Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 8.A N PRO 5.A O no hydrogen 3.019 N/A SER 9.A N.A TRP 6.A O no hydrogen 3.342 N/A SER 9.A N.B TRP 6.A O no hydrogen 3.323 N/A SER 9.A OG.A TRP 6.A O no hydrogen 3.512 N/A SER 9.A OG.B SER 477.A OG no hydrogen 3.276 N/A VAL 11.A N ASP 47.A OD2 no hydrogen 2.769 N/A PHE 12.A N PRO 361.A O no hydrogen 2.975 N/A TYR 13.A N ALA 48.A O no hydrogen 2.892 N/A TYR 13.A OH GLU 368.A OE1 no hydrogen 3.409 N/A TYR 13.A OH GLU 368.A OE2 no hydrogen 2.570 N/A GLN 14.A N ILE 363.A O no hydrogen 2.797 N/A GLN 14.A NE2 ASN 52.A OD1 no hydrogen 2.962 N/A GLN 14.A NE2 HIS 326.A ND1 no hydrogen 2.918 N/A VAL 15.A N TRP 50.A O no hydrogen 2.839 N/A TYR 16.A N GLN 365.A OE1 no hydrogen 2.754 N/A TYR 16.A OH ASN 62.A OD1 no hydrogen 3.157 N/A SER 19.A N TYR 16.A O no hydrogen 2.864 N/A SER 19.A OG ARG 418.A O no hydrogen 2.717 N/A PHE 20.A N PRO 17.A O no hydrogen 3.100 N/A LYS 21.A NZ GLY 430.A O no hydrogen 2.749 N/A ASP 22.A N PHE 431.A O no hydrogen 3.004 N/A THR 23.A N ASP 30.A OD2 no hydrogen 3.001 N/A THR 23.A OG1 ASP 30.A OD1 no hydrogen 2.653 N/A THR 23.A OG1 ASP 30.A OD2 no hydrogen 3.388 N/A ASN 24.A N ASP 22.A OD1 no hydrogen 3.103 N/A GLY 27.A N ASP 22.A OD2 no hydrogen 2.846 N/A ILE 28.A N ASP 26.A OD1 no hydrogen 3.009 N/A GLY 29.A N ARG 18.A O no hydrogen 2.775 N/A ASP 30.A N LYS 21.A O no hydrogen 3.001 N/A PHE 31.A N TYR 76.A O no hydrogen 2.800 N/A LYS 32.A NZ ASP 81.A OD1 no hydrogen 2.776 N/A LYS 32.A NZ ASP 81.A OD2 no hydrogen 3.334 N/A GLY 33.A N ASP 30.A OD1 no hydrogen 2.920 N/A LEU 34.A N ASP 30.A O no hydrogen 3.118 N/A THR 35.A N PHE 31.A O no hydrogen 2.872 N/A THR 35.A OG1 PHE 31.A O no hydrogen 2.851 N/A GLU 36.A N LYS 32.A O no hydrogen 2.961 N/A LYS 37.A N LEU 34.A O no hydrogen 3.021 N/A LEU 38.A N THR 35.A O no hydrogen 3.263 N/A TYR 40.A OH GLU 368.A OE2 no hydrogen 2.701 N/A LEU 41.A N LYS 37.A O no hydrogen 3.236 N/A LYS 42.A N LEU 38.A O no hydrogen 2.754 N/A LYS 42.A NZ ARG 92.A O no hydrogen 2.977 N/A GLY 43.A N ASP 39.A O no hydrogen 2.823 N/A LEU 44.A N TYR 40.A O no hydrogen 3.106 N/A GLY 45.A N LEU 41.A O no hydrogen 3.169 N/A GLY 45.A N LYS 42.A O no hydrogen 2.974 N/A ILE 46.A N LEU 41.A O no hydrogen 3.159 N/A ASP 47.A N VAL 11.A O no hydrogen 2.999 N/A ALA 48.A N VAL 11.A O no hydrogen 3.460 N/A ILE 49.A N.A ARG 95.A O no hydrogen 2.934 N/A ILE 49.A N.B ARG 95.A O no hydrogen 2.934 N/A TRP 50.A N TYR 13.A O no hydrogen 2.940 N/A ILE 51.A N MET 97.A O no hydrogen 2.914 N/A ASN 52.A N VAL 15.A O no hydrogen 3.126 N/A ASN 52.A ND2 TYR 64.A OH no hydrogen 2.761 N/A TYR 55.A OH ASP 99.A O no hydrogen 2.590 N/A ALA 56.A N GLU 71.A O no hydrogen 2.893 N/A SER 57.A OG ASP 