Browse entries in the PDBbind-CN Database
HEADER 5MKX_COMPLEX COMPND 5MKX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 ASP GLN LEU TYR SER THR LEU LYS SER ILE LEU GLN GLN SEQRES 2 A 106 VAL LYS SER HIS GLN SER ALA TRP PRO PHE MET GLU PRO SEQRES 3 A 106 VAL LYS ARG THR GLU ALA PRO GLY TYR TYR GLU VAL ILE SEQRES 4 A 106 ARG PHE PRO MET ASP LEU LYS THR MET SER GLU ARG LEU SEQRES 5 A 106 LYS ASN ARG TYR TYR VAL SER LYS LYS LEU PHE MET ALA SEQRES 6 A 106 ASP LEU GLN ARG VAL PHE THR ASN CYS LYS GLU TYR ASN SEQRES 7 A 106 PRO PRO GLU SER GLU TYR TYR LYS CYS ALA ASN ILE LEU SEQRES 8 A 106 GLU LYS PHE PHE PHE SER LYS ILE LYS GLU ALA GLY LEU SEQRES 9 A 106 ILE ASP HET UNN A 288 19 ATOM 1 N ASP A 726 -3.381 34.214 55.868 1.00 64.06 N ATOM 2 CA ASP A 726 -3.150 34.825 54.522 1.00 62.68 C ATOM 3 C ASP A 726 -4.264 34.438 53.547 1.00 59.50 C ATOM 4 O ASP A 726 -4.614 33.262 53.432 1.00 56.28 O ATOM 5 CB ASP A 726 -1.794 34.388 53.967 1.00 64.27 C ATOM 6 CG ASP A 726 -1.406 35.148 52.718 1.00 64.76 C ATOM 7 OD1 ASP A 726 -1.020 36.331 52.834 1.00 66.53 O ATOM 8 OD2 ASP A 726 -1.489 34.560 51.621 1.00 61.38 O ATOM 9 HN3 ASP A 726 -3.402 33.178 55.778 1.00 0.00 H ATOM 10 HN2 ASP A 726 -4.289 34.549 56.248 1.00 0.00 H ATOM 11 HN1 ASP A 726 -2.612 34.492 56.510 1.00 0.00 H ATOM 12 N GLN A 727 -4.809 35.428 52.842 1.00 56.46 N ATOM 13 CA GLN A 727 -5.975 35.210 51.985 1.00 55.57 C ATOM 14 C GLN A 727 -5.614 34.559 50.639 1.00 47.78 C ATOM 15 O GLN A 727 -6.424 33.821 50.081 1.00 45.62 O ATOM 16 CB GLN A 727 -6.761 36.517 51.787 1.00 61.51 C ATOM 17 CG GLN A 727 -6.177 37.476 50.760 1.00 66.83 C ATOM 18 CD GLN A 727 -6.714 38.899 50.872 1.00 74.20 C ATOM 19 OE1 GLN A 727 -7.417 39.249 51.826 1.00 74.07 O ATOM 20 NE2 GLN A 727 -6.373 39.732 49.891 1.00 76.32 N ATOM 21 HE22 GLN A 727 -5.779 39.396 49.106 1.00 0.00 H ATOM 22 HE21 GLN A 727 -6.700 40.719 49.910 1.00 0.00 H ATOM 23 H GLN A 727 -4.395 36.380 52.902 1.00 0.00 H ATOM 24 N LEU A 728 -4.415 34.830 50.122 1.00 43.76 N ATOM 25 CA LEU A 728 -3.954 34.178 48.887 1.00 41.61 C ATOM 26 C LEU A 728 -3.877 32.665 49.082 1.00 39.49 C ATOM 27 O LEU A 728 -4.396 31.900 48.268 1.00 37.82 O ATOM 28 CB LEU A 728 -2.591 34.716 48.435 1.00 41.95 C ATOM 29 CG LEU A 728 -1.979 34.037 47.201 1.00 39.61 C ATOM 30 CD1 LEU A 728 -2.858 34.243 45.978 1.00 39.76 C ATOM 31 CD2 LEU A 728 -0.570 34.544 46.945 1.00 38.87 C ATOM 32 H LEU A 728 -3.795 35.514 50.601 1.00 0.00 H ATOM 33 N TYR A 729 -3.231 32.248 50.165 1.00 38.52 N ATOM 34 CA TYR A 729 -3.124 30.833 50.508 1.00 37.40 C ATOM 35 C TYR A 729 -4.492 30.162 50.560 1.00 36.13 C ATOM 36 O TYR A 729 -4.675 29.076 50.009 1.00 33.66 O ATOM 37 CB TYR A 729 -2.417 30.664 51.853 1.00 37.38 C ATOM 38 CG TYR A 729 -2.391 29.243 52.370 1.00 37.62 C ATOM 39 CD1 TYR A 729 -3.409 28.760 53.182 1.00 38.06 C ATOM 40 CD2 TYR A 729 -1.344 28.385 52.054 1.00 38.34 C ATOM 41 CE1 TYR A 729 -3.389 27.461 53.661 1.00 40.11 C ATOM 42 CE2 TYR A 729 -1.317 27.090 52.530 1.00 38.68 C ATOM 43 CZ TYR A 729 -2.341 26.633 53.332 1.00 40.03 C ATOM 44 OH TYR A 729 -2.311 25.344 53.810 1.00 42.63 O ATOM 45 HH TYR A 729 -3.115 25.180 54.364 1.00 0.00 H ATOM 46 H TYR A 729 -2.787 32.952 50.789 1.00 0.00 H ATOM 47 N SER A 730 -5.449 30.811 51.223 1.00 34.06 N ATOM 48 CA SER A 730 -6.788 30.250 51.369 1.00 34.34 C ATOM 49 C SER A 730 -7.490 30.117 50.021 1.00 31.53 C ATOM 50 O SER A 730 -8.178 29.127 49.777 1.00 31.27 O ATOM 51 CB SER A 730 -7.631 31.109 52.315 1.00 38.07 C ATOM 52 OG SER A 730 -7.047 31.144 53.605 1.00 41.07 O ATOM 53 HG SER A 730 -6.137 31.530 53.544 1.00 0.00 H ATOM 54 H SER A 730 -5.237 31.737 51.645 1.00 0.00 H ATOM 55 N THR A 731 -7.309 31.111 49.153 1.00 31.30 N ATOM 56 CA THR A 731 -7.910 31.091 47.821 1.00 30.58 C ATOM 57 C THR A 731 -7.274 30.007 46.946 1.00 29.23 C ATOM 58 O THR A 731 -7.982 29.258 46.275 1.00 28.64 O ATOM 59 CB THR A 731 -7.756 32.450 47.116 1.00 32.76 C ATOM 60 OG1 THR A 731 -8.446 33.456 47.872 1.00 34.13 O ATOM 61 CG2 THR A 731 -8.328 32.402 45.714 1.00 32.76 C ATOM 62 HG1 THR A 731 -8.058 33.508 48.781 1.00 0.00 H ATOM 63 H THR A 731 -6.723 31.924 49.431 1.00 0.00 H ATOM 64 N LEU A 732 -5.947 29.940 46.952 1.00 29.48 N ATOM 65 CA LEU A 732 -5.237 28.925 46.158 1.00 28.76 C ATOM 66 C LEU A 732 -5.537 27.508 46.653 1.00 28.47 C ATOM 67 O LEU A 732 -5.648 26.580 45.849 1.00 26.07 O ATOM 68 CB LEU A 732 -3.732 29.185 46.164 1.00 29.41 C ATOM 69 CG LEU A 732 -3.262 30.487 45.512 1.00 29.95 C ATOM 70 CD1 LEU A 732 -1.740 30.539 45.523 1.00 30.35 C ATOM 71 CD2 LEU A 732 -3.797 30.647 44.096 1.00 30.43 C ATOM 72 H LEU A 732 -5.402 30.615 47.526 1.00 0.00 H ATOM 73 N LYS A 733 -5.654 27.339 47.968 1.00 27.61 N ATOM 74 CA LYS A 733 -6.008 26.042 48.554 1.00 29.39 C ATOM 75 C LYS A 733 -7.382 25.594 48.080 1.00 29.13 C ATOM 76 O LYS A 733 -7.580 24.434 47.726 1.00 27.38 O ATOM 77 CB LYS A 733 -5.989 26.119 50.077 1.00 32.28 C ATOM 78 CG LYS A 733 -6.215 24.790 50.773 1.00 35.93 C ATOM 79 CD LYS A 733 -6.080 24.937 52.277 1.00 40.70 C ATOM 80 CE LYS A 733 -6.509 23.666 52.989 1.00 45.59 C ATOM 81 NZ LYS A 733 -6.598 23.860 54.463 1.00 49.16 N ATOM 82 HZ1 LYS A 733 -5.667 24.143 54.831 1.00 0.00 H ATOM 83 HZ2 LYS A 733 -7.295 24.603 54.672 1.00 0.00 H ATOM 84 HZ3 LYS A 733 -6.894 22.969 54.911 1.00 0.00 H ATOM 85 H LYS A 733 -5.490 28.150 48.598 1.00 0.00 H ATOM 86 N SER A 734 -8.330 26.524 48.084 1.00 27.46 N ATOM 87 CA SER A 734 -9.667 26.257 47.587 1.00 26.52 C ATOM 88 C SER A 734 -9.652 25.836 46.111 1.00 25.56 C ATOM 89 O SER A 734 -10.243 24.826 45.751 1.00 26.53 O ATOM 90 CB SER A 734 -10.544 27.496 47.751 1.00 27.97 C ATOM 91 OG SER A 734 -11.782 27.303 47.109 1.00 30.53 O ATOM 92 HG SER A 734 -12.341 28.112 47.222 1.00 0.00 H ATOM 93 H SER A 734 -8.108 27.470 48.454 1.00 0.00 H ATOM 94 N ILE A 735 -8.969 26.610 45.275 1.00 25.43 N ATOM 95 CA ILE A 735 -8.922 26.344 43.837 1.00 24.94 C ATOM 96 C ILE A 735 -8.267 24.980 43.588 1.00 23.48 C ATOM 97 O ILE A 735 -8.811 24.142 42.858 1.00 22.20 O ATOM 98 CB ILE A 735 -8.166 27.451 43.075 1.00 26.14 C ATOM 99 CG1 ILE A 735 -8.954 28.766 43.162 1.00 27.80 C ATOM 100 CG2 ILE A 735 -7.965 27.063 41.615 1.00 26.73 C ATOM 101 CD1 ILE A 735 -8.133 29.985 42.810 1.00 28.93 C ATOM 102 H ILE A 735 -8.452 27.429 45.654 1.00 0.00 H ATOM 103 N LEU A 736 -7.123 24.758 44.219 1.00 22.96 N ATOM 104 CA LEU A 736 -6.403 23.489 44.032 1.00 22.03 C ATOM 105 C LEU A 736 -7.241 22.265 44.436 1.00 21.47 C ATOM 106 O LEU A 736 -7.254 21.257 43.727 1.00 22.06 O ATOM 107 CB LEU A 736 -5.077 23.499 44.788 1.00 22.38 C ATOM 108 CG LEU A 736 -4.169 22.281 44.549 1.00 23.94 C ATOM 109 CD1 LEU A 736 -3.892 22.041 43.070 1.00 24.92 C ATOM 110 CD2 LEU A 736 -2.869 22.452 45.310 1.00 24.13 C ATOM 111 H LEU A 736 -6.732 25.486 44.851 1.00 0.00 H ATOM 112 N GLN A 737 -7.959 22.344 45.557 1.00 21.59 N ATOM 113 CA GLN A 737 -8.773 21.212 46.011 1.00 22.28 C ATOM 114 C GLN A 737 -9.968 20.993 45.091 1.00 22.23 C ATOM 115 O GLN A 737 -10.369 19.857 44.843 1.00 22.85 O ATOM 116 CB GLN A 737 -9.250 21.399 47.455 1.00 22.64 C ATOM 117 CG GLN A 737 -9.996 20.192 48.011 1.00 22.65 C ATOM 118 CD GLN A 737 -9.172 18.921 47.991 1.00 23.03 C ATOM 119 OE1 GLN A 737 -8.175 18.803 48.707 1.00 24.90 O ATOM 120 NE2 GLN A 737 -9.595 17.954 47.181 1.00 21.76 N ATOM 121 HE22 GLN A 737 -10.442 18.100 46.595 1.00 0.00 H ATOM 122 HE21 GLN A 737 -9.079 17.052 47.134 1.00 0.00 H ATOM 123 H GLN A 737 -7.941 23.220 46.117 1.00 0.00 H ATOM 124 N GLN A 738 -10.546 22.080 44.574 1.00 22.08 N ATOM 125 CA GLN A 738 -11.622 21.948 43.602 1.00 22.11 C ATOM 126 C GLN A 738 -11.136 21.257 42.326 1.00 21.72 C ATOM 127 O GLN A 738 -11.822 20.404 41.772 1.00 21.72 O ATOM 128 CB GLN A 738 -12.235 23.315 43.280 1.00 24.45 C ATOM 129 CG GLN A 738 -12.962 23.891 44.486 1.00 25.73 C ATOM 130 CD GLN A 738 -13.788 25.124 44.196 1.00 28.41 C ATOM 131 OE1 GLN A 738 -13.517 26.203 44.727 1.00 32.99 O ATOM 132 NE2 GLN A 738 -14.823 24.965 43.400 1.00 28.84 N ATOM 133 HE22 GLN A 738 -15.013 24.036 42.974 1.00 0.00 H ATOM 134 HE21 GLN A 738 -15.451 25.769 43.197 1.00 0.00 H ATOM 135 H GLN A 738 -10.226 23.025 44.867 1.00 0.00 H ATOM 136 N VAL A 739 -9.948 21.636 41.872 1.00 21.42 N ATOM 137 CA VAL A 739 -9.325 20.979 40.716 1.00 21.09 C ATOM 138 C VAL A 739 -9.092 19.485 41.012 1.00 20.88 C ATOM 139 O VAL A 739 -9.476 18.617 40.215 1.00 20.96 O ATOM 140 CB VAL A 739 -8.020 21.692 40.295 1.00 21.75 C ATOM 141 CG1 VAL A 739 -7.266 20.896 39.235 1.00 20.82 C ATOM 142 CG2 VAL A 739 -8.323 23.093 39.776 1.00 21.88 C ATOM 143 H VAL A 739 -9.447 22.415 42.345 1.00 0.00 H ATOM 144 N LYS A 740 -8.508 19.187 42.169 1.00 21.98 N ATOM 145 CA LYS A 740 -8.204 17.802 42.540 1.00 23.02 C ATOM 146 C LYS A 740 -9.440 16.913 42.675 1.00 23.37 C ATOM 147 O LYS A 740 -9.374 15.709 42.433 1.00 23.24 O ATOM 148 CB LYS A 740 -7.401 17.758 43.841 1.00 24.25 C ATOM 149 CG LYS A 740 -5.961 18.211 43.684 1.00 26.37 C ATOM 150 CD LYS A 740 -5.281 18.399 45.025 1.00 30.77 C ATOM 151 CE LYS A 740 -4.943 17.075 45.680 1.00 34.49 C ATOM 152 NZ LYS A 740 -4.403 17.293 47.052 1.00 38.74 N ATOM 153 HZ1 LYS A 740 -3.541 17.872 46.996 1.00 0.00 H ATOM 154 HZ2 LYS A 740 -5.115 17.784 47.630 1.00 0.00 H ATOM 155 