOM 2153 CD GLU A 955 10.489 32.111 20.408 1.00 51.80 C ATOM 2154 OE1 GLU A 955 10.647 31.665 19.247 1.00 35.02 O ATOM 2155 OE2 GLU A 955 10.789 33.279 20.744 1.00 51.92 O ATOM 2156 H GLU A 955 10.718 28.115 21.754 1.00 0.00 H ATOM 2157 N PHE A 956 6.443 28.268 21.645 1.00 9.46 N ATOM 2158 CA PHE A 956 5.335 27.471 21.138 1.00 8.91 C ATOM 2159 C PHE A 956 4.395 28.362 20.322 1.00 12.53 C ATOM 2160 O PHE A 956 3.968 29.401 20.840 1.00 11.59 O ATOM 2161 CB PHE A 956 4.538 26.793 22.285 1.00 10.86 C ATOM 2162 CG PHE A 956 5.255 25.638 22.932 1.00 11.56 C ATOM 2163 CD1 PHE A 956 6.169 25.854 23.961 1.00 14.93 C ATOM 2164 CD2 PHE A 956 5.036 24.332 22.501 1.00 13.72 C ATOM 2165 CE1 PHE A 956 6.869 24.785 24.529 1.00 13.11 C ATOM 2166 CE2 PHE A 956 5.732 23.264 23.073 1.00 14.58 C ATOM 2167 CZ PHE A 956 6.640 23.500 24.084 1.00 12.68 C ATOM 2168 H PHE A 956 6.218 29.083 22.251 1.00 0.00 H ATOM 2169 N PRO A 957 4.009 27.974 19.080 1.00 9.89 N ATOM 2170 CA PRO A 957 3.024 28.790 18.351 1.00 10.73 C ATOM 2171 C PRO A 957 1.642 28.615 18.979 1.00 12.51 C ATOM 2172 O PRO A 957 1.422 27.647 19.719 1.00 12.57 O ATOM 2173 CB PRO A 957 3.080 28.249 16.918 1.00 12.94 C ATOM 2174 CG PRO A 957 3.538 26.834 17.077 1.00 15.84 C ATOM 2175 CD PRO A 957 4.421 26.780 18.304 1.00 11.84 C ATOM 2176 N ALA A 958 0.722 29.559 18.700 1.00 9.67 N ATOM 2177 CA ALA A 958 -0.640 29.586 19.232 1.00 9.61 C ATOM 2178 C ALA A 958 -1.394 28.241 19.097 1.00 13.62 C ATOM 2179 O ALA A 958 -2.078 27.830 20.036 1.00 12.79 O ATOM 2180 CB ALA A 958 -1.434 30.717 18.571 1.00 10.46 C ATOM 2181 H ALA A 958 1.002 30.327 18.057 1.00 0.00 H ATOM 2182 N MET A 959 -1.260 27.590 17.927 1.00 12.18 N ATOM 2183 CA MET A 959 -1.862 26.301 17.556 1.00 12.29 C ATOM 2184 C MET A 959 -1.463 25.196 18.524 1.00 14.03 C ATOM 2185 O MET A 959 -2.315 24.406 18.930 1.00 13.03 O ATOM 2186 CB MET A 959 -1.422 25.898 16.135 1.00 14.99 C ATOM 2187 CG MET A 959 -2.155 26.620 15.021 1.00 19.41 C ATOM 2188 SD MET A 959 -3.848 26.071 14.722 1.00 24.95 S ATOM 2189 CE MET A 959 -3.574 24.351 14.161 1.00 20.66 C ATOM 2190 H MET A 959 -0.666 28.048 17.207 1.00 0.00 H ATOM 2191 N LEU A 960 -0.161 25.110 18.853 1.00 9.68 N ATOM 2192 CA LEU A 960 0.373 24.114 19.781 1.00 8.83 C ATOM 2193 C LEU A 960 -0.018 24.472 21.203 1.00 11.67 C ATOM 2194 O LEU A 960 -0.329 23.572 21.974 1.00 10.42 O ATOM 2195 CB LEU A 960 1.894 24.042 19.703 1.00 9.23 C ATOM 2196 CG LEU A 960 2.547 23.318 18.520 1.00 13.32 C ATOM 2197 CD1 LEU A 960 3.809 22.632 18.965 1.00 13.58 C ATOM 2198 CD2 LEU A 960 1.604 22.437 17.771 1.00 12.65 C ATOM 2199 H LEU A 960 0.501 25.788 18.424 1.00 0.00 H ATOM 2200 N VAL A 961 -0.020 25.786 21.568 1.00 7.86 N ATOM 2201 CA VAL A 961 -0.439 26.167 22.926 1.00 7.10 C ATOM 2202 C VAL A 961 -1.853 25.652 23.166 1.00 13.27 C ATOM 2203 O VAL A 961 -2.119 25.071 24.216 1.00 13.89 O ATOM 2204 CB VAL A 961 -0.348 27.692 23.239 1.00 9.46 C ATOM 2205 CG1 VAL A 961 -0.971 28.014 24.606 1.00 9.03 C ATOM 2206 CG2 VAL A 961 1.092 28.176 23.212 1.00 9.34 C ATOM 2207 H VAL A 961 0.274 26.517 20.889 1.00 0.00 H ATOM 2208 N GLU A 962 -2.748 25.854 22.194 1.00 11.50 N ATOM 2209 CA GLU A 962 -4.137 25.430 22.308 1.00 11.66 C ATOM 2210 C GLU A 962 -4.255 23.908 22.424 1.00 13.10 C ATOM 2211 O GLU A 962 -4.971 23.419 23.312 1.00 12.59 O ATOM 2212 CB GLU A 962 -4.901 25.895 21.087 1.00 14.47 C ATOM 2213 CG GLU A 962 -6.389 25.726 21.257 1.00 29.42 C ATOM 2214 CD GLU A 962 -7.133 26.271 20.070 1.00 50.50 C ATOM 2215 OE1 GLU A 962 -7.309 27.512 20.012 1.00 34.80 O ATOM 2216 OE2 GLU A 962 -7.482 25.466 19.174 1.00 39.17 O ATOM 2217 H GLU A 962 -2.441 26.332 21.323 1.00 0.00 H ATOM 2218 N ILE A 963 -3.605 23.170 21.523 1.00 9.53 N ATOM 2219 CA ILE A 963 -3.683 21.711 21.532 1.00 9.65 C ATOM 2220 C ILE A 963 -3.106 21.152 22.822 