65.A O no hydrogen 2.656 N/A SER 57.A OG ASP 65.A OD1 no hydrogen 3.027 N/A ASN 59.A N SER 57.A OG no hydrogen 2.878 N/A THR 60.A N ASP 65.A OD2 no hydrogen 2.822 N/A THR 60.A OG1 ASP 65.A OD2 no hydrogen 2.578 N/A ASP 61.A N ASP 65.A OD1 no hydrogen 3.067 N/A ASN 62.A ND2 ASN 59.A O no hydrogen 3.553 N/A TYR 64.A N ASP 61.A O no hydrogen 3.085 N/A TYR 64.A OH ASP 99.A OD2 no hydrogen 2.642 N/A TYR 64.A OH HIS 326.A NE2 no hydrogen 3.136 N/A SER 67.A N ALA 56.A O no hydrogen 2.881 N/A SER 67.A OG ALA 56.A O no hydrogen 3.227 N/A TYR 69.A OH VAL 101.A O no hydrogen 2.886 N/A ARG 70.A N ASP 68.A OD1 no hydrogen 2.953 N/A GLU 71.A N ASP 68.A O no hydrogen 3.498 N/A MET 73.A N HIS 54.A O no hydrogen 2.780 N/A TYR 76.A N MET 73.A O no hydrogen 2.987 N/A GLY 77.A N MET 73.A O no hydrogen 3.286 N/A GLY 77.A N LYS 74.A O no hydrogen 3.243 N/A THR 78.A N ASP 81.A OD2 no hydrogen 2.922 N/A THR 78.A OG1 ASP 81.A OD2 no hydrogen 3.322 N/A ASP 81.A N THR 78.A OG1 no hydrogen 3.395 N/A PHE 82.A N THR 78.A O no hydrogen 3.074 N/A ASP 83.A N MET 79.A O no hydrogen 2.755 N/A ARG 84.A N GLU 80.A O no hydrogen 2.897 N/A ARG 84.A NH1 ASP 81.A OD1 no hydrogen 2.932 N/A LEU 85.A N ASP 81.A O no hydrogen 2.918 N/A MET 86.A N.A PHE 82.A O no hydrogen 2.997 N/A MET 86.A N.B PHE 82.A O no hydrogen 3.005 N/A ALA 87.A N ASP 83.A O no hydrogen 2.948 N/A GLU 88.A N ARG 84.A O no hydrogen 2.878 N/A LEU 89.A N LEU 85.A O no hydrogen 2.969 N/A LYS 90.A N MET 86.A O.A no hydrogen 3.040 N/A LYS 90.A N MET 86.A O.B no hydrogen 3.024 N/A LYS 91.A N ALA 87.A O no hydrogen 2.947 N/A LYS 91.A NZ GLU 88.A OE2 no hydrogen 3.231 N/A ARG 92.A N LEU 89.A O no hydrogen 3.002 N/A ARG 92.A NE ASP 39.A OD1 no hydrogen 2.869 N/A ARG 92.A NH1 GLU 88.A O no hydrogen 2.919 N/A ARG 92.A NH1 GLU 88.A OE1 no hydrogen 2.747 N/A ARG 92.A NH2 ASP 39.A OD1 no hydrogen 2.939 N/A GLY 93.A N LYS 90.A O no hydrogen 2.822 N/A MET 94.A N.A LEU 89.A O no hydrogen 2.839 N/A MET 94.A N.B LEU 89.A O no hydrogen 2.847 N/A ARG 95.A N ASP 47.A O no hydrogen 3.094 N/A MET 97.A N ILE 49.A O.A no hydrogen 2.643 N/A MET 97.A N ILE 49.A O.B no hydrogen 2.644 N/A VAL 98.A N GLY 196.A O no hydrogen 2.987 N/A VAL 100.A N ARG 198.A O no hydrogen 2.747 N/A ASN 103.A ND2 HIS 104.A ND1 no hydrogen 2.885 N/A ASN 103.A ND2 ASP 170.A OD2 no hydrogen 3.014 N/A SER 105.A N PRO 169.A O no hydrogen 3.168 N/A SER 105.A OG SER 106.A O no hydrogen 2.949 N/A SER 105.A OG TYR 127.A OH no hydrogen 2.756 N/A SER 106.A N ILE 66.A O no hydrogen 2.810 N/A SER 106.A OG ASP 107.A OD1 no hydrogen 3.555 N/A ASP 107.A N GLN 167.A O no hydrogen 3.008 N/A GLN 108.A N SER 106.A OG no hydrogen 2.823 N/A GLN 108.A NE2 ASP 107.A OD1 no hydrogen 3.043 N/A HIS 