HZ3 LYS A 740 -4.177 16.374 47.484 1.00 0.00 H ATOM 156 H LYS A 740 -8.261 19.955 42.826 1.00 0.00 H ATOM 157 N SER A 741 -10.567 17.497 43.083 1.00 21.53 N ATOM 158 CA SER A 741 -11.809 16.748 43.216 1.00 23.05 C ATOM 159 C SER A 741 -12.546 16.545 41.900 1.00 21.88 C ATOM 160 O SER A 741 -13.502 15.789 41.845 1.00 22.81 O ATOM 161 CB SER A 741 -12.754 17.451 44.201 1.00 24.46 C ATOM 162 OG SER A 741 -12.196 17.440 45.508 1.00 27.75 O ATOM 163 HG SER A 741 -12.060 16.504 45.800 1.00 0.00 H ATOM 164 H SER A 741 -10.559 18.512 43.312 1.00 0.00 H ATOM 165 N HIS A 742 -12.112 17.224 40.840 1.00 21.08 N ATOM 166 CA HIS A 742 -12.763 17.116 39.538 1.00 21.10 C ATOM 167 C HIS A 742 -12.614 15.709 38.945 1.00 22.22 C ATOM 168 O HIS A 742 -11.573 15.071 39.127 1.00 21.33 O ATOM 169 CB HIS A 742 -12.176 18.151 38.573 1.00 20.84 C ATOM 170 CG HIS A 742 -13.035 18.418 37.388 1.00 21.87 C ATOM 171 ND1 HIS A 742 -13.041 17.611 36.276 1.00 21.84 N ATOM 172 CD2 HIS A 742 -13.931 19.402 37.140 1.00 23.15 C ATOM 173 CE1 HIS A 742 -13.901 18.081 35.393 1.00 22.80 C ATOM 174 NE2 HIS A 742 -14.455 19.169 35.894 1.00 23.01 N ATOM 175 H HIS A 742 -11.287 17.848 40.943 1.00 0.00 H ATOM 176 N GLN A 743 -13.645 15.235 38.241 1.00 24.14 N ATOM 177 CA GLN A 743 -13.615 13.890 37.642 1.00 26.75 C ATOM 178 C GLN A 743 -12.494 13.674 36.614 1.00 25.03 C ATOM 179 O GLN A 743 -12.060 12.552 36.410 1.00 25.89 O ATOM 180 CB GLN A 743 -14.963 13.534 36.998 1.00 32.31 C ATOM 181 CG GLN A 743 -16.123 13.389 37.980 1.00 37.71 C ATOM 182 CD GLN A 743 -15.783 12.564 39.218 1.00 46.22 C ATOM 183 OE1 GLN A 743 -15.802 11.331 39.181 1.00 54.04 O ATOM 184 NE2 GLN A 743 -15.484 13.244 40.327 1.00 51.18 N ATOM 185 HE22 GLN A 743 -15.480 14.284 40.314 1.00 0.00 H ATOM 186 HE21 GLN A 743 -15.255 12.734 41.204 1.00 0.00 H ATOM 187 H GLN A 743 -14.489 15.829 38.113 1.00 0.00 H ATOM 188 N SER A 744 -12.038 14.744 35.974 1.00 22.59 N ATOM 189 CA SER A 744 -10.959 14.677 34.971 1.00 22.10 C ATOM 190 C SER A 744 -9.551 14.894 35.532 1.00 20.67 C ATOM 191 O SER A 744 -8.576 14.950 34.774 1.00 19.66 O ATOM 192 CB SER A 744 -11.244 15.676 33.851 1.00 24.01 C ATOM 193 OG SER A 744 -12.457 15.324 33.207 1.00 26.63 O ATOM 194 HG SER A 744 -12.375 14.413 32.827 1.00 0.00 H ATOM 195 H SER A 744 -12.460 15.670 36.189 1.00 0.00 H ATOM 196 N ALA A 745 -9.432 15.007 36.851 1.00 19.78 N ATOM 197 CA ALA A 745 -8.140 15.256 37.478 1.00 18.97 C ATOM 198 C ALA A 745 -7.331 13.990 37.700 1.00 18.73 C ATOM 199 O ALA A 745 -6.142 14.073 37.978 1.00 19.23 O ATOM 200 CB ALA A 745 -8.331 15.980 38.794 1.00 19.55 C ATOM 201 H ALA A 745 -10.279 14.916 37.448 1.00 0.00 H ATOM 202 N TRP A 746 -7.969 12.828 37.594 1.00 18.53 N ATOM 203 CA TRP A 746 -7.310 11.577 37.989 1.00 20.08 C ATOM 204 C TRP A 746 -5.948 11.335 37.324 1.00 18.85 C ATOM 205 O TRP A 746 -5.045 10.829 37.987 1.00 19.56 O ATOM 206 CB TRP A 746 -8.238 10.380 37.818 1.00 19.85 C ATOM 207 CG TRP A 746 -8.558 10.040 36.419 1.00 20.09 C ATOM 208 CD1 TRP A 746 -9.651 10.439 35.706 1.00 19.86 C ATOM 209 CD2 TRP A 746 -7.777 9.230 35.542 1.00 19.58 C ATOM 210 NE1 TRP A 746 -9.594 9.934 34.435 1.00 20.79 N ATOM 211 CE2 TRP A 746 -8.455 9.184 34.307 1.00 20.03 C ATOM 212 CE3 TRP A 746 -6.559 8.545 35.676 1.00 20.34 C ATOM 213 CZ2 TRP A 746 -7.968 8.471 33.218 1.00 19.97 C ATOM 214 CZ3 TRP A 746 -6.078 7.837 34.593 1.00 21.04 C ATOM 215 CH2 TRP A 746 -6.782 7.806 33.379 1.00 20.88 C ATOM 216 HE1 TRP A 746 -10.300 10.094 33.688 1.00 0.00 H ATOM 217 H TRP A 746 -8.942 12.805 37.228 1.00 0.00 H ATOM 218 N PRO A 747 -5.763 11.708 36.034 1.00 18.22 N ATOM 219 CA PRO A 747 -4.410 11.419 35.520 1.00 17.77 C ATOM 220 C PRO A 747 -3.285 12.231 36.165 1.00 18.14 C ATOM 221 O PRO A 747 -2.117 11.860 36.058 1.00 17.72 O ATOM 222 CB PRO A 747 -4.509 11.803 34.026 1.00 17.51 C ATOM 223 CG PRO A 747 -5.970 11.776 33.711 1.00 17.20 C ATOM 224 CD PRO A 747 -6.619 12.284 34.977 1.00 17.75 C ATOM 225 N PHE A 748 -3.639 13.341 36.805 1.00 17.49 N ATOM 226 CA PHE A 748 -2.682 14.341 37.255 1.00 17.72 C ATOM 227 C PHE A 748 -2.478 14.362 38.767 1.00 18.54 C ATOM 228 O PHE A 748 -1.785 15.233 39.287 1.00 18.95 O ATOM 229 CB PHE A 748 -3.163 15.716 36.765 1.00 17.67 C ATOM 230 CG PHE A 748 -3.563 15.707 35.326 1.00 17.60 C ATOM 231 CD1 PHE A 748 -2.605 15.462 34.343 1.00 17.12 C ATOM 232 CD2 PHE A 748 -4.885 15.864 34.950 1.00 17.51 C ATOM 233 CE1 PHE A 748 -2.965 15.422 33.016 1.00 17.29 C ATOM 234 CE2 PHE A 748 -5.252 15.819 33.618 1.00 17.29 C ATOM 235 CZ PHE A 748 -4.283 15.590 32.654 1.00 16.88 C ATOM 236 H PHE A 748 -4.649 13.503 36.993 1.00 0.00 H ATOM 237 N MET A 749 -3.038 13.378 39.465 1.00 18.74 N ATOM 238 CA MET A 749 -3.041 13.379 40.931 1.00 21.05 C ATOM 239 C MET A 749 -1.681 13.130 41.575 1.00 21.57 C ATOM 240 O MET A 749 -1.413 13.648 42.643 1.00 22.23 O ATOM 241 CB MET A 749 -4.075 12.383 41.466 1.00 23.40 C ATOM 242 CG MET A 749 -5.519 12.800 41.204 1.00 27.69 C ATOM 243 SD MET A 749 -5.947 14.312 42.098 1.00 31.27 S ATOM 244 CE MET A 749 -6.062 13.691 43.768 1.00 30.96 C ATOM 245 H MET A 749 -3.485 12.588 38.958 1.00 0.00 H ATOM 246 N GLU A 750 -0.830 12.346 40.913 1.00 21.51 N ATOM 247 CA GLU A 750 0.487 11.988 41.431 1.00 22.60 C ATOM 248 C GLU A 750 1.485 12.087 40.283 1.00 21.25 C ATOM 249 O GLU A 750 1.085 12.091 39.125 1.00 19.70 O ATOM 250 CB GLU A 750 0.480 10.546 41.966 1.00 25.38 C ATOM 251 CG GLU A 750 -0.563 10.251 43.037 1.00 28.57 C ATOM 252 CD GLU A 750 -0.605 8.779 43.418 1.00 31.99 C ATOM 253 OE1 GLU A 750 -0.787 7.926 42.519 1.00 33.53 O ATOM 254 OE2 GLU A 750 -0.458 8.471 44.620 1.00 32.80 O ATOM 255 H GLU A 750 -1.117 11.973 39.986 1.00 0.00 H ATOM 256 N PRO A 751 2.788 12.145 40.593 1.00 20.44 N ATOM 257 CA PRO A 751 3.725 12.118 39.467 1.00 20.16 C ATOM 258 C PRO A 751 3.483 10.905 38.562 1.00 19.18 C ATOM 259 O PRO A 751 3.165 9.829 39.049 1.00 20.08 O ATOM 260 CB PRO A 751 5.076 12.002 40.150 1.00 21.51 C ATOM 261 CG PRO A 751 4.868 12.673 41.489 1.00 22.51 C ATOM 262 CD PRO A 751 3.493 12.218 41.888 1.00 22.04 C ATOM 263 N VAL A 752 3.632 11.099 37.255 1.00 18.63 N ATOM 264 CA VAL A 752 3.508 10.023 36.287 1.00 18.53 C ATOM 265 C VAL A 752 4.489 8.919 36.701 1.00 19.44 C ATOM 266 O VAL A 752 5.641 9.195 37.010 1.00 19.81 O ATOM 267 CB VAL A 752 3.798 10.523 34.853 1.00 19.00 C ATOM 268 CG1 VAL A 752 3.787 9.369 33.873 1.00 19.83 C ATOM 269 CG2 VAL A 752 2.767 11.572 34.443 1.00 19.39 C ATOM 270 H VAL A 752 3.845 12.058 36.913 1.00 0.00 H ATOM 271 N LYS A 753 4.018 7.683 36.769 1.00 19.94 N ATOM 272 CA LYS A 753 4.899 6.578 37.145 1.00 21.18 C ATOM 273 C LYS A 753 5.684 6.112 35.926 1.00 21.81 C ATOM 274 O LYS A 753 5.168 6.099 34.812 1.00 22.62 O ATOM 275 CB LYS A 753 4.113 5.422 37.738 1.00 23.62 C ATOM 276 CG LYS A 753 3.392 5.758 39.036 1.00 26.06 C ATOM 277 CD LYS A 753 2.519 4.602 39.499 1.00 29.63 C ATOM 278 CE LYS A 753 2.073 4.776 40.944 1.00 34.08 C ATOM 279 NZ LYS A 753 1.490 6.123 41.206 1.00 37.09 N ATOM 280 HZ1 LYS A 753 2.201 6.853 41.001 1.00 0.00 H ATOM 281 HZ2 LYS A 753 0.660 6.265 40.596 1.00 0.00 H ATOM 282 HZ3 LYS A 753 1.203 6.187 42.204 1.00 0.00 H ATOM 283 H LYS A 753 3.017 7.498 36.554 1.00 0.00 H ATOM 284 N ARG A 754 6.937 5.733 36.138 1.00 22.23 N ATOM 285 CA ARG A 754 7.727 5.174 35.044 1.00 24.05 C ATOM 286 C ARG A 754 7.029 3.955 34.436 1.00 23.10 C ATOM 287 O ARG A 754 7.046 3.775 33.227 1.00 22.74 O ATOM 288 CB ARG A 754 9.151 4.836 35.508 1.00 26.59 C ATOM 289 CG ARG A 754 10.018 6.055 35.804 1.00 31.35 C ATOM 290 CD ARG A 754 11.338 5.660 36.455 1.00 35.01 C ATOM 291 NE ARG A 754 12.166 6.811 36.830 1.00 44.31 N ATOM 292 CZ ARG A 754 12.899 7.538 35.982 1.00 48.28 C ATOM 293 NH1 ARG A 754 13.615 8.563 36.432 1.00 50.24 N ATOM 294 NH2 ARG A 754 12.923 7.256 34.682 1.00 52.86 N ATOM 295 HE ARG A 754 12.184 7.082 37.834 1.00 0.00 H ATOM 296 HH12 ARG A 754 14.185 9.129 35.772 1.00 0.00 H ATOM 297 HH11 ARG A 754 13.605 8.800 37.445 1.00 0.00 H ATOM 298 HH22 ARG A 754 13.499 7.832 34.035 1.00 0.00 H ATOM 299 HH21 ARG A 754 12.366 6.460 34.312 1.00 0.00 H ATOM 300 H ARG A 754 7.357 5.834 37.084 1.00 0.00 H ATOM 301 N THR A 755 6.385 3.134 35.264 1.00 23.27 N ATOM 302 CA THR A 755 5.675 1.969 34.763 1.00 24.13 C ATOM 303 C THR A 755 4.461 2.350 33.895 1.00 25.18 C ATOM 304 O THR A 755 4.050 1.576 33.027 1.00 27.13 O ATOM 305 CB THR A 755 5.238 1.026 35.904 1.00 24.18 C ATOM 306 OG1 THR A 755 4.530 1.757 36.905 1.00 23.78 O ATOM 307 CG2 THR A 755 6.443 0.350 36.535 1.00 24.44 C ATOM 308 HG1 THR A 755 3.727 2.173 36.502 1.00 0.00 H ATOM 309 H THR A 755 6.390 3.330 36.285 1.00 0.00 H ATOM 310 N GLU A 756 3.890 3.533 34.135 1.00 23.87 N ATOM 311 CA GLU A 756 2.780 4.054 33.324 1.00 25.20 C ATOM 312 C GLU A 756 3.252 4.639 32.000 1.00 24.64 C ATOM 313 O GLU A 756 2.493 4.692 31.029 1.00 27.19 O ATOM 314 CB GLU A 756 2.014 5.143 34.098 1.00 24.59 C ATOM 315 CG GLU A 756 1.216 4.579 35.258 1.00 24.60 C ATOM 316 CD GLU A 756 0.763 5.614 36.271 1.00 25.02 C ATOM 317 OE1 GLU A 756 1.252 6.774 36.264 1.00 23.89 O ATOM 318 OE2 GLU A 756 -0.074 5.237 37.108 1.00 26.61 O ATOM 319 H GLU A 756 4.244 4.108 34.926 1.00 0.00 H ATOM 320 N ALA A 757 4.496 5.101 31.973 1.00 23.09 N ATOM 321 CA ALA A 757 5.059 