1.00 11.92 C ATOM 2221 O ILE A 963 -3.767 20.361 23.489 1.00 12.87 O ATOM 2222 CB ILE A 963 -2.980 21.106 20.274 1.00 13.10 C ATOM 2223 CG1 ILE A 963 -3.769 21.475 18.979 1.00 14.29 C ATOM 2224 CG2 ILE A 963 -2.799 19.585 20.430 1.00 15.10 C ATOM 2225 CD1 ILE A 963 -3.064 21.021 17.637 1.00 19.90 C ATOM 2226 H ILE A 963 -3.030 23.644 20.798 1.00 0.00 H ATOM 2227 N ILE A 964 -1.877 21.546 23.153 1.00 7.85 N ATOM 2228 CA ILE A 964 -1.180 21.025 24.318 1.00 7.02 C ATOM 2229 C ILE A 964 -1.913 21.375 25.611 1.00 12.26 C ATOM 2230 O ILE A 964 -1.999 20.509 26.468 1.00 13.26 O ATOM 2231 CB ILE A 964 0.331 21.389 24.383 1.00 8.56 C ATOM 2232 CG1 ILE A 964 1.117 20.939 23.118 1.00 7.92 C ATOM 2233 CG2 ILE A 964 0.969 20.841 25.670 1.00 10.58 C ATOM 2234 CD1 ILE A 964 2.463 21.632 22.933 1.00 11.51 C ATOM 2235 H ILE A 964 -1.399 22.251 22.557 1.00 0.00 H ATOM 2236 N SER A 965 -2.426 22.616 25.775 1.00 9.10 N ATOM 2237 CA SER A 965 -3.135 22.982 27.008 1.00 9.11 C ATOM 2238 C SER A 965 -4.343 22.081 27.270 1.00 15.47 C ATOM 2239 O SER A 965 -4.693 21.868 28.420 1.00 17.12 O ATOM 2240 CB SER A 965 -3.589 24.437 26.986 1.00 13.53 C ATOM 2241 OG SER A 965 -2.461 25.280 26.847 1.00 16.77 O ATOM 2242 HG SER A 965 -1.993 25.066 26.001 1.00 0.00 H ATOM 2243 H SER A 965 -2.317 23.320 25.018 1.00 0.00 H ATOM 2244 N ASP A 966 -4.991 21.598 26.203 1.00 14.11 N ATOM 2245 CA ASP A 966 -6.173 20.731 26.253 1.00 15.85 C ATOM 2246 C ASP A 966 -5.733 19.270 26.453 1.00 19.37 C ATOM 2247 O ASP A 966 -6.292 18.555 27.285 1.00 20.69 O ATOM 2248 CB ASP A 966 -6.907 20.839 24.906 1.00 18.45 C ATOM 2249 CG ASP A 966 -8.396 20.641 25.000 1.00 42.65 C ATOM 2250 OD1 ASP A 966 -8.832 19.469 25.109 1.00 44.63 O ATOM 2251 OD2 ASP A 966 -9.135 21.656 24.934 1.00 53.44 O ATOM 2252 H ASP A 966 -4.628 21.858 25.264 1.00 0.00 H ATOM 2253 N GLN A 967 -4.724 18.841 25.694 1.00 12.16 N ATOM 2254 CA GLN A 967 -4.226 17.472 25.689 1.00 11.15 C ATOM 2255 C GLN A 967 -3.495 17.064 26.944 1.00 16.82 C ATOM 2256 O GLN A 967 -3.761 15.978 27.436 1.00 17.54 O ATOM 2257 CB GLN A 967 -3.335 17.257 24.461 1.00 9.42 C ATOM 2258 CG GLN A 967 -2.952 15.818 24.160 1.00 19.25 C ATOM 2259 CD GLN A 967 -1.747 15.817 23.261 1.00 18.63 C ATOM 2260 OE1 GLN A 967 -1.089 16.854 23.076 1.00 17.69 O ATOM 2261 NE2 GLN A 967 -1.351 14.634 22.777 1.00 14.49 N ATOM 2262 HE22 GLN A 967 -1.924 13.784 22.949 1.00 0.00 H ATOM 2263 HE21 GLN A 967 -0.470 14.565 22.229 1.00 0.00 H ATOM 2264 H GLN A 967 -4.263 19.528 25.065 1.00 0.00 H ATOM 2265 N LEU A 968 -2.539 17.894 27.424 1.00 14.03 N ATOM 2266 CA LEU A 968 -1.678 17.628 28.586 1.00 14.27 C ATOM 2267 C LEU A 968 -2.455 17.126 29.838 1.00 21.15 C ATOM 2268 O LEU A 968 -2.063 16.082 30.364 1.00 19.76 O ATOM 2269 CB LEU A 968 -0.789 18.848 28.914 1.00 13.82 C ATOM 2270 CG LEU A 968 0.420 18.636 29.848 1.00 17.04 C ATOM 2271 CD1 LEU A 968 1.438 19.727 29.656 1.00 15.61 C ATOM 2272 CD2 LEU A 968 0.007 18.641 31.302 1.00 18.22 C ATOM 2273 H LEU A 968 -2.402 18.798 26.928 1.00 0.00 H ATOM 2274 N PRO A 969 -3.505 17.815 30.357 1.00 18.82 N ATOM 2275 CA PRO A 969 -4.202 17.277 31.541 1.00 19.06 C ATOM 2276 C PRO A 969 -4.964 15.986 31.238 1.00 22.16 C ATOM 2277 O PRO A 969 -5.097 15.146 32.128 1.00 21.91 O ATOM 2278 CB PRO A 969 -5.133 18.415 31.964 1.00 21.39 C ATOM 2279 CG PRO A 969 -4.724 19.612 31.156 1.00 26.13 C ATOM 2280 CD PRO A 969 -4.139 19.067 29.904 1.00 20.10 C ATOM 2281 N LYS A 970 -5.408 15.791 29.976 1.00 17.14 N ATOM 2282 CA LYS A 970 -6.121 14.566 29.593 1.00 15.89 C ATOM 2283 C LYS A 970 -5.189 13.372 29.568 1.00 19.33 C ATOM 2284 O LYS A 970 -5.508 12.353 30.179 1.00 19.55 O ATOM 2285 CB LYS A 970 -6.848 14.728 28.256 1.00 16.24 C ATOM 2286 CG LYS A 970 -8.054 15.641 28.400 1.00 15.39 C ATOM 2287 CD LYS A 970 -8.758 15.920 27.081 