109.A N SER 106.A O no hydrogen 3.164 N/A TRP 111.A N HIS 109.A ND1 no hydrogen 2.903 N/A LYS 113.A N HIS 109.A O no hydrogen 3.127 N/A SER 114.A N GLU 110.A O no hydrogen 3.085 N/A SER 114.A OG GLU 110.A O no hydrogen 3.121 N/A SER 115.A N TRP 111.A O no hydrogen 2.780 N/A SER 115.A OG TYR 123.A O no hydrogen 2.891 N/A SER 115.A OG ARG 124.A O no hydrogen 2.958 N/A ARG 116.A N PHE 112.A O no hydrogen 2.931 N/A ARG 116.A NE ASP 153.A OD2 no hydrogen 2.654 N/A ARG 116.A NH1 ASP 153.A OD1 no hydrogen 2.760 N/A ARG 116.A NH1 ASP 153.A OD2 no hydrogen 3.207 N/A ALA 117.A N SER 114.A O no hydrogen 3.030 N/A SER 118.A OG ASP 120.A OD1 no hydrogen 2.459 N/A ASN 121.A N SER 118.A O no hydrogen 3.276 N/A TYR 123.A N ASN 121.A OD1 no hydrogen 2.809 N/A ARG 124.A N ASN 121.A O no hydrogen 2.927 N/A ARG 124.A NH1 SER 115.A O no hydrogen 3.022 N/A ARG 124.A NH2 THR 156.A OG1 no hydrogen 2.993 N/A ARG 124.A NH2 GLN 158.A OE1 no hydrogen 2.722 N/A TYR 126.A N TYR 123.A O no hydrogen 3.108 N/A TYR 126.A OH GLU 181.A OE2 no hydrogen 2.552 N/A TYR 127.A N ARG 124.A O no hydrogen 3.464 N/A TYR 127.A OH SER 105.A OG no hydrogen 2.756 N/A TRP 129.A NE1 SER 115.A OG no hydrogen 2.790 N/A ARG 130.A N TYR 159.A O no hydrogen 2.813 N/A ARG 130.A NH1 TRP 129.A O no hydrogen 2.788 N/A LYS 133.A N HIS 136.A O no hydrogen 2.868 N/A LYS 133.A N GLU 137.A O no hydrogen 3.281 N/A HIS 136.A N LYS 133.A O no hydrogen 2.736 N/A ASN 139.A ND2 PHE 211.A O no hydrogen 2.928 N/A ASN 139.A ND2 PRO 212.A O no hydrogen 3.539 N/A ASN 140.A N ASP 213.A OD1 no hydrogen 2.842 N/A ASN 140.A ND2 LEU 214.A O no hydrogen 3.007 N/A TYR 141.A N ASN 139.A OD1 no hydrogen 2.868 N/A SER 143.A N GLY 147.A O no hydrogen 2.830 N/A SER 143.A OG TYR 163.A O no hydrogen 3.025 N/A SER 143.A OG PHE 164.A O no hydrogen 2.564 N/A PHE 144.A N TYR 163.A O no hydrogen 2.745 N/A PHE 145.A N SER 143.A OG no hydrogen 3.057 N/A GLY 146.A N SER 143.A O no hydrogen 3.317 N/A GLY 147.A N ASP 393.A OD1 no hydrogen 2.839 N/A SER 148.A OG TRP 150.A O no hydrogen 3.417 N/A ALA 149.A N TYR 141.A O no hydrogen 2.936 N/A TRP 150.A N SER 148.A OG no hydrogen 2.946 N/A TRP 150.A NE1 ASN 139.A OD1 no hydrogen 2.769 N/A GLU 151.A N TYR 160.A O no hydrogen 2.930 N/A ASP 153.A N GLN 158.A O no hydrogen 2.868 N/A VAL 155.A N ASP 153.A OD1 no hydrogen 3.104 N/A THR 156.A N ASP 153.A O no hydrogen 3.204 N/A GLY 157.A N ASP 153.A O no hydrogen 2.704 N/A GLN 158.A N THR 156.A OG1 no hydrogen 3.404 N/A GLN 158.A NE2 ASP 131.A OD1 no hydrogen 2.763 N/A TYR 159.A N ARG 130.A O no hydrogen 2.819 N/A TYR 160.A N GLU 151.A O no hydrogen 2.828 N/A TYR 160.A OH ARG 166.A O no hydrogen 2.466 N/A LEU 161.A N PHE 128.A O no hydrogen 3.065 N/A HIS 