5.738 30.797 1.00 22.99 C ATOM 322 C ALA A 757 6.580 5.590 30.815 1.00 23.11 C ATOM 323 O ALA A 757 7.296 6.530 31.152 1.00 21.94 O ATOM 324 CB ALA A 757 4.649 7.201 30.770 1.00 23.84 C ATOM 325 H ALA A 757 5.087 5.003 32.823 1.00 0.00 H ATOM 326 N PRO A 758 7.084 4.390 30.467 1.00 23.93 N ATOM 327 CA PRO A 758 8.539 4.192 30.507 1.00 25.19 C ATOM 328 C PRO A 758 9.259 5.231 29.647 1.00 27.36 C ATOM 329 O PRO A 758 8.875 5.444 28.500 1.00 29.65 O ATOM 330 CB PRO A 758 8.712 2.770 29.943 1.00 24.20 C ATOM 331 CG PRO A 758 7.404 2.102 30.208 1.00 24.82 C ATOM 332 CD PRO A 758 6.374 3.176 30.031 1.00 25.00 C ATOM 333 N GLY A 759 10.256 5.903 30.206 1.00 29.14 N ATOM 334 CA GLY A 759 10.998 6.940 29.468 1.00 30.95 C ATOM 335 C GLY A 759 10.382 8.338 29.464 1.00 31.00 C ATOM 336 O GLY A 759 10.900 9.250 28.810 1.00 31.70 O ATOM 337 H GLY A 759 10.521 5.693 31.190 1.00 0.00 H ATOM 338 N TYR A 760 9.283 8.517 30.195 1.00 26.96 N ATOM 339 CA TYR A 760 8.653 9.834 30.354 1.00 25.04 C ATOM 340 C TYR A 760 9.648 10.892 30.831 1.00 26.35 C ATOM 341 O TYR A 760 9.654 12.016 30.330 1.00 26.59 O ATOM 342 CB TYR A 760 7.479 9.711 31.340 1.00 23.35 C ATOM 343 CG TYR A 760 6.657 10.969 31.562 1.00 22.00 C ATOM 344 CD1 TYR A 760 5.542 11.231 30.779 1.00 21.86 C ATOM 345 CD2 TYR A 760 6.972 11.868 32.577 1.00 21.72 C ATOM 346 CE1 TYR A 760 4.774 12.374 30.980 1.00 21.52 C ATOM 347 CE2 TYR A 760 6.203 13.008 32.792 1.00 20.92 C ATOM 348 CZ TYR A 760 5.098 13.248 31.995 1.00 21.12 C ATOM 349 OH TYR A 760 4.322 14.378 32.190 1.00 20.55 O ATOM 350 HH TYR A 760 3.580 14.385 31.534 1.00 0.00 H ATOM 351 H TYR A 760 8.856 7.696 30.670 1.00 0.00 H ATOM 352 N TYR A 761 10.507 10.515 31.775 1.00 26.16 N ATOM 353 CA TYR A 761 11.402 11.453 32.435 1.00 27.79 C ATOM 354 C TYR A 761 12.666 11.758 31.622 1.00 31.79 C ATOM 355 O TYR A 761 13.441 12.635 31.992 1.00 35.70 O ATOM 356 CB TYR A 761 11.700 10.956 33.853 1.00 26.58 C ATOM 357 CG TYR A 761 10.434 11.033 34.678 1.00 24.44 C ATOM 358 CD1 TYR A 761 10.066 12.228 35.272 1.00 24.00 C ATOM 359 CD2 TYR A 761 9.573 9.937 34.797 1.00 23.33 C ATOM 360 CE1 TYR A 761 8.889 12.340 35.980 1.00 22.25 C ATOM 361 CE2 TYR A 761 8.393 10.034 35.521 1.00 21.58 C ATOM 362 CZ TYR A 761 8.065 11.242 36.109 1.00 21.18 C ATOM 363 OH TYR A 761 6.902 11.382 36.821 1.00 21.35 O ATOM 364 HH TYR A 761 6.902 10.746 37.580 1.00 0.00 H ATOM 365 H TYR A 761 10.540 9.513 32.051 1.00 0.00 H ATOM 366 N GLU A 762 12.833 11.063 30.501 1.00 36.21 N ATOM 367 CA GLU A 762 13.863 11.405 29.512 1.00 42.11 C ATOM 368 C GLU A 762 13.321 12.472 28.550 1.00 41.46 C ATOM 369 O GLU A 762 14.098 13.183 27.911 1.00 43.51 O ATOM 370 CB GLU A 762 14.312 10.171 28.706 1.00 45.57 C ATOM 371 CG GLU A 762 14.350 8.836 29.455 1.00 51.02 C ATOM 372 CD GLU A 762 15.126 8.889 30.760 1.00 56.93 C ATOM 373 OE1 GLU A 762 16.355 9.115 30.717 1.00 60.49 O ATOM 374 OE2 GLU A 762 14.504 8.689 31.829 1.00 58.31 O ATOM 375 H GLU A 762 12.212 10.249 30.318 1.00 0.00 H ATOM 376 N VAL A 763 11.992 12.583 28.463 1.00 35.66 N ATOM 377 CA VAL A 763 11.307 13.488 27.532 1.00 34.37 C ATOM 378 C VAL A 763 10.833 14.789 28.204 1.00 34.13 C ATOM 379 O VAL A 763 11.013 15.885 27.666 1.00 32.14 O ATOM 380 CB VAL A 763 10.083 12.778 26.907 1.00 37.56 C ATOM 381 CG1 VAL A 763 9.252 13.735 26.060 1.00 37.28 C ATOM 382 CG2 VAL A 763 10.528 11.571 26.090 1.00 39.18 C ATOM 383 H VAL A 763 11.409 11.994 29.091 1.00 0.00 H ATOM 384 N ILE A 764 10.214 14.661 29.374 1.00 29.58 N ATOM 385 CA ILE A 764 9.577 15.790 30.048 1.00 28.90 C ATOM 386 C ILE A 764 10.540 16.394 31.076 1.00 30.96 C ATOM 387 O ILE A 764 10.807 15.793 32.111 1.00 30.21 O ATOM 388 CB ILE A 764 8.247 15.333 30.696 1.00 27.78 C ATOM 389 CG1 ILE A 764 7.254 14.884 29.610 1.00 27.78 C ATOM 390 CG2 ILE A 764 7.640 16.421 31.567 1.00 28.55 C ATOM 391 CD1 ILE A 764 6.782 15.965 28.655 1.00 27.82 C ATOM 392 H ILE A 764 10.182 13.724 29.825 1.00 0.00 H ATOM 393 N ARG A 765 11.043 17.589 30.781 1.00 30.87 N ATOM 394 CA ARG A 765 12.095 18.217 31.581 1.00 32.46 C ATOM 395 C ARG A 765 11.611 18.733 32.938 1.00 31.09 C ATOM 396 O ARG A 765 12.362 18.704 33.914 1.00 31.44 O ATOM 397 CB ARG A 765 12.729 19.367 30.789 1.00 34.37 C ATOM 398 CG ARG A 765 13.878 20.067 31.502 1.00 35.70 C ATOM 399 CD ARG A 765 14.515 21.131 30.618 1.00 37.69 C ATOM 400 NE ARG A 765 15.120 20.565 29.419 1.00 39.16 N ATOM 401 CZ ARG A 765 16.353 20.075 29.369 1.00 39.73 C ATOM 402 NH1 ARG A 765 17.113 20.081 30.454 1.00 39.69 N ATOM 403 NH2 ARG A 765 16.826 19.578 28.237 1.00 40.71 N ATOM 404 HE ARG A 765 14.551 20.544 28.549 1.00 0.00 H ATOM 405 HH12 ARG A 765 18.079 19.697 30.415 1.00 0.00 H ATOM 406 HH11 ARG A 765 16.744 20.470 31.345 1.00 0.00 H ATOM 407 HH22 ARG A 765 17.792 19.195 28.201 1.00 0.00 H ATOM 408 HH21 ARG A 765 16.231 19.571 27.384 1.00 0.00 H ATOM 409 H ARG A 765 10.675 18.096 29.951 1.00 0.00 H ATOM 410 N PHE A 766 10.365 19.202 32.993 1.00 29.74 N ATOM 411 CA PHE A 766 9.805 19.797 34.197 1.00 28.39 C ATOM 412 C PHE A 766 8.503 19.103 34.593 1.00 25.55 C ATOM 413 O PHE A 766 7.421 19.657 34.396 1.00 25.01 O ATOM 414 CB PHE A 766 9.556 21.280 33.944 1.00 30.11 C ATOM 415 CG PHE A 766 10.786 22.035 33.528 1.00 33.12 C ATOM 416 CD1 PHE A 766 11.751 22.376 34.466 1.00 35.85 C ATOM 417 CD2 PHE A 766 10.979 22.406 32.206 1.00 36.19 C ATOM 418 CE1 PHE A 766 12.891 23.075 34.093 1.00 36.76 C ATOM 419 CE2 PHE A 766 12.116 23.107 31.825 1.00 38.66 C ATOM 420 CZ PHE A 766 13.075 23.436 32.770 1.00 37.75 C ATOM 421 H PHE A 766 9.770 19.140 32.142 1.00 0.00 H ATOM 422 N PRO A 767 8.603 17.892 35.167 1.00 24.86 N ATOM 423 CA PRO A 767 7.386 17.201 35.598 1.00 23.91 C ATOM 424 C PRO A 767 6.650 17.946 36.705 1.00 22.54 C ATOM 425 O PRO A 767 7.275 18.588 37.551 1.00 24.20 O ATOM 426 CB PRO A 767 7.886 15.835 36.106 1.00 25.79 C ATOM 427 CG PRO A 767 9.369 15.930 36.192 1.00 27.46 C ATOM 428 CD PRO A 767 9.819 17.080 35.345 1.00 26.67 C ATOM 429 N MET A 768 5.327 17.856 36.682 1.00 20.92 N ATOM 430 CA MET A 768 4.487 18.485 37.683 1.00 20.70 C ATOM 431 C MET A 768 3.182 17.718 37.770 1.00 19.37 C ATOM 432 O MET A 768 2.743 17.100 36.815 1.00 18.57 O ATOM 433 CB MET A 768 4.226 19.952 37.325 1.00 20.33 C ATOM 434 CG MET A 768 3.527 20.771 38.403 1.00 21.30 C ATOM 435 SD MET A 768 4.280 20.690 40.045 1.00 22.03 S ATOM 436 CE MET A 768 5.950 21.228 39.710 1.00 23.26 C ATOM 437 H MET A 768 4.875 17.314 35.918 1.00 0.00 H ATOM 438 N ASP A 769 2.582 17.757 38.949 1.00 19.02 N ATOM 439 CA ASP A 769 1.375 17.031 39.237 1.00 18.98 C ATOM 440 C ASP A 769 0.718 17.690 40.434 1.00 18.49 C ATOM 441 O ASP A 769 1.326 18.559 41.086 1.00 19.01 O ATOM 442 CB ASP A 769 1.714 15.583 39.569 1.00 20.39 C ATOM 443 CG ASP A 769 2.530 15.478 40.815 1.00 20.48 C ATOM 444 OD1 ASP A 769 3.758 15.612 40.723 1.00 21.64 O ATOM 445 OD2 ASP A 769 1.930 15.318 41.897 1.00 21.63 O ATOM 446 H ASP A 769 3.003 18.339 39.701 1.00 0.00 H ATOM 447 N LEU A 770 -0.496 17.262 40.739 1.00 19.88 N ATOM 448 CA LEU A 770 -1.310 17.922 41.769 1.00 20.22 C ATOM 449 C LEU A 770 -0.866 17.602 43.204 1.00 21.77 C ATOM 450 O LEU A 770 -1.079 18.412 44.103 1.00 21.60 O ATOM 451 CB LEU A 770 -2.796 17.633 41.565 1.00 20.53 C ATOM 452 CG LEU A 770 -3.356 18.068 40.207 1.00 19.75 C ATOM 453 CD1 LEU A 770 -4.764 17.530 40.016 1.00 19.99 C ATOM 454 CD2 LEU A 770 -3.346 19.584 40.029 1.00 19.82 C ATOM 455 H LEU A 770 -0.884 16.438 40.237 1.00 0.00 H ATOM 456 N LYS A 771 -0.252 16.439 43.414 1.00 21.55 N ATOM 457 CA LYS A 771 0.310 16.108 44.729 1.00 22.47 C ATOM 458 C LYS A 771 1.496 17.014 45.032 1.00 22.29 C ATOM 459 O LYS A 771 1.576 17.591 46.119 1.00 23.23 O ATOM 460 CB LYS A 771 0.718 14.639 44.805 1.00 23.12 C ATOM 461 CG LYS A 771 1.285 14.219 46.154 1.00 24.64 C ATOM 462 CD LYS A 771 1.579 12.727 46.171 1.00 26.71 C ATOM 463 CE LYS A 771 1.976 12.254 47.559 1.00 28.94 C ATOM 464 NZ LYS A 771 1.948 10.770 47.660 1.00 30.55 N ATOM 465 HZ1 LYS A 771 0.987 10.428 47.458 1.00 0.00 H ATOM 466 HZ2 LYS A 771 2.613 10.364 46.971 1.00 0.00 H ATOM 467 HZ3 LYS A 771 2.224 10.484 48.621 1.00 0.00 H ATOM 468 H LYS A 771 -0.169 15.755 42.635 1.00 0.00 H ATOM 469 N THR A 772 2.400 17.156 44.065 1.00 22.13 N ATOM 470 CA THR A 772 3.517 18.097 44.173 1.00 21.35 C ATOM 471 C THR A 772 3.005 19.527 44.428 1.00 21.89 C ATOM 472 O THR A 772 3.526 20.231 45.294 1.00 23.36 O ATOM 473 CB THR A 772 4.405 18.074 42.916 1.00 21.86 C ATOM 474 OG1 THR A 772 4.959 16.764 42.751 1.00 21.13 O ATOM 475 CG2 THR A 772 5.534 19.073 43.020 1.00 21.84 C ATOM 476 HG1 THR A 772 5.503 16.535 43.546 1.00 0.00 H ATOM 477 H THR A 772 2.310 16.579 43.204 1.00 0.00 H ATOM 478 N MET A 773 1.957 19.939 43.715 1.00 21.49 N ATOM 479 CA MET A 773 1.403 21.281 43.946 1.00 21.40 C ATOM 480 C MET A 773 0.817 21.429 45.355 1.00 22.94 C ATOM 481 O MET A 773 0.985 22.477 45.999 1.00 23.62 O ATOM 482 CB MET A 773 0.364 21.638 42.886 1.00 21.34 C ATOM 483 CG MET A 773 0.965 21.831 41.507 1.00 22.07 C ATOM 484 SD MET A 773 -0.214 22.553 40.350 1.00 22.19 S ATOM 485 CE MET A 773 -0.455 24.168 41.109 1.00 22.26 C ATOM 486 H MET A 773 1.534 19.315 42.999 1.00 0.00 H ATOM 487 N SER A 774 0.163 20.382 45.849 1.00 22.28 N ATOM 488 CA SER A 774 -0.376 20.392 47.207 