1.00 33.64 C ATOM 2288 CE LYS A 970 -9.892 16.902 27.287 1.00 42.29 C ATOM 2289 NZ LYS A 970 -10.526 17.315 26.004 1.00 45.65 N ATOM 2290 HZ1 LYS A 970 -9.814 17.769 25.397 1.00 0.00 H ATOM 2291 HZ2 LYS A 970 -10.910 16.477 25.523 1.00 0.00 H ATOM 2292 HZ3 LYS A 970 -11.295 17.987 26.199 1.00 0.00 H ATOM 2293 H LYS A 970 -5.241 16.526 29.260 1.00 0.00 H ATOM 2294 N VAL A 971 -4.015 13.505 28.901 1.00 13.24 N ATOM 2295 CA VAL A 971 -3.033 12.422 28.816 1.00 12.21 C ATOM 2296 C VAL A 971 -2.500 12.054 30.203 1.00 21.29 C ATOM 2297 O VAL A 971 -2.465 10.874 30.536 1.00 23.19 O ATOM 2298 CB VAL A 971 -1.899 12.729 27.807 1.00 13.15 C ATOM 2299 CG1 VAL A 971 -0.763 11.712 27.903 1.00 13.68 C ATOM 2300 CG2 VAL A 971 -2.448 12.801 26.386 1.00 11.46 C ATOM 2301 H VAL A 971 -3.805 14.410 28.433 1.00 0.00 H ATOM 2302 N GLU A 972 -2.095 13.051 30.997 1.00 18.46 N ATOM 2303 CA GLU A 972 -1.524 12.820 32.324 1.00 19.28 C ATOM 2304 C GLU A 972 -2.525 12.237 33.328 1.00 25.88 C ATOM 2305 O GLU A 972 -2.110 11.487 34.211 1.00 26.77 O ATOM 2306 CB GLU A 972 -0.840 14.075 32.863 1.00 20.66 C ATOM 2307 CG GLU A 972 0.396 14.453 32.059 1.00 27.69 C ATOM 2308 CD GLU A 972 1.305 15.486 32.693 1.00 43.72 C ATOM 2309 OE1 GLU A 972 2.377 15.771 32.114 1.00 39.36 O ATOM 2310 OE2 GLU A 972 0.945 16.018 33.767 1.00 35.39 O ATOM 2311 H GLU A 972 -2.190 14.029 30.658 1.00 0.00 H ATOM 2312 N SER A 973 -3.831 12.506 33.158 1.00 23.31 N ATOM 2313 CA SER A 973 -4.838 11.938 34.061 1.00 24.62 C ATOM 2314 C SER A 973 -5.354 10.547 33.633 1.00 29.11 C ATOM 2315 O SER A 973 -6.279 10.036 34.266 1.00 28.67 O ATOM 2316 CB SER A 973 -6.001 12.904 34.255 1.00 28.10 C ATOM 2317 OG SER A 973 -6.726 13.066 33.048 1.00 32.24 O ATOM 2318 HG SER A 973 -6.124 13.426 32.349 1.00 0.00 H ATOM 2319 H SER A 973 -4.131 13.124 32.377 1.00 0.00 H ATOM 2320 N GLY A 974 -4.761 9.960 32.584 1.00 25.54 N ATOM 2321 CA GLY A 974 -5.155 8.654 32.053 1.00 25.10 C ATOM 2322 C GLY A 974 -6.484 8.658 31.316 1.00 30.00 C ATOM 2323 O GLY A 974 -7.148 7.619 31.212 1.00 29.21 O ATOM 2324 H GLY A 974 -3.976 10.461 32.121 1.00 0.00 H ATOM 2325 N ASN A 975 -6.890 9.832 30.801 1.00 27.77 N ATOM 2326 CA ASN A 975 -8.152 9.968 30.086 1.00 28.58 C ATOM 2327 C ASN A 975 -8.022 9.636 28.596 1.00 33.12 C ATOM 2328 O ASN A 975 -9.034 9.557 27.894 1.00 35.56 O ATOM 2329 CB ASN A 975 -8.782 11.338 30.325 1.00 31.92 C ATOM 2330 CG ASN A 975 -10.272 11.318 30.114 1.00 65.65 C ATOM 2331 OD1 ASN A 975 -10.777 11.741 29.065 1.00 62.08 O ATOM 2332 ND2 ASN A 975 -11.000 10.746 31.072 1.00 58.94 N ATOM 2333 HD22 ASN A 975 -10.540 10.403 31.939 1.00 0.00 H ATOM 2334 HD21 ASN A 975 -12.028 10.643 30.952 1.00 0.00 H ATOM 2335 H ASN A 975 -6.284 10.669 30.917 1.00 0.00 H ATOM 2336 N ALA A 976 -6.789 9.400 28.122 1.00 27.54 N ATOM 2337 CA ALA A 976 -6.534 9.008 26.744 1.00 26.23 C ATOM 2338 C ALA A 976 -6.533 7.485 26.698 1.00 30.28 C ATOM 2339 O ALA A 976 -6.066 6.827 27.640 1.00 32.93 O ATOM 2340 CB ALA A 976 -5.192 9.544 26.282 1.00 26.28 C ATOM 2341 H ALA A 976 -5.980 9.502 28.768 1.00 0.00 H ATOM 2342 N LYS A 977 -7.105 6.921 25.642 1.00 22.45 N ATOM 2343 CA LYS A 977 -7.150 5.475 25.464 1.00 20.21 C ATOM 2344 C LYS A 977 -6.499 5.126 24.131 1.00 19.79 C ATOM 2345 O LYS A 977 -7.110 5.290 23.075 1.00 16.96 O ATOM 2346 CB LYS A 977 -8.582 4.922 25.562 1.00 21.91 C ATOM 2347 CG LYS A 977 -8.674 3.416 25.385 1.00 28.03 C ATOM 2348 CD LYS A 977 -10.100 2.933 25.533 1.00 40.16 C ATOM 2349 CE LYS A 977 -10.177 1.434 25.449 1.00 54.86 C ATOM 2350 NZ LYS A 977 -11.543 0.940 25.756 1.00 70.47 N ATOM 2351 HZ1 LYS A 977 -11.807 1.230 26.719 1.00 0.00 H ATOM 2352 HZ2 LYS A 977 -12.217 1.343 25.075 1.00 0.00 H ATOM 2353 HZ3 LYS A 977 -11.558 -0.098 25.688 1.00 0.00 H ATOM 2354 H LYS A 977 -7.535 7.531 24.918 1.00 0.00 H ATOM 