162.A N ALA 149.A O no hydrogen 2.726 N/A HIS 162.A ND1 PHE 164.A O no hydrogen 2.776 N/A TYR 163.A N ASP 170.A OD1 no hydrogen 2.747 N/A GLY 165.A N GLN 168.A OE1 no hydrogen 2.937 N/A ARG 166.A NH1 GLN 392.A OE1 no hydrogen 3.300 N/A ARG 166.A NH2 GLN 392.A OE1 no hydrogen 3.021 N/A GLN 168.A N GLY 165.A O no hydrogen 2.900 N/A GLN 168.A NE2 ASP 61.A OD2 no hydrogen 2.972 N/A GLN 168.A NE2 TYR 64.A O no hydrogen 3.127 N/A ASP 170.A N LEU 161.A O no hydrogen 2.874 N/A LEU 171.A N ASN 103.A O no hydrogen 2.798 N/A ASN 172.A N TYR 126.A O no hydrogen 2.810 N/A ASN 172.A ND2 TYR 127.A O no hydrogen 3.293 N/A TRP 173.A NE1 ILE 102.A O no hydrogen 2.922 N/A ASP 174.A N ASN 172.A OD1 no hydrogen 2.902 N/A THR 175.A N ASN 172.A O no hydrogen 3.106 N/A THR 175.A OG1 ASP 125.A O no hydrogen 2.578 N/A ARG 179.A N THR 175.A O no hydrogen 3.045 N/A ARG 179.A NE GLU 238.A OE1 no hydrogen 2.706 N/A ARG 179.A NH1 TRP 173.A O no hydrogen 2.682 N/A ARG 179.A NH2 GLU 238.A OE2 no hydrogen 3.475 N/A GLU 180.A N PRO 176.A O no hydrogen 2.925 N/A GLU 181.A N LYS 177.A O no hydrogen 3.124 N/A LEU 182.A N LEU 178.A O no hydrogen 2.990 N/A TYR 183.A N ARG 179.A O no hydrogen 2.913 N/A TYR 183.A OH GLU 238.A OE1 no hydrogen 2.558 N/A ALA 184.A N GLU 180.A O no hydrogen 3.025 N/A MET 185.A N GLU 181.A O no hydrogen 3.048 N/A LEU 186.A N LEU 182.A O no hydrogen 2.944 N/A ARG 187.A N TYR 183.A O no hydrogen 3.001 N/A ARG 187.A NH2 LYS 242.A O no hydrogen 3.049 N/A PHE 188.A N ALA 184.A O no hydrogen 3.027 N/A TRP 189.A N MET 185.A O no hydrogen 3.453 N/A TRP 189.A NE1 TYR 69.A O no hydrogen 2.762 N/A LEU 190.A N LEU 186.A O no hydrogen 2.885 N/A ASP 191.A N ARG 187.A O no hydrogen 2.802 N/A LYS 192.A N TRP 189.A O no hydrogen 3.134 N/A LYS 192.A NZ ASP 83.A OD1 no hydrogen 2.821 N/A GLY 193.A N LEU 190.A O no hydrogen 3.015 N/A SER 195.A N LEU 96.A O no hydrogen 2.972 N/A MET 197.A N VAL 250.A O no hydrogen 2.932 N/A ARG 198.A N VAL 98.A O no hydrogen 2.832 N/A ARG 198.A NH1 ASP 99.A OD1 no hydrogen 2.789 N/A ARG 198.A NH1 ASP 200.A OD1 no hydrogen 3.098 N/A PHE 199.A N ALA 252.A O no hydrogen 2.735 N/A ASP 200.A N VAL 100.A O no hydrogen 2.929 N/A THR 201.A N GLU 254.A OE2 no hydrogen 2.651 N/A THR 201.A OG1 THR 204.A OG1 no hydrogen 2.653 N/A VAL 202.A N GLU 254.A O no hydrogen 3.133 N/A THR 204.A N THR 201.A O no hydrogen 3.244 N/A THR 204.A OG1 ASN 103.A OD1 no hydrogen 2.892 N/A THR 204.A OG1 THR 201.A O no hydrogen 2.958 N/A THR 204.A OG1 THR 201.A OG1 no hydrogen 2.653 N/A LYS 207.A NZ ASP 170.A OD2 no hydrogen 2.790 N/A LYS 207.A NZ THR 204.A O no hydrogen 2.816 N/A PHE 211.A N THR 208.A O no hydrogen 3.051 N/A LEU 214.A N ASN 140.A OD1 no hydrogen 2.821 N/A THR 