1.00 23.99 C ATOM 489 C SER A 774 0.723 20.597 48.248 1.00 23.85 C ATOM 490 O SER A 774 0.567 21.386 49.181 1.00 24.77 O ATOM 491 CB SER A 774 -1.137 19.098 47.501 1.00 26.82 C ATOM 492 OG SER A 774 -2.281 19.001 46.673 1.00 29.06 O ATOM 493 HG SER A 774 -2.001 19.003 45.723 1.00 0.00 H ATOM 494 H SER A 774 0.032 19.538 45.256 1.00 0.00 H ATOM 495 N GLU A 775 1.837 19.897 48.079 1.00 24.58 N ATOM 496 CA GLU A 775 2.972 20.058 48.993 1.00 26.44 C ATOM 497 C GLU A 775 3.604 21.437 48.860 1.00 26.48 C ATOM 498 O GLU A 775 3.980 22.051 49.862 1.00 27.59 O ATOM 499 CB GLU A 775 4.022 18.969 48.758 1.00 28.60 C ATOM 500 CG GLU A 775 3.562 17.591 49.180 1.00 31.89 C ATOM 501 CD GLU A 775 3.286 17.511 50.667 1.00 35.95 C ATOM 502 OE1 GLU A 775 4.157 17.917 51.466 1.00 36.89 O ATOM 503 OE2 GLU A 775 2.193 17.045 51.030 1.00 40.02 O ATOM 504 H GLU A 775 1.906 19.225 47.288 1.00 0.00 H ATOM 505 N ARG A 776 3.719 21.930 47.627 1.00 25.89 N ATOM 506 CA ARG A 776 4.272 23.262 47.396 1.00 26.22 C ATOM 507 C ARG A 776 3.398 24.329 48.050 1.00 28.29 C ATOM 508 O ARG A 776 3.917 25.296 48.610 1.00 29.87 O ATOM 509 CB ARG A 776 4.420 23.546 45.907 1.00 25.18 C ATOM 510 CG ARG A 776 5.569 22.794 45.263 1.00 24.35 C ATOM 511 CD ARG A 776 5.692 23.087 43.778 1.00 24.90 C ATOM 512 NE ARG A 776 6.995 22.635 43.301 1.00 24.69 N ATOM 513 CZ ARG A 776 7.664 23.125 42.261 1.00 24.27 C ATOM 514 NH1 ARG A 776 7.162 24.095 41.500 1.00 23.44 N ATOM 515 NH2 ARG A 776 8.859 22.627 41.975 1.00 23.92 N ATOM 516 HE ARG A 776 7.443 21.856 43.824 1.00 0.00 H ATOM 517 HH12 ARG A 776 7.708 24.458 40.693 1.00 0.00 H ATOM 518 HH11 ARG A 776 6.223 24.489 41.712 1.00 0.00 H ATOM 519 HH22 ARG A 776 9.397 22.998 41.166 1.00 0.00 H ATOM 520 HH21 ARG A 776 9.259 21.866 42.560 1.00 0.00 H ATOM 521 H ARG A 776 3.410 21.357 46.816 1.00 0.00 H ATOM 522 N LEU A 777 2.080 24.146 47.975 1.00 28.18 N ATOM 523 CA LEU A 777 1.132 25.043 48.643 1.00 30.43 C ATOM 524 C LEU A 777 1.360 25.027 50.152 1.00 32.20 C ATOM 525 O LEU A 777 1.501 26.083 50.776 1.00 32.99 O ATOM 526 CB LEU A 777 -0.306 24.632 48.326 1.00 30.45 C ATOM 527 CG LEU A 777 -1.408 25.454 49.003 1.00 31.29 C ATOM 528 CD1 LEU A 777 -1.504 26.830 48.369 1.00 32.19 C ATOM 529 CD2 LEU A 777 -2.735 24.723 48.912 1.00 31.05 C ATOM 530 H LEU A 777 1.713 23.343 47.426 1.00 0.00 H ATOM 531 N LYS A 778 1.395 23.826 50.725 1.00 32.97 N ATOM 532 CA LYS A 778 1.682 23.636 52.155 1.00 36.78 C ATOM 533 C LYS A 778 2.989 24.298 52.609 1.00 35.45 C ATOM 534 O LYS A 778 3.057 24.863 53.708 1.00 36.79 O ATOM 535 CB LYS A 778 1.746 22.148 52.495 1.00 42.21 C ATOM 536 CG LYS A 778 0.490 21.588 53.140 1.00 48.40 C ATOM 537 CD LYS A 778 0.649 20.107 53.469 1.00 53.56 C ATOM 538 CE LYS A 778 1.689 19.842 54.553 1.00 56.52 C ATOM 539 NZ LYS A 778 1.098 19.676 55.907 1.00 60.81 N ATOM 540 HZ1 LYS A 778 0.586 20.542 56.169 1.00 0.00 H ATOM 541 HZ2 LYS A 778 0.440 18.871 55.900 1.00 0.00 H ATOM 542 HZ3 LYS A 778 1.857 19.499 56.596 1.00 0.00 H ATOM 543 H LYS A 778 1.212 22.988 50.137 1.00 0.00 H ATOM 544 N ASN A 779 4.015 24.226 51.764 1.00 31.41 N ATOM 545 CA ASN A 779 5.326 24.812 52.063 1.00 32.61 C ATOM 546 C ASN A 779 5.431 26.313 51.747 1.00 32.59 C ATOM 547 O ASN A 779 6.526 26.868 51.743 1.00 32.52 O ATOM 548 CB ASN A 779 6.423 24.037 51.323 1.00 32.52 C ATOM 549 CG ASN A 779 6.563 22.606 51.817 1.00 33.17 C ATOM 550 OD1 ASN A 779 6.301 22.312 52.983 1.00 32.77 O ATOM 551 ND2 ASN A 779 6.978 21.709 50.930 1.00 31.54 N ATOM 552 HD22 ASN A 779 7.188 22.001 49.954 1.00 0.00 H ATOM 553 HD21 ASN A 779 7.093 20.714 51.211 1.00 0.00 H ATOM 554 H ASN A 779 3.882 23.735 50.857 1.00 0.00 H ATOM 555 N ARG A 780 4.294 26.953 51.483 1.00 33.39 N ATOM 556 CA ARG A 780 4.216 28.393 51.208 1.00 35.43 C ATOM 557 C ARG A 780 5.025 28.859 49.999 1.00 33.30 C ATOM 558 O ARG A 780 5.531 29.978 49.973 1.00 31.88 O ATOM 559 CB ARG A 780 4.569 29.205 52.465 1.00 39.14 C ATOM 560 CG ARG A 780 3.693 28.880 53.670 1.00 43.96 C ATOM 561 CD ARG A 780 2.212 28.889 53.313 1.00 48.30 C ATOM 562 NE ARG A 780 1.337 28.687 54.468 1.00 53.95 N ATOM 563 CZ ARG A 780 0.533 29.607 55.008 1.00 57.23 C ATOM 564 NH1 ARG A 780 0.459 30.847 54.521 1.00 55.01 N ATOM 565 NH2 ARG A 780 -0.218 29.276 56.055 1.00 61.92 N ATOM 566 HE ARG A 780 1.341 27.744 54.907 1.00 0.00 H ATOM 567 HH12 ARG A 780 -0.176 31.542 54.963 1.00 0.00 H ATOM 568 HH11 ARG A 780 1.037 31.119 53.700 1.00 0.00 H ATOM 569 HH22 ARG A 780 -0.849 29.981 56.486 1.00 0.00 H ATOM 570 HH21 ARG A 780 -0.174 28.312 56.442 1.00 0.00 H ATOM 571 H ARG A 780 3.412 26.402 51.471 1.00 0.00 H ATOM 572 N TYR A 781 5.107 28.007 48.979 1.00 31.11 N ATOM 573 CA TYR A 781 5.777 28.367 47.734 1.00 29.64 C ATOM 574 C TYR A 781 4.971 29.376 46.908 1.00 29.97 C ATOM 575 O TYR A 781 5.552 30.237 46.256 1.00 31.08 O ATOM 576 CB TYR A 781 6.035 27.111 46.894 1.00 28.82 C ATOM 577 CG TYR A 781 6.598 27.365 45.516 1.00 28.86 C ATOM 578 CD1 TYR A 781 7.882 27.863 45.348 1.00 29.48 C ATOM 579 CD2 TYR A 781 5.856 27.062 44.370 1.00 28.44 C ATOM 580 CE1 TYR A 781 8.406 28.084 44.085 1.00 30.76 C ATOM 581 CE2 TYR A 781 6.373 27.273 43.105 1.00 28.79 C ATOM 582 CZ TYR A 781 7.648 27.788 42.966 1.00 30.20 C ATOM 583 OH TYR A 781 8.170 28.003 41.713 1.00 32.33 O ATOM 584 HH TYR A 781 9.085 28.372 41.797 1.00 0.00 H ATOM 585 H TYR A 781 4.683 27.062 49.072 1.00 0.00 H ATOM 586 N TYR A 782 3.643 29.259 46.925 1.00 29.01 N ATOM 587 CA TYR A 782 2.798 30.035 46.021 1.00 28.24 C ATOM 588 C TYR A 782 2.495 31.415 46.593 1.00 29.41 C ATOM 589 O TYR A 782 1.386 31.684 47.038 1.00 31.18 O ATOM 590 CB TYR A 782 1.503 29.281 45.689 1.00 26.78 C ATOM 591 CG TYR A 782 1.761 27.995 44.934 1.00 25.44 C ATOM 592 CD1 TYR A 782 2.424 28.007 43.713 1.00 25.07 C ATOM 593 CD2 TYR A 782 1.348 26.775 45.445 1.00 25.16 C ATOM 594 CE1 TYR A 782 2.673 26.831 43.022 1.00 24.26 C ATOM 595 CE2 TYR A 782 1.598 25.597 44.768 1.00 24.55 C ATOM 596 CZ TYR A 782 2.259 25.629 43.564 1.00 24.80 C ATOM 597 OH TYR A 782 2.497 24.444 42.896 1.00 25.47 O ATOM 598 HH TYR A 782 2.978 24.633 42.052 1.00 0.00 H ATOM 599 H TYR A 782 3.199 28.601 47.597 1.00 0.00 H ATOM 600 N VAL A 783 3.504 32.279 46.545 1.00 31.56 N ATOM 601 CA VAL A 783 3.382 33.656 47.037 1.00 33.65 C ATOM 602 C VAL A 783 2.764 34.601 46.002 1.00 34.10 C ATOM 603 O VAL A 783 2.544 35.777 46.296 1.00 33.89 O ATOM 604 CB VAL A 783 4.744 34.223 47.506 1.00 33.03 C ATOM 605 CG1 VAL A 783 5.314 33.386 48.644 1.00 35.24 C ATOM 606 CG2 VAL A 783 5.745 34.325 46.361 1.00 33.19 C ATOM 607 H VAL A 783 4.412 31.968 46.145 1.00 0.00 H ATOM 608 N SER A 784 2.486 34.094 44.801 1.00 31.65 N ATOM 609 CA SER A 784 1.846 34.874 43.749 1.00 31.03 C ATOM 610 C SER A 784 0.919 34.004 42.913 1.00 31.18 C ATOM 611 O SER A 784 1.069 32.779 42.871 1.00 29.85 O ATOM 612 CB SER A 784 2.906 35.504 42.842 1.00 32.38 C ATOM 613 OG SER A 784 3.590 34.532 42.058 1.00 32.95 O ATOM 614 HG SER A 784 4.263 34.983 41.489 1.00 0.00 H ATOM 615 H SER A 784 2.735 33.103 44.607 1.00 0.00 H ATOM 616 N LYS A 785 -0.026 34.640 42.231 1.00 30.19 N ATOM 617 CA LYS A 785 -0.851 33.946 41.243 1.00 29.63 C ATOM 618 C LYS A 785 0.028 33.354 40.145 1.00 29.43 C ATOM 619 O LYS A 785 -0.195 32.223 39.703 1.00 29.49 O ATOM 620 CB LYS A 785 -1.878 34.904 40.622 1.00 31.13 C ATOM 621 CG LYS A 785 -2.678 34.314 39.462 1.00 31.88 C ATOM 622 CD LYS A 785 -3.551 35.354 38.779 1.00 34.42 C ATOM 623 CE LYS A 785 -4.103 34.835 37.459 1.00 35.76 C ATOM 624 NZ LYS A 785 -5.211 35.678 36.939 1.00 38.14 N ATOM 625 HZ1 LYS A 785 -5.988 35.692 37.630 1.00 0.00 H ATOM 626 HZ2 LYS A 785 -4.865 36.647 36.785 1.00 0.00 H ATOM 627 HZ3 LYS A 785 -5.552 35.283 36.039 1.00 0.00 H ATOM 628 H LYS A 785 -0.183 35.654 42.403 1.00 0.00 H ATOM 629 N LYS A 786 1.025 34.116 39.708 1.00 28.44 N ATOM 630 CA LYS A 786 1.874 33.711 38.592 1.00 30.96 C ATOM 631 C LYS A 786 2.553 32.357 38.835 1.00 30.17 C ATOM 632 O LYS A 786 2.598 31.516 37.930 1.00 28.22 O ATOM 633 CB LYS A 786 2.929 34.785 38.303 1.00 32.96 C ATOM 634 CG LYS A 786 3.643 34.613 36.974 1.00 35.03 C ATOM 635 H LYS A 786 1.206 35.028 40.175 1.00 0.00 H ATOM 636 N LEU A 787 3.074 32.157 40.047 1.00 29.91 N ATOM 637 CA LEU A 787 3.743 30.902 40.404 1.00 30.87 C ATOM 638 C LEU A 787 2.775 29.720 40.389 1.00 29.06 C ATOM 639 O LEU A 787 3.135 28.635 39.938 1.00 27.55 O ATOM 640 CB LEU A 787 4.398 30.997 41.787 1.00 33.18 C ATOM 641 CG LEU A 787 5.613 31.915 41.921 1.00 34.57 C ATOM 642 CD1 LEU A 787 5.959 32.131 43.389 1.00 35.45 C ATOM 643 CD2 LEU A 787 6.800 31.348 41.156 1.00 35.28 C ATOM 644 H LEU A 787 3.004 32.912 40.758 1.00 0.00 H ATOM 645 N PHE A 788 1.561 29.942 40.892 1.00 26.16 N ATOM 646 CA PHE A 788 0.523 28.910 40.962 1.00 26.03 C ATOM 647 C PHE A 788 0.061 28.523 39.570 1.00 25.78 C ATOM 648 O PHE A 788 -0.018 27.336 39.244 1.00 23.94 O ATOM 649 CB PHE A 788 -0.652 29.412 41.794 1.00 25.54 C ATOM 650 CG PHE A 788 -1.754 28.407 41.997 1.00 25.03 C ATOM 651 CD1 PHE A 788 -1.643 27.417 42.963 1.00 24.60 C ATOM 652 CD2 PHE A 788 -2.922 28.483 41.258 1.00 25.21 C ATOM 653 CE1 PHE A 788 -2.665 26.513 43.172 1.00 24.51 C ATOM 654 CE2 PHE A 788 -3.949 27.585 41.461 1.00 26.06 C ATOM 655 CZ PHE A 788 -3.820 26.592 42.418 1.00 25.73 C