2355 N PRO A 978 -5.240 4.672 24.149 1.00 15.84 N ATOM 2356 CA PRO A 978 -4.624 4.246 22.890 1.00 13.67 C ATOM 2357 C PRO A 978 -5.297 2.963 22.402 1.00 16.27 C ATOM 2358 O PRO A 978 -5.576 2.055 23.199 1.00 16.03 O ATOM 2359 CB PRO A 978 -3.152 4.036 23.272 1.00 16.10 C ATOM 2360 CG PRO A 978 -3.199 3.635 24.720 1.00 22.37 C ATOM 2361 CD PRO A 978 -4.358 4.420 25.310 1.00 18.13 C ATOM 2362 N LEU A 979 -5.642 2.918 21.118 1.00 10.29 N ATOM 2363 CA LEU A 979 -6.288 1.747 20.504 1.00 9.09 C ATOM 2364 C LEU A 979 -5.194 0.905 19.841 1.00 13.24 C ATOM 2365 O LEU A 979 -4.406 1.426 19.058 1.00 13.16 O ATOM 2366 CB LEU A 979 -7.314 2.178 19.444 1.00 8.41 C ATOM 2367 CG LEU A 979 -8.570 2.907 19.930 1.00 12.52 C ATOM 2368 CD1 LEU A 979 -9.511 3.176 18.763 1.00 12.03 C ATOM 2369 CD2 LEU A 979 -9.260 2.156 21.083 1.00 13.78 C ATOM 2370 H LEU A 979 -5.446 3.747 20.522 1.00 0.00 H ATOM 2371 N TYR A 980 -5.124 -0.369 20.198 1.00 10.38 N ATOM 2372 CA TYR A 980 -4.121 -1.307 19.698 1.00 10.89 C ATOM 2373 C TYR A 980 -4.774 -2.346 18.825 1.00 15.05 C ATOM 2374 O TYR A 980 -5.840 -2.833 19.181 1.00 14.94 O ATOM 2375 CB TYR A 980 -3.491 -2.059 20.901 1.00 11.81 C ATOM 2376 CG TYR A 980 -2.316 -1.328 21.503 1.00 13.15 C ATOM 2377 CD1 TYR A 980 -2.507 -0.288 22.410 1.00 15.48 C ATOM 2378 CD2 TYR A 980 -1.012 -1.625 21.113 1.00 13.79 C ATOM 2379 CE1 TYR A 980 -1.419 0.414 22.944 1.00 16.99 C ATOM 2380 CE2 TYR A 980 0.077 -0.924 21.629 1.00 14.22 C ATOM 2381 CZ TYR A 980 -0.133 0.109 22.526 1.00 19.29 C ATOM 2382 OH TYR A 980 0.966 0.751 23.041 1.00 22.17 O ATOM 2383 HH TYR A 980 0.670 1.462 23.663 1.00 0.00 H ATOM 2384 H TYR A 980 -5.827 -0.724 20.877 1.00 0.00 H ATOM 2385 N PHE A 981 -4.106 -2.758 17.729 1.00 11.68 N ATOM 2386 CA PHE A 981 -4.619 -3.868 16.921 1.00 11.80 C ATOM 2387 C PHE A 981 -4.396 -5.151 17.711 1.00 13.49 C ATOM 2388 O PHE A 981 -5.256 -6.028 17.730 1.00 13.78 O ATOM 2389 CB PHE A 981 -3.872 -3.986 15.578 1.00 13.10 C ATOM 2390 CG PHE A 981 -4.314 -2.927 14.601 1.00 14.60 C ATOM 2391 CD1 PHE A 981 -5.437 -3.121 13.804 1.00 17.76 C ATOM 2392 CD2 PHE A 981 -3.630 -1.730 14.501 1.00 17.39 C ATOM 2393 CE1 PHE A 981 -5.876 -2.119 12.935 1.00 18.09 C ATOM 2394 CE2 PHE A 981 -4.061 -0.731 13.623 1.00 19.85 C ATOM 2395 CZ PHE A 981 -5.187 -0.936 12.850 1.00 17.37 C ATOM 2396 H PHE A 981 -3.221 -2.285 17.455 1.00 0.00 H ATOM 2397 N HIS A 982 -3.247 -5.221 18.398 1.00 11.14 N ATOM 2398 CA HIS A 982 -2.825 -6.405 19.157 1.00 12.15 C ATOM 2399 C HIS A 982 -2.358 -5.980 20.530 1.00 17.13 C ATOM 2400 O HIS A 982 -1.283 -5.392 20.661 1.00 16.78 O ATOM 2401 CB HIS A 982 -1.724 -7.139 18.389 1.00 12.64 C ATOM 2402 CG HIS A 982 -1.971 -7.206 16.917 1.00 14.11 C ATOM 2403 ND1 HIS A 982 -2.991 -7.971 16.391 1.00 14.88 N ATOM 2404 CD2 HIS A 982 -1.364 -6.532 15.909 1.00 14.44 C ATOM 2405 CE1 HIS A 982 -2.936 -7.791 15.076 1.00 14.25 C ATOM 2406 NE2 HIS A 982 -1.994 -6.909 14.743 1.00 14.00 N ATOM 2407 H HIS A 982 -2.620 -4.391 18.393 1.00 0.00 H ATOM 2408 N ARG A 983 -3.206 -6.200 21.544 1.00 16.33 N ATOM 2409 CA ARG A 983 -2.925 -5.878 22.953 1.00 17.92 C ATOM 2410 C ARG A 983 -1.524 -6.361 23.351 1.00 24.75 C ATOM 2411 O ARG A 983 -1.196 -7.530 23.128 1.00 24.46 O ATOM 2412 CB ARG A 983 -3.974 -6.536 23.879 1.00 20.97 C ATOM 2413 CG ARG A 983 -5.263 -5.736 23.964 1.00 41.43 C ATOM 2414 CD ARG A 983 -6.385 -6.558 24.573 1.00 61.87 C ATOM 2415 NE ARG A 983 -7.702 -5.982 24.291 1.00 74.40 N ATOM 2416 CZ ARG A 983 -8.314 -5.088 25.061 1.00 94.67 C ATOM 2417 NH1 ARG A 983 -9.505 -4.616 24.719 1.00 86.60 N ATOM 2418 NH2 ARG A 983 -7.737 -4.656 26.176 1.00 84.21 N ATOM 2419 HE ARG A 983 -8.192 -6.294 23.429 1.00 0.00 H ATOM 2420 HH12 ARG A 983 -9.981 -3.917 25.324 1.00 0.00 H ATOM 2421 HH11 ARG A 983 -9.964 -4.945 23.846 1.00 0.00 H ATOM 2422 