215.A N GLN 218.A OE1 no hydrogen 2.847 N/A GLN 218.A N THR 215.A OG1 no hydrogen 3.041 N/A MET 219.A N.A THR 215.A O no hydrogen 2.786 N/A MET 219.A N.B THR 215.A O no hydrogen 2.789 N/A LYS 220.A N GLU 217.A O no hydrogen 2.967 N/A ASN 221.A N GLN 218.A O no hydrogen 3.055 N/A GLU 224.A N ASN 221.A O no hydrogen 3.183 N/A TYR 226.A N PHE 222.A O no hydrogen 3.014 N/A TYR 226.A OH PRO 142.A O no hydrogen 2.653 N/A THR 227.A N GLU 224.A O no hydrogen 3.010 N/A THR 227.A OG1 GLU 224.A O no hydrogen 2.573 N/A THR 227.A OG1 GLN 228.A OE1 no hydrogen 2.876 N/A GLN 228.A N ALA 225.A O no hydrogen 3.153 N/A GLN 228.A NE2 GLN 262.A OE1 no hydrogen 3.061 N/A ASN 231.A N SER 206.A OG no hydrogen 2.944 N/A LEU 232.A N GLY 229.A O no hydrogen 3.426 N/A HIS 233.A ND1 GLU 273.A OE1 no hydrogen 2.566 N/A TYR 235.A N ASN 231.A O no hydrogen 3.003 N/A TYR 235.A OH ASP 174.A OD1 no hydrogen 2.436 N/A LEU 236.A N LEU 232.A O no hydrogen 3.009 N/A GLN 237.A N HIS 233.A O no hydrogen 2.857 N/A GLN 237.A NE2 GLU 273.A OE2 no hydrogen 2.961 N/A GLU 238.A N ARG 234.A O no hydrogen 2.950 N/A MET 239.A N TYR 235.A O no hydrogen 2.940 N/A HIS 240.A N LEU 236.A O no hydrogen 2.984 N/A HIS 240.A ND1 GLU 273.A O no hydrogen 3.075 N/A GLU 241.A N GLN 237.A O no hydrogen 2.961 N/A LYS 242.A N GLU 238.A O no hydrogen 2.769 N/A VAL 243.A N MET 239.A O no hydrogen 2.842 N/A ASP 245.A N HIS 240.A O no hydrogen 2.851 N/A HIS 246.A N VAL 243.A O no hydrogen 2.938 N/A TYR 247.A N PHE 244.A O no hydrogen 3.142 N/A TYR 247.A OH ASP 191.A OD1 no hydrogen 2.598 N/A VAL 250.A N SER 195.A O no hydrogen 2.898 N/A THR 251.A N ASP 275.A OD2 no hydrogen 2.970 N/A THR 251.A OG1 ASP 275.A OD2 no hydrogen 3.390 N/A ALA 252.A N MET 197.A O no hydrogen 2.916 N/A GLY 253.A N MET 276.A O no hydrogen 3.009 N/A GLU 254.A N PHE 199.A O no hydrogen 2.933 N/A ILE 255.A N PHE 278.A O no hydrogen 3.034 N/A GLN 262.A N PRO 259.A O no hydrogen 2.999 N/A GLN 262.A NE2 GLN 228.A OE1 no hydrogen 2.985 N/A VAL 263.A N LEU 260.A O no hydrogen 3.002 N/A LEU 265.A N GLN 262.A O no hydrogen 3.012 N/A PHE 266.A N VAL 263.A O no hydrogen 2.980 N/A ILE 267.A N VAL 263.A O no hydrogen 3.327 N/A ASP 268.A N PRO 264.A O no hydrogen 2.919 N/A SER 269.A N TYR 316.A O no hydrogen 2.837 N/A SER 269.A OG TYR 316.A O no hydrogen 3.278 N/A ARG 270.A N ASP 268.A OD1 no hydrogen 2.920 N/A ARG 270.A NE ASP 268.A OD1 no hydrogen 2.907 N/A ARG 270.A NH2 ASP 268.A OD2 no hydrogen 2.654 N/A ARG 271.A N ASP 268.A O no hydrogen 2.924 N/A ARG 271.A NE LEU 265.A O no hydrogen 2.654 N/A ARG 271.A NE GLU 273.A OE2 no hydrogen 3.119 N/A ARG 271.A NH2 GLU 273.A OE2 no hydrogen 2.829 N/A LYS 272.A N SER 269.A O no hydrogen 3.306 N/A LEU 274.A