ATOM 656 H PHE A 788 1.340 30.892 41.252 1.00 0.00 H ATOM 657 N MET A 789 -0.230 29.538 38.755 1.00 25.31 N ATOM 658 CA MET A 789 -0.617 29.343 37.359 1.00 26.73 C ATOM 659 C MET A 789 0.434 28.564 36.590 1.00 24.92 C ATOM 660 O MET A 789 0.095 27.704 35.773 1.00 24.37 O ATOM 661 CB MET A 789 -0.784 30.695 36.644 1.00 30.07 C ATOM 662 CG MET A 789 -1.813 31.631 37.243 1.00 32.54 C ATOM 663 SD MET A 789 -3.480 30.988 37.169 1.00 36.44 S ATOM 664 CE MET A 789 -3.914 31.367 35.474 1.00 35.40 C ATOM 665 H MET A 789 -0.179 30.508 39.128 1.00 0.00 H ATOM 666 N ALA A 790 1.705 28.894 36.821 1.00 24.14 N ATOM 667 CA ALA A 790 2.806 28.277 36.088 1.00 24.67 C ATOM 668 C ALA A 790 2.839 26.770 36.318 1.00 23.83 C ATOM 669 O ALA A 790 3.029 25.990 35.373 1.00 25.09 O ATOM 670 CB ALA A 790 4.133 28.895 36.507 1.00 26.02 C ATOM 671 H ALA A 790 1.918 29.611 37.544 1.00 0.00 H ATOM 672 N ASP A 791 2.652 26.364 37.567 1.00 23.78 N ATOM 673 CA ASP A 791 2.734 24.942 37.898 1.00 23.33 C ATOM 674 C ASP A 791 1.544 24.169 37.353 1.00 22.22 C ATOM 675 O ASP A 791 1.715 23.102 36.757 1.00 21.10 O ATOM 676 CB ASP A 791 2.873 24.727 39.406 1.00 23.55 C ATOM 677 CG ASP A 791 4.288 24.951 39.900 1.00 23.59 C ATOM 678 OD1 ASP A 791 5.188 25.255 39.080 1.00 25.52 O ATOM 679 OD2 ASP A 791 4.509 24.800 41.114 1.00 25.14 O ATOM 680 H ASP A 791 2.446 27.059 38.313 1.00 0.00 H ATOM 681 N LEU A 792 0.335 24.697 37.535 1.00 22.60 N ATOM 682 CA LEU A 792 -0.855 24.014 37.021 1.00 22.86 C ATOM 683 C LEU A 792 -0.817 23.962 35.497 1.00 22.20 C ATOM 684 O LEU A 792 -1.096 22.929 34.897 1.00 22.13 O ATOM 685 CB LEU A 792 -2.137 24.679 37.542 1.00 26.08 C ATOM 686 CG LEU A 792 -3.459 23.888 37.630 1.00 31.56 C ATOM 687 CD1 LEU A 792 -3.366 22.412 37.274 1.00 30.50 C ATOM 688 CD2 LEU A 792 -4.056 24.060 39.025 1.00 33.21 C ATOM 689 H LEU A 792 0.235 25.598 38.044 1.00 0.00 H ATOM 690 N GLN A 793 -0.453 25.069 34.868 1.00 22.27 N ATOM 691 CA GLN A 793 -0.347 25.093 33.423 1.00 22.87 C ATOM 692 C GLN A 793 0.713 24.086 32.930 1.00 22.39 C ATOM 693 O GLN A 793 0.517 23.438 31.905 1.00 23.19 O ATOM 694 CB GLN A 793 -0.051 26.515 32.953 1.00 23.93 C ATOM 695 CG GLN A 793 -0.224 26.744 31.471 1.00 24.58 C ATOM 696 CD GLN A 793 -1.547 26.249 30.912 1.00 24.61 C ATOM 697 OE1 GLN A 793 -2.634 26.724 31.273 1.00 24.78 O ATOM 698 NE2 GLN A 793 -1.455 25.306 29.997 1.00 23.99 N ATOM 699 HE22 GLN A 793 -0.522 24.936 29.724 1.00 0.00 H ATOM 700 HE21 GLN A 793 -2.315 24.932 29.548 1.00 0.00 H ATOM 701 H GLN A 793 -0.242 25.928 35.415 1.00 0.00 H ATOM 702 N ARG A 794 1.799 23.921 33.688 1.00 21.60 N ATOM 703 CA ARG A 794 2.840 22.933 33.361 1.00 22.46 C ATOM 704 C ARG A 794 2.292 21.493 33.357 1.00 21.83 C ATOM 705 O ARG A 794 2.700 20.663 32.540 1.00 20.56 O ATOM 706 CB ARG A 794 4.019 23.057 34.343 1.00 24.98 C ATOM 707 CG ARG A 794 5.161 22.066 34.129 1.00 26.97 C ATOM 708 CD ARG A 794 5.872 22.277 32.804 1.00 29.48 C ATOM 709 NE ARG A 794 6.654 23.511 32.800 1.00 33.47 N ATOM 710 CZ ARG A 794 7.363 23.950 31.762 1.00 35.69 C ATOM 711 NH1 ARG A 794 8.047 25.085 31.868 1.00 37.71 N ATOM 712 NH2 ARG A 794 7.395 23.266 30.622 1.00 35.06 N ATOM 713 HE ARG A 794 6.657 24.086 33.667 1.00 0.00 H ATOM 714 HH12 ARG A 794 8.603 25.434 31.062 1.00 0.00 H ATOM 715 HH11 ARG A 794 8.026 25.624 32.757 1.00 0.00 H ATOM 716 HH22 ARG A 794 7.953 23.620 29.819 1.00 0.00 H ATOM 717 HH21 ARG A 794 6.862 22.377 30.534 1.00 0.00 H ATOM 718 H ARG A 794 1.914 24.510 34.538 1.00 0.00 H ATOM 719 N VAL A 795 1.373 21.193 34.271 1.00 20.91 N ATOM 720 CA VAL A 795 0.699 19.888 34.255 1.00 20.45 C ATOM 721 C VAL A 795 0.083 19.660 32.874 1.00 21.22 C ATOM 722 O VAL A 795 0.281 18.608 32.248 1.00 19.90 O ATOM 723 CB VAL A 795 -0.388 19.783 35.356 1.00 20.46 C ATOM 724 CG1 VAL A 795 -1.207 18.514 35.205 1.00 20.47 C ATOM 725 CG2 VAL A 795 0.234 19.848 36.749 1.00 19.85 C ATOM 726 H VAL A 795 1.129 21.889 35.004 1.00 0.00 H ATOM 727 N PHE A 796 -0.630 20.667 32.370 1.00 20.15 N ATOM 728 CA PHE A 796 -1.327 20.533 31.099 1.00 20.25 C ATOM 729 C PHE A 796 -0.364 20.480 29.917 1.00 20.90 C ATOM 730 O PHE A 796 -0.528 19.641 29.034 1.00 20.70 O ATOM 731 CB PHE A 796 -2.338 21.660 30.896 1.00 19.83 C ATOM 732 CG PHE A 796 -3.351 21.768 32.001 1.00 20.56 C ATOM 733 CD1 PHE A 796 -3.894 20.628 32.576 1.00 21.46 C ATOM 734 CD2 PHE A 796 -3.740 23.015 32.482 1.00 21.43 C ATOM 735 CE1 PHE A 796 -4.810 20.727 33.611 1.00 22.62 C ATOM 736 CE2 PHE A 796 -4.663 23.119 33.514 1.00 21.62 C ATOM 737 CZ PHE A 796 -5.195 21.969 34.078 1.00 21.73 C ATOM 738 H PHE A 796 -0.689 21.564 32.894 1.00 0.00 H ATOM 739 N THR A 797 0.651 21.340 29.914 1.00 21.39 N ATOM 740 CA THR A 797 1.581 21.372 28.783 1.00 23.09 C ATOM 741 C THR A 797 2.424 20.094 28.720 1.00 22.85 C ATOM 742 O THR A 797 2.666 19.557 27.635 1.00 22.38 O ATOM 743 CB THR A 797 2.468 22.632 28.775 1.00 25.94 C ATOM 744 OG1 THR A 797 3.224 22.719 29.984 1.00 29.58 O ATOM 745 CG2 THR A 797 1.622 23.856 28.642 1.00 26.57 C ATOM 746 HG1 THR A 797 3.787 23.533 29.962 1.00 0.00 H ATOM 747 H THR A 797 0.784 21.990 30.715 1.00 0.00 H ATOM 748 N ASN A 798 2.821 19.565 29.875 1.00 21.94 N ATOM 749 CA ASN A 798 3.495 18.270 29.879 1.00 21.81 C ATOM 750 C ASN A 798 2.633 17.199 29.208 1.00 20.05 C ATOM 751 O ASN A 798 3.116 16.400 28.396 1.00 19.10 O ATOM 752 CB ASN A 798 3.831 17.815 31.299 1.00 21.41 C ATOM 753 CG ASN A 798 4.939 18.626 31.941 1.00 22.18 C ATOM 754 OD1 ASN A 798 5.648 19.397 31.282 1.00 23.43 O ATOM 755 ND2 ASN A 798 5.093 18.456 33.243 1.00 22.54 N ATOM 756 HD22 ASN A 798 4.475 17.797 33.758 1.00 0.00 H ATOM 757 HD21 ASN A 798 5.833 18.981 33.752 1.00 0.00 H ATOM 758 H ASN A 798 2.652 20.070 30.768 1.00 0.00 H ATOM 759 N CYS A 799 1.352 17.179 29.568 1.00 19.31 N ATOM 760 CA CYS A 799 0.437 16.170 29.068 1.00 19.21 C ATOM 761 C CYS A 799 0.276 16.289 27.553 1.00 19.73 C ATOM 762 O CYS A 799 0.325 15.299 26.836 1.00 18.41 O ATOM 763 CB CYS A 799 -0.908 16.314 29.770 1.00 20.14 C ATOM 764 SG CYS A 799 -2.103 15.066 29.308 1.00 21.30 S ATOM 765 H CYS A 799 0.998 17.904 30.224 1.00 0.00 H ATOM 766 N LYS A 800 0.125 17.517 27.067 1.00 20.03 N ATOM 767 CA LYS A 800 -0.065 17.738 25.636 1.00 22.23 C ATOM 768 C LYS A 800 1.219 17.536 24.821 1.00 22.75 C ATOM 769 O LYS A 800 1.144 17.130 23.661 1.00 24.51 O ATOM 770 CB LYS A 800 -0.644 19.126 25.393 1.00 21.22 C ATOM 771 CG LYS A 800 -2.018 19.293 26.001 1.00 21.92 C ATOM 772 CD LYS A 800 -2.461 20.737 25.942 1.00 22.86 C ATOM 773 CE LYS A 800 -3.817 20.876 26.586 1.00 22.46 C ATOM 774 NZ LYS A 800 -4.207 22.302 26.722 1.00 21.63 N ATOM 775 HZ1 LYS A 800 -3.508 22.797 27.312 1.00 0.00 H ATOM 776 HZ2 LYS A 800 -4.241 22.742 25.780 1.00 0.00 H ATOM 777 HZ3 LYS A 800 -5.144 22.363 27.168 1.00 0.00 H ATOM 778 H LYS A 800 0.142 18.331 27.714 1.00 0.00 H ATOM 779 N GLU A 801 2.373 17.829 25.417 1.00 23.63 N ATOM 780 CA GLU A 801 3.675 17.568 24.790 1.00 24.87 C ATOM 781 C GLU A 801 3.912 16.064 24.642 1.00 25.27 C ATOM 782 O GLU A 801 4.486 15.614 23.653 1.00 25.67 O ATOM 783 CB GLU A 801 4.825 18.182 25.602 1.00 27.65 C ATOM 784 CG GLU A 801 5.004 19.689 25.425 1.00 31.66 C ATOM 785 CD GLU A 801 6.104 20.270 26.309 1.00 34.58 C ATOM 786 OE1 GLU A 801 6.883 19.505 26.911 1.00 38.62 O ATOM 787 OE2 GLU A 801 6.195 21.504 26.407 1.00 41.58 O ATOM 788 H GLU A 801 2.351 18.259 26.363 1.00 0.00 H ATOM 789 N TYR A 802 3.455 15.278 25.613 1.00 22.58 N ATOM 790 CA TYR A 802 3.777 13.857 25.617 1.00 23.28 C ATOM 791 C TYR A 802 2.772 12.990 24.856 1.00 23.29 C ATOM 792 O TYR A 802 3.158 12.034 24.173 1.00 24.35 O ATOM 793 CB TYR A 802 3.902 13.358 27.054 1.00 23.51 C ATOM 794 CG TYR A 802 4.549 12.004 27.149 1.00 24.27 C ATOM 795 CD1 TYR A 802 5.931 11.873 27.103 1.00 25.63 C ATOM 796 CD2 TYR A 802 3.777 10.854 27.268 1.00 24.94 C ATOM 797 CE1 TYR A 802 6.531 10.630 27.189 1.00 27.52 C ATOM 798 CE2 TYR A 802 4.367 9.605 27.353 1.00 26.47 C ATOM 799 CZ TYR A 802 5.746 9.503 27.314 1.00 28.13 C ATOM 800 OH TYR A 802 6.340 8.269 27.398 1.00 32.54 O ATOM 801 HH TYR A 802 7.323 8.374 27.355 1.00 0.00 H ATOM 802 H TYR A 802 2.866 15.679 26.371 1.00 0.00 H ATOM 803 N ASN A 803 1.489 13.316 24.992 1.00 22.46 N ATOM 804 CA ASN A 803 0.406 12.449 24.543 1.00 22.68 C ATOM 805 C ASN A 803 -0.254 12.902 23.248 1.00 23.22 C ATOM 806 O ASN A 803 -0.272 14.100 22.955 1.00 24.20 O ATOM 807 CB ASN A 803 -0.664 12.368 25.623 1.00 23.06 C ATOM 808 CG ASN A 803 -0.156 11.726 26.892 1.00 22.71 C ATOM 809 OD1 ASN A 803 0.068 10.513 26.928 1.00 23.82 O ATOM 810 ND2 ASN A 803 0.032 12.525 27.936 1.00 21.80 N ATOM 811 HD22 ASN A 803 -0.171 13.542 27.856 1.00 0.00 H ATOM 812 HD21 ASN A 803 0.383 12.134 28.834 1.00 0.00 H ATOM 813 H ASN A 803 1.249 14.225 25.436 1.00 0.00 H ATOM 814 N PRO A 804 -0.811 11.942 22.482 1.00 24.08 N ATOM 815 CA PRO A 804 -1.595 12.266 21.285 1.00 25.10 C ATOM 816 C PRO A 804 -2.874 13.051 21.612 1.00 24.88 C ATOM 817 O PRO A 804 -3.443 12.880 22.688 1.00 23.32 O ATOM 818 CB PRO A 804 -1.952 10.896 20.688 1.00 26.81 C ATOM 819 CG PRO A 804 -1.182 9.876 21.445 1.00 26.02 C ATOM 820 CD PRO A 804 -0.714 10.489 22.720 1.00 25.73 C ATOM 821 N PRO A 805 -3.329 13.904 20.680 1.00 25.80 N ATOM 822 CA PRO A 805 -4.454 14.812 20.906 1.00 