HH22 ARG A 983 -8.221 -3.956 26.774 1.00 0.00 H ATOM 2423 HH21 ARG A 983 -6.801 -5.017 26.451 1.00 0.00 H ATOM 2424 H ARG A 983 -4.127 -6.628 21.320 1.00 0.00 H ATOM 2425 N LYS A 984 -0.692 -5.438 23.893 1.00 22.76 N ATOM 2426 CA LYS A 984 0.689 -5.689 24.340 1.00 35.72 C ATOM 2427 C LYS A 984 0.777 -6.843 25.338 1.00 67.05 C ATOM 2428 O LYS A 984 -0.007 -6.893 26.281 1.00 33.90 O ATOM 2429 CB LYS A 984 1.287 -4.423 24.977 1.00 37.67 C ATOM 2430 CG LYS A 984 1.524 -3.268 24.007 1.00 50.45 C ATOM 2431 CD LYS A 984 2.329 -2.120 24.631 1.00 55.63 C ATOM 2432 CE LYS A 984 1.545 -1.269 25.600 1.00 63.55 C ATOM 2433 NZ LYS A 984 2.290 -0.036 25.960 1.00 73.13 N ATOM 2434 HZ1 LYS A 984 3.194 -0.296 26.403 1.00 0.00 H ATOM 2435 HZ2 LYS A 984 2.471 0.521 25.101 1.00 0.00 H ATOM 2436 HZ3 LYS A 984 1.725 0.527 26.627 1.00 0.00 H ATOM 2437 H LYS A 984 -1.060 -4.471 24.002 1.00 0.00 H TER 2438 LYS A 984 HETATM 2439 O HOH 1 -17.893 8.381 8.463 1.00 26.41 O HETATM 2440 O HOH 2 -19.012 7.141 10.377 1.00 17.76 O HETATM 2441 O HOH 3 28.408 18.185 18.889 1.00 33.03 O HETATM 2442 O HOH 4 0.716 25.386 7.080 1.00 30.56 O HETATM 2443 O HOH 5 -3.279 8.811 18.041 1.00 31.50 O HETATM 2444 O HOH 6 -17.318 10.246 16.298 1.00 19.43 O HETATM 2445 O HOH 7 -7.635 -0.520 -0.324 1.00 25.05 O HETATM 2446 O HOH 8 9.648 30.483 17.075 1.00 39.89 O HETATM 2447 O HOH 9 6.361 -4.408 11.607 1.00 16.34 O HETATM 2448 O HOH 10 -2.483 1.046 16.830 1.00 23.95 O HETATM 2449 O HOH 11 -3.458 11.609 2.547 1.00 11.74 O HETATM 2450 O HOH 12 6.295 15.442 30.971 1.00 13.88 O HETATM 2451 O HOH 13 -8.071 19.613 28.989 1.00 25.59 O HETATM 2452 O HOH 14 1.308 -4.703 20.539 1.00 14.72 O HETATM 2453 O HOH 15 4.141 13.861 31.438 1.00 25.95 O HETATM 2454 O HOH 16 7.792 1.725 19.981 1.00 17.04 O HETATM 2455 O HOH 17 -0.819 6.314 17.455 1.00 17.54 O HETATM 2456 O HOH 18 0.644 -0.560 -2.062 1.00 23.47 O HETATM 2457 O HOH 19 -15.597 19.997 10.248 1.00 26.02 O HETATM 2458 O HOH 20 -5.800 17.549 -4.379 1.00 19.75 O HETATM 2459 O HOH 21 0.221 2.650 24.814 1.00 44.14 O HETATM 2460 O HOH 22 -14.804 14.615 5.382 1.00 21.19 O HETATM 2461 O HOH 23 7.922 19.769 6.666 1.00 18.56 O HETATM 2462 O HOH 24 3.914 -3.553 17.793 1.00 18.71 O HETATM 2463 O HOH 25 -3.312 8.751 29.073 1.00 32.35 O HETATM 2464 O HOH 26 -19.139 7.420 24.558 1.00 37.40 O HETATM 2465 O HOH 27 0.394 -3.000 -0.760 1.00 35.42 O HETATM 2466 O HOH 28 8.155 28.098 18.152 1.00 28.38 O HETATM 2467 O HOH 29 3.610 12.877 3.875 1.00 48.30 O HETATM 2468 O HOH 30 6.057 24.459 -0.095 1.00 48.35 O HETATM 2469 O HOH 31 -12.900 10.052 28.885 1.00 29.85 O HETATM 2470 O HOH 32 3.467 15.633 0.757 1.00 38.69 O HETATM 2471 O HOH 33 -1.033 3.586 16.892 1.00 20.29 O HETATM 2472 O HOH 34 10.630 11.304 27.027 1.00 23.67 O HETATM 2473 O HOH 35 -8.079 23.101 20.468 1.00 27.18 O HETATM 2474 O HOH 36 -6.768 9.702 17.729 1.00 9.66 O HETATM 2475 O HOH 37 -11.018 18.575 23.263 1.00 45.34 O HETATM 2476 O HOH 38 13.487 7.434 -2.356 1.00 44.18 O HETATM 2477 O HOH 39 15.155 28.333 6.194 1.00 12.06 O HETATM 2478 O HOH 40 -7.226 -6.544 15.916 1.00 36.75 O HETATM 2479 O HOH 41 -15.163 14.064 21.883 1.00 18.53 O HETATM 2480 O HOH 42 -23.011 10.369 23.413 1.00 28.80 O HETATM 2481 O HOH 43 -9.842 21.253 3.371 1.00 19.14 O HETATM 2482 O HOH 44 -19.951 16.899 11.634 1.00 24.93 O HETATM 2483 O HOH 45 0.995 -7.669 14.165 1.00 20.65 O HETATM 2484 O HOH 46 -20.211 1.225 14.230 1.00 28.90 O HETATM 2485 O HOH 47 -0.603 11.164 19.293 1.00 24.58 O HETATM 2486 O HOH 48 21.809 19.465 8.548 1.00 46.02 O HETATM 2487 O HOH 49 -1.323 21.397 1.274 1.00 47.26 O HETATM 2488 O HOH 50 -6.833 -4.510 21.112 1.00 30.01 O HETATM 2489 O HOH 51 19.110 27.405 15.422 1.00 26.85 O HETATM 2490 O HOH 52 -6.828 24.685 24.891 1.00 23.76 O HETATM 2491 O HOH 53 -11.012 13.499 26.328 1.00 42.10 O HETATM 