N PHE 266.A O no hydrogen 2.818 N/A ASP 275.A N THR 251.A O no hydrogen 2.969 N/A ASP 275.A N THR 251.A OG1 no hydrogen 2.997 N/A MET 276.A N THR 251.A O no hydrogen 3.030 N/A ALA 277.A N TRP 318.A O no hydrogen 3.313 N/A PHE 278.A N GLY 253.A O no hydrogen 2.816 N/A ARG 284.A N PHE 280.A O no hydrogen 2.888 N/A ARG 284.A NE ASN 328.A OD1 no hydrogen 2.681 N/A ARG 284.A NH2 ASP 327.A O no hydrogen 3.203 N/A ARG 284.A NH2 ASN 328.A OD1 no hydrogen 3.338 N/A TYR 285.A N LEU 282.A O no hydrogen 2.963 N/A ARG 287.A N ARG 284.A O no hydrogen 3.058 N/A ARG 287.A NH1 ARG 291.A O no hydrogen 2.946 N/A ALA 288.A N HIS 293.A O no hydrogen 2.812 N/A ARG 291.A N ALA 288.A O no hydrogen 2.792 N/A ARG 291.A NH2 PHE 144.A O no hydrogen 2.798 N/A ARG 291.A NH2 GLU 386.A OE2 no hydrogen 3.233 N/A TRP 292.A N ASP 290.A OD1 no hydrogen 2.870 N/A HIS 293.A N ASP 290.A OD1 no hydrogen 3.031 N/A HIS 293.A ND1 ASP 290.A OD2 no hydrogen 2.657 N/A ILE 295.A N ASP 286.A O no hydrogen 2.760 N/A ARG 297.A NE TYR 285.A O no hydrogen 2.802 N/A THR 298.A N ASP 301.A OD2 no hydrogen 2.877 N/A THR 298.A OG1 ASP 301.A OD2 no hydrogen 3.440 N/A ALA 300.A N THR 298.A OG1 no hydrogen 3.001 N/A PHE 302.A N THR 298.A O no hydrogen 3.079 N/A ARG 303.A N LEU 299.A O no hydrogen 2.829 N/A ARG 303.A NE ASP 483.A OD1 no hydrogen 3.284 N/A ARG 303.A NE ASP 483.A OD2 no hydrogen 3.136 N/A ARG 303.A NH1 ASN 488.A O no hydrogen 2.745 N/A ARG 303.A NH1 VAL 491.A O no hydrogen 2.794 N/A ARG 303.A NH2 ASP 483.A OD1 no hydrogen 2.800 N/A GLN 304.A N ALA 300.A O no hydrogen 3.002 N/A GLN 304.A NE2 PRO 486.A O no hydrogen 2.890 N/A THR 305.A N ASP 301.A O no hydrogen 2.989 N/A THR 305.A N PHE 302.A O no hydrogen 3.218 N/A THR 305.A OG1 ASP 301.A O no hydrogen 2.841 N/A ILE 306.A N PHE 302.A O no hydrogen 3.095 N/A ASP 307.A N ARG 303.A O no hydrogen 2.795 N/A LYS 308.A N GLN 304.A O no hydrogen 3.049 N/A VAL 309.A N THR 305.A O no hydrogen 2.956 N/A ASP 310.A N ILE 306.A O no hydrogen 2.798 N/A ALA 311.A N ASP 307.A O no hydrogen 3.001 N/A ILE 312.A N LYS 308.A O no hydrogen 3.200 N/A ALA 313.A N ASP 310.A O no hydrogen 3.106 N/A GLY 314.A N ALA 311.A O no hydrogen 3.110 N/A GLY 317.A N ALA 313.A O no hydrogen 2.842 N/A TRP 318.A NE1 THR 360.A OG1 no hydrogen 2.784 N/A ASN 319.A ND2 VAL 309.A O no hydrogen 3.002 N/A THR 320.A N ALA 277.A O no hydrogen 3.106 N/A THR 320.A OG1 ALA 277.A O no hydrogen 2.996 N/A PHE 321.A N THR 360.A O no hydrogen 2.801 N/A ASP 327.A N ASN 325.A OD1 no hydrogen 2.770 N/A ASN 328.A N ASN 325.A O no hydrogen 3.496 N/A ASN 328.A ND2 ASN 325.A OD1 no hydrogen 2.888 N/A ARG 330.A N ASN 373.A OD1 no hydrogen 2.911 N/A ARG 330.A NH1 GLN 365.A O no hydrogen 2.750 N/A ARG 330.A