27.88 C ATOM 823 C PRO A 805 -5.778 14.145 21.238 1.00 30.16 C ATOM 824 O PRO A 805 -6.591 14.746 21.925 1.00 32.59 O ATOM 825 CB PRO A 805 -4.568 15.577 19.580 1.00 29.37 C ATOM 826 CG PRO A 805 -3.911 14.703 18.569 1.00 28.49 C ATOM 827 CD PRO A 805 -2.817 13.992 19.300 1.00 28.20 C ATOM 828 N GLU A 806 -6.002 12.924 20.756 1.00 31.07 N ATOM 829 CA GLU A 806 -7.270 12.249 21.000 1.00 33.46 C ATOM 830 C GLU A 806 -7.146 11.187 22.099 1.00 31.39 C ATOM 831 O GLU A 806 -8.065 10.390 22.301 1.00 34.21 O ATOM 832 CB GLU A 806 -7.825 11.654 19.694 1.00 34.28 C ATOM 833 CG GLU A 806 -7.884 12.647 18.527 1.00 36.11 C ATOM 834 CD GLU A 806 -8.711 13.888 18.838 1.00 37.11 C ATOM 835 OE1 GLU A 806 -9.842 13.731 19.345 1.00 38.84 O ATOM 836 OE2 GLU A 806 -8.232 15.020 18.579 1.00 35.16 O ATOM 837 H GLU A 806 -5.264 12.447 20.200 1.00 0.00 H ATOM 838 N SER A 807 -6.022 11.187 22.819 1.00 28.94 N ATOM 839 CA SER A 807 -5.846 10.304 23.976 1.00 26.95 C ATOM 840 C SER A 807 -6.702 10.790 25.132 1.00 24.78 C ATOM 841 O SER A 807 -6.989 11.980 25.254 1.00 24.69 O ATOM 842 CB SER A 807 -4.383 10.251 24.420 1.00 26.09 C ATOM 843 OG SER A 807 -3.952 11.490 24.968 1.00 25.43 O ATOM 844 HG SER A 807 -4.045 12.201 24.286 1.00 0.00 H ATOM 845 H SER A 807 -5.250 11.831 22.552 1.00 0.00 H ATOM 846 N GLU A 808 -7.100 9.867 25.997 1.00 24.78 N ATOM 847 CA GLU A 808 -7.871 10.231 27.174 1.00 22.88 C ATOM 848 C GLU A 808 -7.120 11.241 28.043 1.00 20.44 C ATOM 849 O GLU A 808 -7.727 12.136 28.612 1.00 19.45 O ATOM 850 CB GLU A 808 -8.203 8.977 27.992 1.00 24.18 C ATOM 851 CG GLU A 808 -9.120 9.210 29.179 1.00 25.62 C ATOM 852 CD GLU A 808 -10.521 9.674 28.790 1.00 28.53 C ATOM 853 OE1 GLU A 808 -10.955 9.452 27.636 1.00 29.60 O ATOM 854 OE2 GLU A 808 -11.197 10.264 29.648 1.00 29.94 O ATOM 855 H GLU A 808 -6.857 8.869 25.831 1.00 0.00 H ATOM 856 N TYR A 809 -5.802 11.115 28.140 1.00 19.78 N ATOM 857 CA TYR A 809 -5.035 12.040 28.970 1.00 19.58 C ATOM 858 C TYR A 809 -5.135 13.462 28.436 1.00 19.40 C ATOM 859 O TYR A 809 -5.379 14.400 29.195 1.00 18.66 O ATOM 860 CB TYR A 809 -3.581 11.637 29.056 1.00 19.44 C ATOM 861 CG TYR A 809 -3.350 10.330 29.776 1.00 20.21 C ATOM 862 CD1 TYR A 809 -4.052 10.018 30.925 1.00 21.56 C ATOM 863 CD2 TYR A 809 -2.387 9.442 29.334 1.00 23.50 C ATOM 864 CE1 TYR A 809 -3.828 8.835 31.598 1.00 22.86 C ATOM 865 CE2 TYR A 809 -2.164 8.247 29.998 1.00 25.83 C ATOM 866 CZ TYR A 809 -2.889 7.961 31.129 1.00 25.40 C ATOM 867 OH TYR A 809 -2.671 6.795 31.828 1.00 31.55 O ATOM 868 HH TYR A 809 -1.732 6.769 32.140 1.00 0.00 H ATOM 869 H TYR A 809 -5.314 10.355 27.623 1.00 0.00 H ATOM 870 N TYR A 810 -4.950 13.611 27.127 1.00 20.63 N ATOM 871 CA TYR A 810 -5.040 14.932 26.504 1.00 19.96 C ATOM 872 C TYR A 810 -6.453 15.494 26.709 1.00 19.61 C ATOM 873 O TYR A 810 -6.622 16.659 27.086 1.00 19.12 O ATOM 874 CB TYR A 810 -4.695 14.823 25.022 1.00 20.01 C ATOM 875 CG TYR A 810 -4.382 16.128 24.303 1.00 20.20 C ATOM 876 CD1 TYR A 810 -5.374 17.067 24.052 1.00 21.57 C ATOM 877 CD2 TYR A 810 -3.106 16.377 23.805 1.00 21.56 C ATOM 878 CE1 TYR A 810 -5.088 18.241 23.358 1.00 22.72 C ATOM 879 CE2 TYR A 810 -2.820 17.539 23.099 1.00 21.61 C ATOM 880 CZ TYR A 810 -3.818 18.465 22.886 1.00 22.47 C ATOM 881 OH TYR A 810 -3.537 19.635 22.193 1.00 22.82 O ATOM 882 HH TYR A 810 -4.358 20.185 22.129 1.00 0.00 H ATOM 883 H TYR A 810 -4.739 12.779 26.540 1.00 0.00 H ATOM 884 N LYS A 811 -7.461 14.661 26.474 1.00 20.09 N ATOM 885 CA LYS A 811 -8.852 15.058 26.666 1.00 20.65 C ATOM 886 C LYS A 811 -9.107 15.521 28.103 1.00 20.63 C ATOM 887 O LYS A 811 -9.747 16.549 28.324 1.00 19.73 O ATOM 888 CB LYS A 811 -9.801 13.914 26.304 1.00 24.19 C ATOM 889 CG LYS A 811 -9.854 13.568 24.828 1.00 26.83 C ATOM 890 CD LYS A 811 -10.788 12.385 24.637 1.00 31.79 C ATOM 891 CE LYS A 811 -10.885 11.935 23.194 1.00 36.96 C ATOM 892 NZ LYS A 811 -11.652 10.658 23.130 1.00 40.80 N ATOM 893 HZ1 LYS A 811 -11.162 9.932 23.691 1.00 0.00 H ATOM 894 HZ2 LYS A 811 -12.607 10.809 23.514 1.00 0.00 H ATOM 895 HZ3 LYS A 811 -11.721 10.346 22.140 1.00 0.00 H ATOM 896 H LYS A 811 -7.252 13.697 26.143 1.00 0.00 H ATOM 897 N CYS A 812 -8.595 14.783 29.087 1.00 19.57 N ATOM 898 CA CYS A 812 -8.743 15.196 30.481 1.00 19.06 C ATOM 899 C CYS A 812 -8.059 16.541 30.769 1.00 18.05 C ATOM 900 O CYS A 812 -8.598 17.371 31.499 1.00 18.95 O ATOM 901 CB CYS A 812 -8.186 14.130 31.433 1.00 20.01 C ATOM 902 SG CYS A 812 -9.237 12.673 31.634 1.00 22.01 S ATOM 903 H CYS A 812 -8.085 13.905 28.861 1.00 0.00 H ATOM 904 N ALA A 813 -6.880 16.766 30.191 1.00 17.78 N ATOM 905 CA ALA A 813 -6.154 18.013 30.396 1.00 17.83 C ATOM 906 C ALA A 813 -6.997 19.205 29.923 1.00 18.55 C ATOM 907 O ALA A 813 -7.103 20.204 30.623 1.00 18.10 O ATOM 908 CB ALA A 813 -4.821 17.993 29.659 1.00 18.70 C ATOM 909 H ALA A 813 -6.467 16.034 29.578 1.00 0.00 H ATOM 910 N ASN A 814 -7.616 19.083 28.751 1.00 19.77 N ATOM 911 CA ASN A 814 -8.419 20.202 28.232 1.00 19.62 C ATOM 912 C ASN A 814 -9.704 20.443 29.022 1.00 20.13 C ATOM 913 O ASN A 814 -10.085 21.587 29.238 1.00 19.55 O ATOM 914 CB ASN A 814 -8.713 20.050 26.734 1.00 19.61 C ATOM 915 CG ASN A 814 -7.648 20.697 25.857 1.00 19.75 C ATOM 916 OD1 ASN A 814 -6.851 21.515 26.319 1.00 19.61 O ATOM 917 ND2 ASN A 814 -7.659 20.354 24.579 1.00 20.47 N ATOM 918 HD22 ASN A 814 -8.351 19.659 24.233 1.00 0.00 H ATOM 919 HD21 ASN A 814 -6.976 20.780 23.920 1.00 0.00 H ATOM 920 H ASN A 814 -7.533 18.202 28.205 1.00 0.00 H ATOM 921 N ILE A 815 -10.359 19.375 29.468 1.00 19.82 N ATOM 922 CA ILE A 815 -11.519 19.513 30.344 1.00 20.50 C ATOM 923 C ILE A 815 -11.126 20.178 31.666 1.00 19.31 C ATOM 924 O ILE A 815 -11.777 21.116 32.135 1.00 19.35 O ATOM 925 CB ILE A 815 -12.172 18.140 30.620 1.00 20.80 C ATOM 926 CG1 ILE A 815 -12.853 17.611 29.354 1.00 21.75 C ATOM 927 CG2 ILE A 815 -13.176 18.247 31.762 1.00 21.22 C ATOM 928 CD1 ILE A 815 -13.205 16.134 29.405 1.00 22.73 C ATOM 929 H ILE A 815 -10.040 18.426 29.188 1.00 0.00 H ATOM 930 N LEU A 816 -10.059 19.687 32.277 1.00 17.96 N ATOM 931 CA LEU A 816 -9.630 20.218 33.561 1.00 18.00 C ATOM 932 C LEU A 816 -9.128 21.645 33.452 1.00 18.50 C ATOM 933 O LEU A 816 -9.316 22.442 34.370 1.00 18.90 O ATOM 934 CB LEU A 816 -8.562 19.320 34.189 1.00 18.39 C ATOM 935 CG LEU A 816 -8.331 19.547 35.683 1.00 18.43 C ATOM 936 CD1 LEU A 816 -9.578 19.206 36.486 1.00 18.34 C ATOM 937 CD2 LEU A 816 -7.161 18.708 36.195 1.00 18.99 C ATOM 938 H LEU A 816 -9.522 18.914 31.834 1.00 0.00 H ATOM 939 N GLU A 817 -8.488 21.972 32.327 1.00 18.22 N ATOM 940 CA GLU A 817 -7.998 23.329 32.089 1.00 19.02 C ATOM 941 C GLU A 817 -9.153 24.319 32.017 1.00 19.30 C ATOM 942 O GLU A 817 -9.059 25.407 32.576 1.00 19.14 O ATOM 943 CB GLU A 817 -7.196 23.402 30.789 1.00 19.16 C ATOM 944 CG GLU A 817 -6.688 24.801 30.468 1.00 19.89 C ATOM 945 CD GLU A 817 -5.898 24.851 29.174 1.00 19.47 C ATOM 946 OE1 GLU A 817 -6.303 24.171 28.206 1.00 20.03 O ATOM 947 OE2 GLU A 817 -4.891 25.594 29.123 1.00 21.54 O ATOM 948 H GLU A 817 -8.334 21.243 31.601 1.00 0.00 H ATOM 949 N LYS A 818 -10.225 23.944 31.327 1.00 19.58 N ATOM 950 CA LYS A 818 -11.442 24.780 31.288 1.00 20.24 C ATOM 951 C LYS A 818 -11.924 25.047 32.702 1.00 20.22 C ATOM 952 O LYS A 818 -12.193 26.177 33.080 1.00 20.36 O ATOM 953 CB LYS A 818 -12.581 24.106 30.523 1.00 21.45 C ATOM 954 CG LYS A 818 -12.457 24.086 29.015 1.00 21.96 C ATOM 955 CD LYS A 818 -13.654 23.369 28.417 1.00 23.28 C ATOM 956 CE LYS A 818 -13.662 23.424 26.903 1.00 23.51 C ATOM 957 NZ LYS A 818 -14.885 22.766 26.370 1.00 24.77 N ATOM 958 HZ1 LYS A 818 -14.903 21.772 26.675 1.00 0.00 H ATOM 959 HZ2 LYS A 818 -15.727 23.256 26.733 1.00 0.00 H ATOM 960 HZ3 LYS A 818 -14.877 22.811 25.331 1.00 0.00 H ATOM 961 H LYS A 818 -10.207 23.045 30.805 1.00 0.00 H ATOM 962 N PHE A 819 -12.030 23.980 33.484 1.00 20.47 N ATOM 963 CA PHE A 819 -12.494 24.080 34.860 1.00 21.52 C ATOM 964 C PHE A 819 -11.592 24.994 35.691 1.00 21.77 C ATOM 965 O PHE A 819 -12.063 25.878 36.408 1.00 22.44 O ATOM 966 CB PHE A 819 -12.559 22.671 35.480 1.00 21.62 C ATOM 967 CG PHE A 819 -13.099 22.654 36.878 1.00 22.20 C ATOM 968 CD1 PHE A 819 -14.454 22.812 37.102 1.00 23.25 C ATOM 969 CD2 PHE A 819 -12.253 22.501 37.961 1.00 23.46 C ATOM 970 CE1 PHE A 819 -14.955 22.810 38.390 1.00 23.59 C ATOM 971 CE2 PHE A 819 -12.746 22.503 39.257 1.00 25.03 C ATOM 972 CZ PHE A 819 -14.102 22.651 39.468 1.00 24.32 C ATOM 973 H PHE A 819 -11.774 23.047 33.103 1.00 0.00 H ATOM 974 N PHE A 820 -10.288 24.760 35.586 1.00 20.38 N ATOM 975 CA PHE A 820 -9.267 25.534 36.282 1.00 21.73 C ATOM 976 C PHE A 820 -9.456 27.034 36.046 1.00 22.54 C ATOM 977 O PHE A 820 -9.525 27.823 36.994 1.00 23.54 O ATOM 978 CB PHE A 820 -7.896 25.056 35.788 1.00 23.75 C ATOM 979 CG PHE A 820 -6.762 25.996 36.060 1.00 26.29 C ATOM 980 CD1 PHE A 820 -6.395 26.316 37.352 1.00 28.19 C ATOM 981 CD2 PHE A 820 -6.023 26.519 35.006 1.00 27.44 C ATOM 982 CE1 PHE A 820 -5.321 27.160 37.594 1.00 30.14 C ATOM 983 CE2 PHE A 820 -4.946 27.357 35.241 1.00 29.29 C ATOM 984 CZ PHE A 820 -4.602 27.679 36.537 1.00 29.15 C ATOM 985 H PHE A 820 -9.978 23.980 34.972 1.00 0.00 H ATOM 986 N PHE A 821 -9.565 27.416 34.782 1.00 21.97 N ATOM 987 CA