2492 O HOH 54 14.459 1.682 0.171 1.00 30.35 O HETATM 2493 O HOH 55 -3.320 9.905 4.685 1.00 16.82 O HETATM 2494 O HOH 56 5.091 4.054 -3.137 1.00 18.47 O HETATM 2495 O HOH 57 3.912 27.989 13.567 1.00 13.76 O HETATM 2496 O HOH 58 2.456 -19.815 5.078 1.00 37.27 O HETATM 2497 O HOH 59 3.441 0.924 21.410 1.00 19.33 O HETATM 2498 O HOH 60 -23.188 12.517 10.628 1.00 28.89 O HETATM 2499 O HOH 61 -1.703 14.554 6.908 1.00 44.94 O HETATM 2500 O HOH 62 -11.379 15.274 24.297 1.00 31.12 O HETATM 2501 O HOH 63 -2.568 12.003 23.008 1.00 16.29 O HETATM 2502 O HOH 64 -11.151 8.252 -5.827 1.00 23.96 O HETATM 2503 O HOH 65 -3.614 19.906 3.915 1.00 27.03 O HETATM 2504 O HOH 66 15.437 29.315 13.276 1.00 28.34 O HETATM 2505 O HOH 67 7.314 14.410 -0.104 1.00 51.04 O HETATM 2506 O HOH 68 8.315 24.634 -2.767 1.00 35.21 O HETATM 2507 O HOH 69 14.708 -2.112 10.881 1.00 32.77 O HETATM 2508 O HOH 70 24.278 6.703 14.721 1.00 44.64 O HETATM 2509 O HOH 71 24.223 21.842 12.865 1.00 28.18 O HETATM 2510 O HOH 72 -1.933 -3.034 24.667 1.00 27.82 O HETATM 2511 O HOH 73 -0.167 7.408 20.517 1.00 43.26 O HETATM 2512 O HOH 74 -3.580 29.448 21.807 1.00 25.06 O HETATM 2513 O HOH 75 7.094 19.045 3.936 1.00 34.01 O HETATM 2514 O HOH 76 15.358 17.819 -0.798 1.00 18.14 O HETATM 2515 O HOH 77 5.021 14.827 5.079 1.00 14.85 O HETATM 2516 O HOH 78 -6.021 -10.531 8.427 1.00 43.35 O HETATM 2517 O HOH 79 1.350 -5.105 17.911 1.00 27.94 O HETATM 2518 O HOH 80 -5.102 18.600 2.019 1.00 21.29 O HETATM 2519 O HOH 81 5.403 15.768 10.050 1.00 11.18 O HETATM 2520 O HOH 82 -21.633 7.358 21.436 1.00 35.03 O HETATM 2521 O HOH 83 -0.672 13.717 20.137 1.00 27.50 O HETATM 2522 O HOH 84 3.693 -11.079 9.624 1.00 21.76 O HETATM 2523 O HOH 85 23.229 14.014 23.590 1.00 28.59 O HETATM 2524 O HOH 86 -22.409 7.176 16.663 1.00 18.53 O HETATM 2525 O HOH 87 0.670 16.633 -2.340 1.00 44.16 O HETATM 2526 O HOH 88 5.754 30.223 23.642 1.00 20.55 O HETATM 2527 O HOH 89 6.460 -3.228 -0.872 1.00 21.98 O HETATM 2528 O HOH 90 -0.250 28.975 15.603 1.00 10.54 O HETATM 2529 O HOH 91 13.989 5.721 -0.405 1.00 27.02 O HETATM 2530 O HOH 92 -3.650 15.202 14.491 1.00 20.44 O HETATM 2531 O HOH 93 14.050 -0.506 13.038 1.00 37.76 O HETATM 2532 O HOH 94 5.161 11.540 -0.645 1.00 33.18 O HETATM 2533 O HOH 95 10.679 18.144 -0.129 1.00 25.00 O HETATM 2534 O HOH 96 -17.181 11.804 3.260 1.00 21.06 O HETATM 2535 O HOH 97 25.832 19.945 11.058 1.00 37.15 O HETATM 2536 O HOH 98 -5.721 -7.259 20.467 1.00 25.46 O HETATM 2537 O HOH 99 19.228 21.178 6.959 1.00 18.38 O HETATM 2538 O HOH 100 26.529 15.326 12.130 1.00 19.74 O HETATM 2539 O HOH 101 11.995 9.232 -3.712 1.00 37.12 O HETATM 2540 O HOH 102 -13.186 1.430 19.769 1.00 38.36 O HETATM 2541 O HOH 103 -13.301 18.145 21.889 1.00 19.49 O HETATM 2542 O HOH 104 2.901 10.668 27.526 1.00 32.97 O HETATM 2543 O HOH 105 -8.200 15.689 32.798 1.00 38.50 O HETATM 2544 O HOH 106 21.205 10.635 11.066 1.00 38.59 O HETATM 2545 O HOH 107 -13.399 0.028 14.927 1.00 32.76 O HETATM 2546 O HOH 108 21.535 24.544 24.386 1.00 40.31 O HETATM 2547 O HOH 109 -6.901 -1.087 22.591 1.00 24.78 O HETATM 2548 O HOH 110 5.787 26.442 4.082 1.00 23.10 O HETATM 2549 O HOH 111 18.198 0.337 1.549 1.00 43.77 O HETATM 2550 O HOH 112 20.016 14.560 24.062 1.00 26.61 O HETATM 2551 O HOH 113 18.927 12.088 24.716 1.00 24.12 O HETATM 2552 O HOH 114 13.011 12.959 -3.452 1.00 54.56 O HETATM 2553 O HOH 115 14.122 29.635 16.776 1.00 32.23 O HETATM 2554 O HOH 116 -9.375 2.649 -3.093 1.00 45.70 O HETATM 2555 O HOH 117 16.157 12.231 24.083 1.00 29.69 O HETATM 2556 O HOH 118 -8.381 -2.167 17.370 1.00 27.02 O HETATM 2557 O HOH 119 -22.774 6.139 19.286 1.00 33.58 O HETATM 2558 O HOH 120 17.230 19.431 0.918 1.00 31.40 O HETATM 2559 O HOH 121 7.514 -7.806 11.503 1.00 42.82 O HETATM 2560 O HOH 122 -19.698 19.294 12.917 1.00 54.90 O HETATM 2561 