NH1 ASP 367.A OD1 no hydrogen 2.860 N/A ARG 330.A NH2 GLN 365.A O no hydrogen 3.001 N/A SER 333.A OG ASP 338.A OD2 no hydrogen 2.568 N/A HIS 334.A N ARG 330.A O no hydrogen 2.841 N/A HIS 334.A NE2 ASP 286.A OD1 no hydrogen 2.791 N/A HIS 334.A NE2 ASP 286.A OD2 no hydrogen 2.959 N/A PHE 335.A N ALA 331.A O no hydrogen 2.804 N/A GLY 336.A N ALA 331.A O no hydrogen 3.390 N/A ASP 337.A N SER 346.A OG no hydrogen 2.916 N/A ARG 339.A N ASP 337.A OD1 no hydrogen 3.051 N/A ARG 339.A NE ASP 337.A OD1 no hydrogen 2.934 N/A ARG 339.A NE ASP 337.A OD2 no hydrogen 3.268 N/A ARG 339.A NH2 ASP 337.A OD2 no hydrogen 2.779 N/A GLN 341.A N GLN 341.A OE1 no hydrogen 2.773 N/A TRP 342.A N ARG 339.A O no hydrogen 2.980 N/A ARG 343.A N ARG 339.A O no hydrogen 2.855 N/A ARG 343.A NH1 GLY 370.A O no hydrogen 3.179 N/A SER 346.A N TRP 342.A O no hydrogen 2.879 N/A SER 346.A OG ASP 337.A O no hydrogen 3.074 N/A SER 346.A OG TRP 342.A O no hydrogen 3.048 N/A SER 346.A OG ARG 343.A O no hydrogen 3.421 N/A ALA 347.A N ARG 343.A O no hydrogen 2.895 N/A LYS 348.A N GLU 344.A O no hydrogen 3.007 N/A LYS 348.A NZ LYS 457.A O no hydrogen 2.686 N/A ALA 349.A N ALA 345.A O no hydrogen 3.039 N/A LEU 350.A N SER 346.A O no hydrogen 2.895 N/A ALA 351.A N ALA 347.A O no hydrogen 3.066 N/A THR 352.A N LYS 348.A O no hydrogen 3.017 N/A THR 352.A OG1 LYS 348.A O no hydrogen 3.263 N/A THR 352.A OG1 SER 551.A OG no hydrogen 2.753 N/A VAL 353.A N ALA 349.A O no hydrogen 3.177 N/A THR 354.A N LEU 350.A O no hydrogen 2.901 N/A THR 354.A OG1 LEU 350.A O no hydrogen 2.872 N/A LEU 355.A N ALA 351.A O no hydrogen 2.946 N/A THR 356.A N VAL 353.A O no hydrogen 3.167 N/A THR 356.A OG1 THR 352.A O no hydrogen 2.628 N/A THR 356.A OG1 VAL 353.A O no hydrogen 3.393 N/A THR 356.A OG1 TYR 494.A OH no hydrogen 2.433 N/A GLN 357.A NE2 TYR 492.A OH no hydrogen 3.212 N/A GLN 357.A NE2 TYR 494.A OH no hydrogen 3.221 N/A ARG 358.A NH1.A ASP 310.A O no hydrogen 3.212 N/A ARG 358.A NH1.B ASP 310.A OD1 no hydrogen 3.391 N/A THR 360.A N ASN 319.A O no hydrogen 2.867 N/A THR 360.A OG1 TRP 7.A O no hydrogen 2.679 N/A PHE 362.A N PHE 321.A O no hydrogen 2.884 N/A ILE 363.A N PHE 12.A O no hydrogen 2.880 N/A GLN 365.A N GLN 14.A O no hydrogen 3.043 N/A GLN 365.A NE2 TYR 16.A O no hydrogen 3.621 N/A GLN 365.A NE2 SER 19.A O no hydrogen 3.302 N/A GLY 366.A N GLU 368.A OE1 no hydrogen 2.858 N/A ASP 367.A N PHE 364.A O no hydrogen 2.906 N/A GLU 368.A N GLU 368.A OE1 no hydrogen 2.678 N/A LEU 369.A N GLY 366.A O no hydrogen 2.909 N/A GLY 370.A N ASP 367.A O no hydrogen 3.029 N/A MET 371.A N GLY 366.A O no hydrogen 3.146 N/A THR 372.A OG1 ASN 373.A O no hydrogen 2.998 N/A ASN 373.A N SER 333.A OG no hydrogen 2.886 N/A ASN 