PHE A 821 -9.710 28.829 34.445 1.00 22.50 C ATOM 988 C PHE A 821 -11.026 29.402 34.987 1.00 24.91 C ATOM 989 O PHE A 821 -11.064 30.573 35.378 1.00 25.95 O ATOM 990 CB PHE A 821 -9.581 29.067 32.932 1.00 21.88 C ATOM 991 CG PHE A 821 -8.163 28.996 32.412 1.00 20.91 C ATOM 992 CD1 PHE A 821 -7.132 29.706 33.016 1.00 21.69 C ATOM 993 CD2 PHE A 821 -7.868 28.256 31.272 1.00 20.79 C ATOM 994 CE1 PHE A 821 -5.835 29.647 32.508 1.00 21.70 C ATOM 995 CE2 PHE A 821 -6.579 28.199 30.762 1.00 20.67 C ATOM 996 CZ PHE A 821 -5.561 28.894 31.382 1.00 22.11 C ATOM 997 H PHE A 821 -9.547 26.704 34.024 1.00 0.00 H ATOM 998 N SER A 822 -12.088 28.595 35.038 1.00 25.88 N ATOM 999 CA SER A 822 -13.350 29.073 35.601 1.00 27.93 C ATOM 1000 C SER A 822 -13.204 29.310 37.103 1.00 28.09 C ATOM 1001 O SER A 822 -13.772 30.261 37.641 1.00 31.07 O ATOM 1002 CB SER A 822 -14.504 28.114 35.295 1.00 28.95 C ATOM 1003 OG SER A 822 -14.910 28.239 33.943 1.00 30.28 O ATOM 1004 HG SER A 822 -15.655 27.613 33.764 1.00 0.00 H ATOM 1005 H SER A 822 -12.018 27.623 34.676 1.00 0.00 H ATOM 1006 N LYS A 823 -12.420 28.465 37.772 1.00 27.66 N ATOM 1007 CA LYS A 823 -12.156 28.629 39.207 1.00 29.68 C ATOM 1008 C LYS A 823 -11.290 29.853 39.510 1.00 30.16 C ATOM 1009 O LYS A 823 -11.492 30.517 40.521 1.00 31.13 O ATOM 1010 CB LYS A 823 -11.474 27.389 39.784 1.00 30.47 C ATOM 1011 CG LYS A 823 -12.296 26.115 39.724 1.00 31.97 C ATOM 1012 CD LYS A 823 -13.584 26.230 40.516 1.00 33.24 C ATOM 1013 CE LYS A 823 -14.791 26.411 39.619 1.00 36.11 C ATOM 1014 NZ LYS A 823 -16.056 26.296 40.392 1.00 39.96 N ATOM 1015 HZ1 LYS A 823 -16.107 25.355 40.833 1.00 0.00 H ATOM 1016 HZ2 LYS A 823 -16.077 27.028 41.130 1.00 0.00 H ATOM 1017 HZ3 LYS A 823 -16.865 26.424 39.751 1.00 0.00 H ATOM 1018 H LYS A 823 -11.984 27.669 37.264 1.00 0.00 H ATOM 1019 N ILE A 824 -10.315 30.129 38.647 1.00 29.30 N ATOM 1020 CA ILE A 824 -9.482 31.328 38.771 1.00 30.58 C ATOM 1021 C ILE A 824 -10.355 32.583 38.658 1.00 31.94 C ATOM 1022 O ILE A 824 -10.208 33.522 39.446 1.00 33.75 O ATOM 1023 CB ILE A 824 -8.378 31.367 37.685 1.00 29.80 C ATOM 1024 CG1 ILE A 824 -7.347 30.253 37.918 1.00 28.65 C ATOM 1025 CG2 ILE A 824 -7.692 32.730 37.634 1.00 31.06 C ATOM 1026 CD1 ILE A 824 -6.533 30.381 39.187 1.00 29.89 C ATOM 1027 H ILE A 824 -10.139 29.473 37.860 1.00 0.00 H ATOM 1028 N LYS A 825 -11.263 32.569 37.684 1.00 32.01 N ATOM 1029 CA LYS A 825 -12.173 33.689 37.426 1.00 35.83 C ATOM 1030 C LYS A 825 -13.172 33.891 38.573 1.00 37.00 C ATOM 1031 O LYS A 825 -13.351 35.014 39.051 1.00 36.63 O ATOM 1032 CB LYS A 825 -12.904 33.461 36.096 1.00 38.25 C ATOM 1033 CG LYS A 825 -13.847 34.574 35.656 1.00 42.41 C ATOM 1034 CD LYS A 825 -13.138 35.912 35.502 1.00 47.27 C ATOM 1035 CE LYS A 825 -14.102 37.022 35.097 1.00 50.47 C ATOM 1036 NZ LYS A 825 -14.758 36.791 33.777 1.00 51.31 N ATOM 1037 HZ1 LYS A 825 -14.031 36.725 33.037 1.00 0.00 H ATOM 1038 HZ2 LYS A 825 -15.301 35.905 33.811 1.00 0.00 H ATOM 1039 HZ3 LYS A 825 -15.398 37.583 33.566 1.00 0.00 H ATOM 1040 H LYS A 825 -11.330 31.726 37.079 1.00 0.00 H ATOM 1041 N GLU A 826 -13.798 32.806 39.020 1.00 38.59 N ATOM 1042 CA GLU A 826 -14.740 32.848 40.148 1.00 42.34 C ATOM 1043 C GLU A 826 -14.120 33.399 41.432 1.00 44.16 C ATOM 1044 O GLU A 826 -14.777 34.122 42.182 1.00 43.86 O ATOM 1045 CB GLU A 826 -15.307 31.453 40.437 1.00 45.97 C ATOM 1046 CG GLU A 826 -16.393 31.011 39.471 1.00 52.81 C ATOM 1047 CD GLU A 826 -16.897 29.606 39.750 1.00 59.15 C ATOM 1048 OE1 GLU A 826 -17.358 28.944 38.794 1.00 62.07 O ATOM 1049 OE2 GLU A 826 -16.835 29.163 40.919 1.00 59.81 O ATOM 1050 H GLU A 826 -13.614 31.894 38.554 1.00 0.00 H ATOM 1051 N ALA A 827 -12.862 33.047 41.686 1.00 42.47 N ATOM 1052 CA ALA A 827 -12.152 33.514 42.876 1.00 45.53 C ATOM 1053 C ALA A 827 -11.731 34.981 42.772 1.00 47.59 C ATOM 1054 O ALA A 827 -11.436 35.613 43.785 1.00 51.65 O ATOM 1055 CB ALA A 827 -10.934 32.639 43.138 1.00 44.11 C ATOM 1056 H ALA A 827 -12.369 32.421 41.018 1.00 0.00 H ATOM 1057 N GLY A 828 -11.700 35.516 41.554 1.00 48.84 N ATOM 1058 CA GLY A 828 -11.248 36.879 41.318 1.00 50.40 C ATOM 1059 C GLY A 828 -9.751 37.002 41.529 1.00 52.49 C ATOM 1060 O GLY A 828 -9.259 38.061 41.922 1.00 54.42 O ATOM 1061 H GLY A 828 -12.009 34.941 40.744 1.00 0.00 H ATOM 1062 N LEU A 829 -9.024 35.919 41.254 1.00 50.07 N ATOM 1063 CA LEU A 829 -7.587 35.870 41.508 1.00 48.83 C ATOM 1064 C LEU A 829 -6.827 36.650 40.442 1.00 49.58 C ATOM 1065 O LEU A 829 -6.927 36.355 39.248 1.00 46.65 O ATOM 1066 CB LEU A 829 -7.092 34.422 41.550 1.00 45.86 C ATOM 1067 CG LEU A 829 -5.628 34.216 41.949 1.00 45.50 C ATOM 1068 CD1 LEU A 829 -5.410 34.575 43.411 1.00 45.78 C ATOM 1069 CD2 LEU A 829 -5.200 32.783 41.678 1.00 44.70 C ATOM 1070 H LEU A 829 -9.494 35.085 40.847 1.00 0.00 H ATOM 1071 N ILE A 830 -6.064 37.644 40.885 1.00 51.08 N ATOM 1072 CA ILE A 830 -5.272 38.474 39.987 1.00 54.40 C ATOM 1073 C ILE A 830 -3.896 38.735 40.621 1.00 52.14 C ATOM 1074 O ILE A 830 -3.672 38.406 41.789 1.00 50.57 O ATOM 1075 CB ILE A 830 -6.044 39.776 39.637 1.00 59.61 C ATOM 1076 CG1 ILE A 830 -5.449 40.470 38.403 1.00 63.32 C ATOM 1077 CG2 ILE A 830 -6.118 40.717 40.837 1.00 60.38 C ATOM 1078 CD1 ILE A 830 -6.440 41.353 37.675 1.00 65.30 C ATOM 1079 H ILE A 830 -6.031 37.836 41.907 1.00 0.00 H ATOM 1080 N ASP A 831 -2.971 39.284 39.837 1.00 54.08 N ATOM 1081 CA ASP A 831 -1.616 39.578 40.312 1.00 56.14 C ATOM 1082 C ASP A 831 -1.584 40.764 41.279 1.00 55.30 C ATOM 1083 O ASP A 831 -2.610 41.392 41.554 1.00 55.80 O ATOM 1084 CB ASP A 831 -0.683 39.854 39.125 1.00 58.09 C ATOM 1085 CG ASP A 831 -0.602 38.684 38.147 1.00 60.06 C ATOM 1086 OD1 ASP A 831 -0.773 37.521 38.567 1.00 58.91 O ATOM 1087 OD2 ASP A 831 -0.364 38.932 36.947 1.00 65.54 O ATOM 1088 H ASP A 831 -3.218 39.512 38.853 1.00 0.00 H TER 1089 ASP A 831 HETATM 1090 O HOH 1 7.878 21.448 37.011 1.00 43.94 O HETATM 1091 O HOH 2 -1.940 5.110 33.307 1.00 40.97 O HETATM 1092 O HOH 3 15.673 19.695 26.114 1.00 50.41 O HETATM 1093 O HOH 4 -8.684 15.913 22.376 1.00 35.69 O HETATM 1094 O HOH 5 11.371 7.080 32.796 1.00 22.78 O HETATM 1095 O HOH 6 5.049 6.175 27.428 1.00 38.41 O HETATM 1096 O HOH 7 8.710 7.789 26.920 1.00 46.50 O HETATM 1097 O HOH 8 -11.223 15.750 47.058 1.00 40.85 O HETATM 1098 O HOH 9 5.111 1.603 39.391 1.00 31.40 O HETATM 1099 O HOH 10 -2.645 23.968 28.168 1.00 27.01 O HETATM 1100 O HOH 11 1.398 15.325 35.531 1.00 23.77 O HETATM 1101 O HOH 12 -12.884 13.293 31.681 1.00 36.39 O HETATM 1102 O HOH 13 -10.552 8.116 25.469 1.00 42.05 O HETATM 1103 O HOH 14 9.592 19.524 38.259 1.00 34.69 O HETATM 1104 O HOH 15 5.579 15.372 38.879 1.00 19.66 O HETATM 1105 O HOH 16 2.016 1.261 36.405 1.00 23.83 O HETATM 1106 O HOH 17 -2.550 23.146 52.407 1.00 44.12 O HETATM 1107 O HOH 18 6.616 15.657 44.470 1.00 28.75 O HETATM 1108 O HOH 19 -3.927 24.483 55.703 1.00 43.78 O HETATM 1109 O HOH 20 1.859 14.194 31.273 1.00 17.18 O HETATM 1110 O HOH 21 9.997 29.881 41.353 1.00 43.55 O HETATM 1111 O HOH 22 -6.167 17.135 49.184 1.00 51.00 O HETATM 1112 O HOH 23 -15.106 15.326 33.423 1.00 37.36 O HETATM 1113 O HOH 24 -0.892 6.279 39.417 1.00 33.50 O HETATM 1114 O HOH 25 -14.764 30.727 33.001 1.00 48.62 O HETATM 1115 O HOH 26 12.733 16.503 25.723 1.00 41.54 O HETATM 1116 O HOH 27 10.667 18.638 28.343 1.00 36.14 O HETATM 1117 O HOH 28 -10.647 12.570 39.240 1.00 29.95 O HETATM 1118 O HOH 29 6.342 23.858 37.117 1.00 36.53 O HETATM 1119 O HOH 30 5.601 21.277 29.380 1.00 29.88 O HETATM 1120 O HOH 31 -12.021 12.721 28.978 1.00 38.63 O HETATM 1121 O HOH 32 1.295 37.078 40.219 1.00 37.63 O HETATM 1122 O HOH 33 -3.038 31.956 31.484 1.00 31.12 O HETATM 1123 O HOH 34 -15.328 28.181 42.920 1.00 53.52 O HETATM 1124 O HOH 35 -13.296 28.388 31.794 1.00 24.98 O HETATM 1125 O HOH 36 0.502 12.964 36.646 1.00 17.08 O HETATM 1126 O HOH 37 3.897 26.808 32.956 1.00 27.71 O HETATM 1127 O HOH 38 3.637 8.532 41.371 1.00 25.12 O HETATM 1128 O HOH 39 -5.472 9.090 40.016 1.00 29.93 O HETATM 1129 O HOH 40 -0.047 2.566 37.577 1.00 22.94 O HETATM 1130 O HOH 41 4.188 15.697 34.561 1.00 19.96 O HETATM 1131 O HOH 42 2.381 29.234 32.364 1.00 47.93 O HETATM 1132 O HOH 43 12.608 14.768 33.884 1.00 31.37 O HETATM 1133 O HOH 44 -9.461 32.509 34.309 1.00 27.98 O HETATM 1134 O HOH 45 5.889 27.790 39.818 1.00 35.82 O HETATM 1135 O HOH 46 6.117 35.561 41.924 1.00 46.94 O HETATM 1136 O HOH 47 -2.404 15.523 47.633 1.00 44.25 O HETATM 1137 O HOH 48 8.187 27.001 53.913 1.00 39.24 O HETATM 1138 O HOH 49 6.676 25.360 34.819 1.00 45.36 O HETATM 1139 O HOH 50 -8.994 36.446 37.450 1.00 36.19 O HETATM 1140 O HOH 51 -12.958 13.234 42.701 1.00 33.72 O HETATM 1141 O HOH 52 -2.719 37.412 50.959 1.00 50.97 O HETATM 1142 O HOH 53 8.914 20.513 28.470 1.00 35.83 O HETATM 1143 O HOH 54 -10.845 15.278 21.393 1.00 38.83 O HETATM 1144 O HOH 55 3.471 25.395 30.594 1.00 28.69 O HETATM 1145 O HOH 56 8.724 17.842 25.708 1.00 38.91 O HETATM 1146 O HOH 57 -14.496 21.574 32.076 1.00 22.99 O HETATM 1147 O HOH 58 0.569 32.807 51.068 1.00 44.92 O HETATM 1148 O HOH 59 -17.468 25.499 43.993 1.00 35.50 O HETATM 1149 O HOH 60 7.480 23.577 55.140 1.00 41.73 O HETATM 1150 O HOH 61 -14.553 19.975 41.671 1.00 25.09 O HETATM 1151 O HOH 62 14.707 12.782 41.419 