O HOH 123 6.472 17.517 32.760 1.00 37.64 O HETATM 2562 O HOH 124 5.425 -1.554 21.320 1.00 39.63 O HETATM 2563 O HOH 125 -8.847 24.386 23.155 1.00 41.05 O HETATM 2564 O HOH 126 7.376 -2.712 13.487 1.00 30.02 O HETATM 2565 O HOH 127 -14.345 0.930 -1.323 1.00 36.40 O HETATM 2566 O HOH 128 4.755 17.166 3.539 1.00 46.02 O HETATM 2567 O HOH 129 0.665 9.182 25.737 1.00 23.62 O HETATM 2568 O HOH 130 -9.880 23.828 4.303 1.00 33.47 O HETATM 2569 O HOH 131 -1.463 16.334 -4.919 1.00 38.74 O HETATM 2570 O HOH 132 1.202 27.851 13.362 1.00 22.37 O HETATM 2571 O HOH 133 6.431 29.875 17.170 1.00 28.20 O HETATM 2572 O HOH 134 -15.754 12.919 24.293 1.00 46.45 O HETATM 2573 O HOH 135 -7.376 24.265 27.667 1.00 29.80 O HETATM 2574 O HOH 136 3.482 18.449 5.924 1.00 32.41 O HETATM 2575 O HOH 137 3.084 -2.653 20.434 1.00 39.00 O HETATM 2576 O HOH 138 11.573 17.337 -2.951 1.00 29.74 O HETATM 2577 O HOH 139 8.566 34.749 23.881 1.00 36.93 O HETATM 2578 O HOH 140 -5.280 22.010 2.047 1.00 42.05 O HETATM 2579 O HOH 141 1.371 28.673 10.808 1.00 31.44 O HETATM 2580 O HOH 142 3.453 12.035 29.684 1.00 24.71 O HETATM 2581 O HOH 143 -1.654 31.281 22.453 1.00 23.75 O HETATM 2582 O HOH 144 8.888 17.974 2.084 1.00 42.15 O HETATM 2583 O HOH 145 -13.569 14.281 25.752 1.00 34.59 O HETATM 2584 O HOH 146 5.551 27.219 1.640 1.00 24.59 O HETATM 2585 O HOH 147 3.668 -5.893 22.128 1.00 32.53 O HETATM 2586 O HOH 148 -1.541 9.539 24.075 1.00 31.19 O HETATM 2587 O HOH 149 18.807 15.841 2.049 1.00 37.71 O HETATM 2588 O HOH 150 4.971 -6.541 19.844 1.00 36.51 O HETATM 2589 C1 YNU A 151 8.150 17.668 16.750 1.00 0.08 C HETATM 2590 C3 YNU A 151 8.588 19.057 17.196 1.00 0.08 C HETATM 2591 C11 YNU A 151 8.992 19.370 18.649 1.00 -0.02 C HETATM 2592 C6 YNU A 151 8.368 18.398 19.640 1.00 0.01 C HETATM 2593 C8 YNU A 151 8.649 16.921 19.129 1.00 -0.03 C HETATM 2594 C4 YNU A 151 8.025 16.521 17.776 1.00 0.01 C HETATM 2595 C9 YNU A 151 8.443 15.171 17.120 1.00 0.08 C HETATM 2596 C12 YNU A 151 7.564 14.855 15.866 1.00 0.00 C HETATM 2597 C7 YNU A 151 7.486 16.069 14.923 1.00 -0.04 C HETATM 2598 C14 YNU A 151 7.750 15.887 13.618 1.00 0.05 C HETATM 2599 C20 YNU A 151 7.722 17.011 12.651 1.00 0.18 C HETATM 2600 O24 YNU A 151 8.029 16.918 11.492 1.00 -0.34 O HETATM 2601 C26 YNU A 151 7.265 18.349 13.095 1.00 0.02 C HETATM 2602 C18 YNU A 151 7.790 18.562 14.492 1.00 -0.06 C HETATM 2603 C5 YNU A 151 7.302 17.476 15.469 1.00 -0.01 C HETATM 2604 C29 YNU A 151 5.804 17.670 15.777 1.00 -0.09 C HETATM 2605 H28 YNU A 151 5.469 16.889 16.475 1.00 0.01 H HETATM 2606 H29 YNU A 151 5.226 17.600 14.844 1.00 0.01 H HETATM 2607 H30 YNU A 151 5.648 18.659 16.232 1.00 0.01 H HETATM 2608 H22 YNU A 151 8.889 18.545 14.464 1.00 0.02 H HETATM 2609 H23 YNU A 151 7.448 19.543 14.853 1.00 0.02 H HETATM 2610 H26 YNU A 151 6.166 18.390 13.096 1.00 0.05 H HETATM 2611 H27 YNU A 151 7.660 19.124 12.422 1.00 0.05 H HETATM 2612 H8 YNU A 151 7.991 14.887 13.261 1.00 0.13 H HETATM 2613 H6 YNU A 151 8.005 14.006 15.323 1.00 0.05 H HETATM 2614 H7 YNU A 151 6.549 14.591 16.197 1.00 0.05 H HETATM 2615 C15 YNU A 151 9.933 15.091 16.784 1.00 0.24 C HETATM 2616 O28 YNU A 151 10.891 14.900 17.713 1.00 -0.28 O HETATM 2617 C30 YNU A 151 11.996 13.980 17.423 1.00 0.07 C HETATM 2618 H16 YNU A 151 12.680 13.945 18.284 1.00 0.06 H HETATM 2619 H17 YNU A 151 12.542 14.331 16.535 1.00 0.06 H HETATM 2620 H18 YNU A 151 11.595 12.974 17.233 1.00 0.06 H HETATM 2621 O22 YNU A 151 10.294 15.198 15.648 1.00 -0.37 O HETATM 2622 H3 YNU A 151 8.244 14.384 17.862 1.00 0.06 H HETATM 2623 H19 YNU A 151 6.951 16.410 17.988 1.00 0.04 H HETATM 2624 C17 YNU A 151 8.430 16.051 20.376 1.00 -0.05 C HETATM 2625 C19 YNU A 151 9.065 16.890 21.495 1.00 -0.02 C HETATM 2626 C10 YNU A 151 9.036 18.352 21.040 1.00 0.11 C HETATM 2627 C21 YNU A 151 10.476 18.903 21.129 