1.00 29.72 O HETATM 1152 O HOH 63 7.211 11.662 44.661 1.00 41.65 O HETATM 1153 O HOH 64 -11.504 9.852 32.369 1.00 28.77 O HETATM 1154 O HOH 65 -7.254 21.193 54.867 1.00 51.33 O HETATM 1155 O HOH 66 10.448 25.535 35.760 1.00 47.14 O HETATM 1156 O HOH 67 -0.427 5.435 30.914 1.00 42.26 O HETATM 1157 O HOH 68 7.075 4.243 26.754 1.00 36.83 O HETATM 1158 O HOH 69 -14.868 20.228 27.520 1.00 23.26 O HETATM 1159 O HOH 70 8.166 31.125 46.634 1.00 32.75 O HETATM 1160 O HOH 71 0.649 15.946 33.017 1.00 18.86 O HETATM 1161 O HOH 72 -11.203 17.519 26.134 1.00 20.84 O HETATM 1162 O HOH 73 8.409 19.814 30.981 1.00 28.57 O HETATM 1163 O HOH 74 3.072 9.211 43.998 1.00 45.04 O HETATM 1164 O HOH 75 1.700 36.966 53.231 1.00 58.92 O HETATM 1165 O HOH 76 -6.554 15.659 16.402 1.00 41.76 O HETATM 1166 O HOH 77 -16.080 20.617 34.094 1.00 24.55 O HETATM 1167 O HOH 78 -0.006 30.661 49.278 1.00 34.17 O HETATM 1168 O HOH 79 2.343 5.985 28.517 1.00 39.89 O HETATM 1169 O HOH 80 -12.821 29.428 42.777 1.00 35.60 O HETATM 1170 O HOH 81 0.650 8.714 38.337 1.00 21.18 O HETATM 1171 O HOH 82 -17.673 28.334 33.284 1.00 47.68 O HETATM 1172 O HOH 83 -2.688 14.609 44.998 1.00 34.31 O HETATM 1173 O HOH 84 1.755 28.395 49.132 1.00 26.92 O HETATM 1174 O HOH 85 -1.383 8.161 26.238 1.00 42.04 O HETATM 1175 O HOH 86 -16.111 16.680 37.977 1.00 28.62 O HETATM 1176 O HOH 87 6.806 31.849 51.738 1.00 51.54 O HETATM 1177 O HOH 88 -2.038 21.399 50.424 1.00 36.23 O HETATM 1178 O HOH 89 -16.129 25.618 33.887 1.00 52.20 O HETATM 1179 O HOH 90 2.748 -0.987 32.603 1.00 49.78 O HETATM 1180 O HOH 91 -6.347 7.136 25.297 1.00 36.39 O HETATM 1181 O HOH 92 2.110 36.240 49.145 1.00 46.88 O HETATM 1182 O HOH 93 5.040 13.630 36.636 1.00 16.66 O HETATM 1183 O HOH 94 -9.837 24.900 51.078 1.00 45.08 O HETATM 1184 O HOH 95 -16.965 25.404 36.489 1.00 40.41 O HETATM 1185 O HOH 96 4.611 20.199 54.165 1.00 45.62 O HETATM 1186 O HOH 97 -13.857 39.175 32.265 1.00 49.54 O HETATM 1187 O HOH 98 0.750 25.741 55.351 1.00 45.80 O HETATM 1188 O HOH 99 -11.542 15.886 18.214 1.00 50.81 O HETATM 1189 O HOH 100 2.037 31.952 35.046 1.00 47.02 O HETATM 1190 O HOH 101 -4.196 9.867 44.353 1.00 55.27 O HETATM 1191 O HOH 102 -11.908 29.830 45.544 1.00 49.69 O HETATM 1192 O HOH 103 -9.474 18.068 23.987 1.00 23.49 O HETATM 1193 O HOH 104 -1.570 10.411 38.618 1.00 19.63 O HETATM 1194 O HOH 105 -17.980 14.885 40.627 1.00 57.11 O HETATM 1195 O HOH 106 -1.011 37.381 42.984 1.00 39.53 O HETATM 1196 O HOH 107 -8.952 12.851 41.580 1.00 49.04 O HETATM 1197 O HOH 108 8.014 5.967 38.942 1.00 30.69 O HETATM 1198 O HOH 109 -4.875 30.739 55.686 1.00 49.24 O HETATM 1199 O HOH 110 -4.719 8.341 27.542 1.00 26.09 O HETATM 1200 O HOH 111 -15.747 17.637 42.732 1.00 39.76 O HETATM 1201 O HOH 112 -4.660 11.141 18.652 1.00 36.21 O HETATM 1202 O HOH 113 7.152 18.581 51.843 1.00 37.20 O HETATM 1203 O HOH 114 -5.257 37.773 47.746 1.00 59.71 O HETATM 1204 O HOH 115 12.815 20.281 27.347 1.00 40.13 O HETATM 1205 O HOH 116 -2.679 8.292 40.063 1.00 30.01 O HETATM 1206 O HOH 117 -16.038 22.217 42.477 1.00 32.12 O HETATM 1207 O HOH 118 2.542 8.945 24.074 1.00 52.80 O HETATM 1208 O HOH 119 -17.660 35.056 41.244 1.00 52.78 O HETATM 1209 O HOH 120 7.159 3.266 38.338 1.00 29.14 O HETATM 1210 O HOH 121 -3.821 38.281 53.894 1.00 55.38 O HETATM 1211 O HOH 122 10.331 7.676 42.415 1.00 43.76 O HETATM 1212 O HOH 123 10.442 25.826 29.754 1.00 47.33 O HETATM 1213 O HOH 124 -7.663 28.075 54.587 1.00 57.54 O HETATM 1214 O HOH 125 5.705 25.144 28.488 1.00 47.87 O HETATM 1215 O HOH 126 1.251 27.014 29.144 1.00 37.46 O HETATM 1216 O HOH 127 -4.315 20.753 48.616 1.00 37.66 O HETATM 1217 O HOH 128 5.643 25.991 55.498 1.00 55.03 O HETATM 1218 O HOH 129 -17.816 23.410 40.518 1.00 45.75 O HETATM 1219 O HOH 130 -14.486 12.613 22.915 1.00 53.40 O HETATM 1220 O HOH 131 -12.201 20.130 26.640 1.00 22.09 O HETATM 1221 O HOH 132 -11.853 10.229 39.033 1.00 33.74 O HETATM 1222 O HOH 133 2.833 1.685 29.216 1.00 53.25 O HETATM 1223 O HOH 134 -3.586 37.768 45.268 1.00 52.86 O HETATM 1224 O HOH 135 1.669 37.158 34.638 1.00 44.89 O HETATM 1225 O HOH 136 11.827 15.443 39.228 1.00 34.01 O HETATM 1226 O HOH 137 10.117 23.199 28.306 1.00 38.77 O HETATM 1227 O HOH 138 5.445 14.555 51.790 1.00 41.04 O HETATM 1228 O HOH 139 4.510 13.905 44.927 1.00 42.56 O HETATM 1229 O HOH 140 -12.824 20.907 24.028 1.00 27.61 O HETATM 1230 O HOH 141 3.005 28.233 57.667 1.00 66.16 O HETATM 1231 O HOH 142 -0.905 34.914 36.028 1.00 34.54 O HETATM 1232 O HOH 143 -16.843 34.039 37.312 1.00 46.99 O HETATM 1233 O HOH 144 6.263 6.973 40.875 1.00 51.76 O HETATM 1234 O HOH 145 -0.282 38.027 49.516 1.00 54.41 O HETATM 1235 O HOH 146 -1.988 5.149 28.406 1.00 45.31 O HETATM 1236 O HOH 147 12.686 14.729 41.701 1.00 27.71 O HETATM 1237 O HOH 148 -16.972 16.256 35.397 1.00 38.41 O HETATM 1238 O HOH 149 7.402 29.142 37.960 1.00 39.36 O HETATM 1239 O HOH 150 -8.581 16.880 15.053 1.00 44.17 O HETATM 1240 O HOH 151 -15.717 24.162 31.831 1.00 29.89 O HETATM 1241 O HOH 152 -16.422 19.264 39.500 1.00 37.25 O HETATM 1242 O HOH 153 0.667 12.380 18.618 1.00 54.82 O HETATM 1243 O HOH 154 -4.375 7.410 22.206 1.00 52.36 O HETATM 1244 O HOH 155 -15.453 20.028 23.278 1.00 48.86 O HETATM 1245 O HOH 156 11.615 18.192 39.096 1.00 38.35 O HETATM 1246 O HOH 157 9.784 10.056 45.067 1.00 30.67 O HETATM 1247 O HOH 158 8.745 29.951 53.615 1.00 50.65 O HETATM 1248 O HOH 159 9.612 29.114 48.450 1.00 36.98 O HETATM 1249 O HOH 160 13.116 8.253 41.840 1.00 41.42 O HETATM 1250 O HOH 161 9.634 31.407 44.194 1.00 47.63 O HETATM 1251 O HOH 162 4.416 33.533 52.477 1.00 48.46 O HETATM 1252 O HOH 163 -13.317 15.936 25.520 1.00 29.32 O HETATM 1253 O HOH 164 -7.296 7.021 39.214 1.00 33.54 O HETATM 1254 O HOH 165 0.286 1.783 40.291 1.00 37.57 O HETATM 1255 O HOH 166 -15.851 20.207 30.098 1.00 29.82 O HETATM 1256 O HOH 167 0.205 5.879 26.760 1.00 46.36 O HETATM 1257 O HOH 168 -18.135 21.061 38.117 1.00 50.97 O HETATM 1258 O HOH 169 11.638 27.370 34.179 1.00 51.79 O HETATM 1259 O HOH 170 -13.667 13.509 27.006 1.00 30.27 O HETATM 1260 O HOH 171 -1.912 7.263 23.640 1.00 37.25 O HETATM 1261 O HOH 172 -3.147 12.434 16.020 1.00 50.92 O HETATM 1262 O HOH 173 -13.166 15.310 22.727 1.00 35.01 O HETATM 1263 O HOH 174 -1.412 38.635 46.926 1.00 54.61 O HETATM 1264 O HOH 175 2.917 1.295 41.594 1.00 38.20 O HETATM 1265 O HOH 176 -15.675 17.552 26.264 1.00 38.15 O HETATM 1266 O HOH 177 -16.966 17.561 30.574 1.00 45.14 O HETATM 1267 O HOH 178 1.601 6.836 20.649 1.00 39.21 O HETATM 1268 O HOH 179 1.281 41.119 48.796 1.00 43.38 O HETATM 1269 O HOH 180 1.619 4.577 24.394 1.00 46.58 O HETATM 1270 O HOH 181 7.856 26.487 58.286 1.00 52.88 O HETATM 1271 C01 UNN A 182 -1.633 8.574 35.147 1.00 -0.03 C HETATM 1272 N05 UNN A 182 -1.266 9.758 34.371 1.00 -0.37 N HETATM 1273 C07 UNN A 182 -0.527 9.723 33.250 1.00 0.06 C HETATM 1274 C08 UNN A 182 -0.004 8.491 32.736 1.00 0.08 C HETATM 1275 N10 UNN A 182 0.695 8.379 31.647 1.00 -0.14 N HETATM 1276 N11 UNN A 182 0.958 9.517 30.939 1.00 -0.13 N HETATM 1277 C12 UNN A 182 1.747 9.315 29.727 1.00 0.07 C HETATM 1278 H5 UNN A 182 1.906 10.282 29.228 1.00 0.06 H HETATM 1279 H6 UNN A 182 1.210 8.636 29.048 1.00 0.06 H HETATM 1280 H7 UNN A 182 2.720 8.874 29.992 1.00 0.06 H HETATM 1281 C16 UNN A 182 0.530 10.781 31.260 1.00 0.27 C HETATM 1282 O17 UNN A 182 0.809 11.745 30.554 1.00 -0.37 O HETATM 1283 C18 UNN A 182 -0.254 10.841 32.466 1.00 0.19 C HETATM 1284 CL1 UNN A 182 -0.836 12.395 32.942 1.00 -0.07 CL HETATM 1285 H8 UNN A 182 -1.171 10.653 31.888 1.00 0.10 H HETATM 1286 H4 UNN A 182 -0.208 7.582 33.300 1.00 0.08 H HETATM 1287 H1 UNN A 182 -2.238 8.877 36.014 1.00 0.03 H HETATM 1288 H2 UNN A 182 -0.721 8.067 35.495 1.00 0.03 H HETATM 1289 H3 UNN A 182 -2.216 7.888 34.515 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1271 1272 1287 1288 1289 CONECT 1272 1271 1273 CONECT 1273 1272 1274 1283 CONECT 1274 1273 1275 1286 CONECT 1275 1274 1276 CONECT 1276 1275 1277 1281 CONECT 1277 1276 1278 1279 1280 CONECT 1278 1277 CONECT 1279 1277 CONECT 1280 1277 CONECT 1281 1276 1282 1283 CONECT 1282 1281 CONECT 1283 1273 1281 1284 1285 CONECT 1284 1283 CONECT 1285 1283 CONECT 1286 1274 CONECT 1287 1271 CONECT 1288 1271 CONECT 1289 1271 MASTER 0 0 0 0 0 0 0 0 1288 1 23 9 END
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Related entries of code: 5mkx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5mli
RCSB PDB
PDBbind
82I
Entry Information
PDB ID
5mkx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone acetyltransferase KAT2B
Ligand Name
82I
EC.Number
E.C.2.3.1.48
Resolution
1.68(Å)
Affinity (Kd/Ki/IC50)
IC50=20uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 695-709
Ligand Properties
Formula
C
6
H
8
ClN
3
O
Molecular Weight
173.600
Exact Mass
173.036
No. of atoms
19
No. of bonds
19
Polar Surface Area
45.03
LOGP Value
0.18 (
Computed with XLOGP3
)
-0.50 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
C/N=C/1\C=NN(C(=O)[C@@H]1Cl)C
InChI String
InChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,5H,1-2H3/b8-4+/t5-/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):
Q92831
Entrez Gene ID
NCBI Entrez Gene ID:
8850
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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