1.00 -0.00 C HETATM 2628 C25 YNU A 151 10.344 20.270 21.846 1.00 0.05 C HETATM 2629 C16 YNU A 151 8.933 20.283 22.325 1.00 0.23 C HETATM 2630 O13 YNU A 151 8.324 19.126 22.021 1.00 -0.27 O HETATM 2631 O23 YNU A 151 8.439 21.200 22.915 1.00 -0.37 O HETATM 2632 H24 YNU A 151 11.046 20.339 22.690 1.00 0.05 H HETATM 2633 H25 YNU A 151 10.529 21.099 21.147 1.00 0.05 H HETATM 2634 H11 YNU A 151 10.902 19.035 20.123 1.00 0.03 H HETATM 2635 H12 YNU A 151 11.114 18.222 21.711 1.00 0.03 H HETATM 2636 H9 YNU A 151 8.490 16.774 22.425 1.00 0.03 H HETATM 2637 H10 YNU A 151 10.103 16.569 21.663 1.00 0.03 H HETATM 2638 H20 YNU A 151 8.935 15.079 20.274 1.00 0.03 H HETATM 2639 H21 YNU A 151 7.358 15.889 20.562 1.00 0.03 H HETATM 2640 H2 YNU A 151 9.729 16.870 18.926 1.00 0.03 H HETATM 2641 C27 YNU A 151 6.859 18.725 19.765 1.00 -0.06 C HETATM 2642 H13 YNU A 151 6.391 18.031 20.479 1.00 0.02 H HETATM 2643 H14 YNU A 151 6.378 18.619 18.781 1.00 0.02 H HETATM 2644 H15 YNU A 151 6.736 19.758 20.124 1.00 0.02 H HETATM 2645 H4 YNU A 151 8.662 20.390 18.897 1.00 0.03 H HETATM 2646 H5 YNU A 151 10.087 19.308 18.734 1.00 0.03 H HETATM 2647 O2 YNU A 151 9.496 18.163 16.542 1.00 -0.38 O HETATM 2648 H1 YNU A 151 8.168 19.948 16.706 1.00 0.06 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 30 31 37 38 39 CONECT 37 30 CONECT 38 30 CONECT 39 30 CONECT 1732 1733 1736 1737 1738 CONECT 1736 1732 CONECT 1737 1732 CONECT 1738 1732 CONECT 2589 2590 2594 2603 2647 CONECT 2590 2589 2591 2647 2648 CONECT 2591 2590 2592 2645 2646 CONECT 2592 2591 2593 2626 2641 CONECT 2593 2592 2594 2624 2640 CONECT 2594 2589 2593 2595 2623 CONECT 2595 2594 2596 2615 2622 CONECT 2596 2595 2597 2613 2614 CONECT 2597 2596 2598 2603 CONECT 2598 2597 2599 2612 CONECT 2599 2598 2600 2601 CONECT 2600 2599 CONECT 2601 2599 2602 2610 2611 CONECT 2602 2601 2603 2608 2609 CONECT 2603 2589 2597 2602 2604 CONECT 2604 2603 2605 2606 2607 CONECT 2605 2604 CONECT 2606 2604 CONECT 2607 2604 CONECT 2608 2602 CONECT 2609 2602 CONECT 2610 2601 CONECT 2611 2601 CONECT 2612 2598 CONECT 2613 2596 CONECT 2614 2596 CONECT 2615 2595 2616 2621 CONECT 2616 2615 2617 CONECT 2617 2616 2618 2619 2620 CONECT 2618 2617 CONECT 2619 2617 CONECT 2620 2617 CONECT 2621 2615 CONECT 2622 2595 CONECT 2623 2594 CONECT 2624 2593 2625 2638 2639 CONECT 2625 2624 2626 2636 2637 CONECT 2626 2592 2625 2627 2630 CONECT 2627 2626 2628 2634 2635 CONECT 2628 2627 2629 2632 2633 CONECT 2629 2628 2630 2631 CONECT 2630 2626 2629 CONECT 2631 2629 CONECT 2632 2628 CONECT 2633 2628 CONECT 2634 2627 CONECT 2635 2627 CONECT 2636 2625 CONECT 2637 2625 CONECT 2638 2624 CONECT 2639 2624 CONECT 2640 2593 CONECT 2641 2592 2642 2643 2644 CONECT 2642 2641 CONECT 2643 2641 CONECT 2644 2641 CONECT 2645 2591 CONECT 2646 2591 CONECT 2647 2589 2590 CONECT 2648 2590 MASTER 0 0 0 0 0 0 0 0 2645 3 72 21 END
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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
5mwy
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Mineralocorticoid receptor
Ligand Name
YNU
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Ki=100nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) PLoS ONE Vol. 13: pp. e0193380-e0193380
Ligand Properties
Formula
C
2
4
H
3
0
O
6
Molecular Weight
414.491
Exact Mass
414.204
No. of atoms
60
No. of bonds
65
Polar Surface Area
82.2
LOGP Value
1.88 (
Computed with XLOGP3
)
3.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 6
Canonical SMILES
COC(=O)[C@@H]1CC2=CC(=O)CC[C@@]2([C@@]23[C@@H]1[C@@H]1CC[C@]4([C@@]1(C)C[C@H]3O2)CCC(=O)O4)C
InChI String
InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P08235
Q15788
Entrez Gene ID
NCBI Entrez Gene ID:
4306
8648
ASD
Information of known allosteric effects of PDB entries
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