373.A ND2 LEU 411.A O no hydrogen 3.530 N/A TYR 374.A N ASN 416.A OD1 no hydrogen 2.942 N/A PHE 376.A N TYR 374.A O no hydrogen 3.110 N/A LYS 377.A N ASP 381.A OD2 no hydrogen 2.931 N/A THR 378.A N ASP 381.A OD2 no hydrogen 3.275 N/A GLN 380.A N THR 378.A OG1 no hydrogen 3.140 N/A ASP 381.A N THR 378.A O no hydrogen 3.034 N/A PHE 382.A N LEU 379.A O no hydrogen 3.306 N/A ASP 383.A N ASP 415.A OD2 no hydrogen 2.649 N/A ASP 384.A N ASP 415.A OD2 no hydrogen 2.900 N/A GLU 386.A N ASP 384.A OD1 no hydrogen 2.996 N/A VAL 387.A N ASP 384.A O no hydrogen 3.111 N/A LYS 388.A N ASP 384.A O no hydrogen 3.480 N/A GLY 389.A N ILE 385.A O no hydrogen 2.952 N/A PHE 390.A N GLU 386.A O no hydrogen 2.974 N/A PHE 391.A N VAL 387.A O no hydrogen 2.983 N/A GLN 392.A N LYS 388.A O no hydrogen 2.962 N/A ASP 393.A N GLY 389.A O no hydrogen 2.870 N/A TYR 394.A N PHE 390.A O no hydrogen 2.755 N/A VAL 395.A N PHE 391.A O no hydrogen 2.894 N/A GLU 396.A N PHE 391.A O no hydrogen 2.981 N/A THR 397.A OG1 ASP 393.A O no hydrogen 2.639 N/A GLY 398.A N VAL 395.A O no hydrogen 2.978 N/A ALA 400.A N TYR 394.A O no hydrogen 2.850 N/A THR 401.A N GLU 404.A OE1 no hydrogen 2.967 N/A GLU 404.A N THR 401.A OG1 no hydrogen 2.951 N/A LEU 405.A N THR 401.A O no hydrogen 3.011 N/A LEU 406.A N ALA 402.A O no hydrogen 2.918 N/A THR 407.A N GLU 403.A O no hydrogen 2.919 N/A THR 407.A OG1 GLU 403.A O no hydrogen 2.963 N/A ASN 408.A N GLU 404.A O no hydrogen 3.165 N/A ASN 408.A ND2 GLU 404.A O no hydrogen 2.760 N/A VAL 409.A N LEU 405.A O no hydrogen 2.733 N/A ALA 410.A N LEU 406.A O no hydrogen 2.930 N/A LEU 411.A N ASN 408.A O no hydrogen 3.104 N/A THR 412.A N VAL 409.A O no hydrogen 3.098 N/A THR 412.A OG1 TRP 292.A O no hydrogen 3.340 N/A THR 412.A OG1 ASN 408.A O no hydrogen 3.477 N/A SER 413.A N VAL 409.A O no hydrogen 2.655 N/A ARG 414.A NE ASP 384.A OD1 no hydrogen 3.370 N/A ARG 414.A NE ASP 384.A OD2 no hydrogen 2.696 N/A ARG 414.A NH1 ASP 327.A OD1 no hydrogen 3.262 N/A ARG 414.A NH2 ASP 61.A OD1 no hydrogen 3.104 N/A ARG 414.A NH2 ASP 384.A OD1 no hydrogen 2.669 N/A ASP 415.A N SER 413.A OG no hydrogen 3.033 N/A ASN 416.A N SER 413.A O no hydrogen 3.126 N/A ASN 416.A ND2 ALA 410.A O no hydrogen 2.994 N/A ASN 416.A ND2 SER 413.A O no hydrogen 3.079 N/A ALA 417.A N ARG 414.A O no hydrogen 2.954 N/A ARG 418.A N ASP 415.A O no hydrogen 3.044 N/A ARG 418.A NE HIS 326.A O no hydrogen 2.824 N/A ARG 418.A NH2 HIS 326.A O no hydrogen 3.149 N/A ARG 418.A NH2 ASP 327.A OD1 no hydrogen 2.986 N/A PHE 421.A N SER 19.A O no hydrogen 2.948 N/A GLN 422.A NE2 ASN 443.A OD1 no hydrogen 3.285 N/A GLN 422.A NE2 ILE 447.A O no hydrogen 2.773 N/A TRP 423.A N ALA 429.A O no hydrogen 2.883 N/A TRP 423.A NE1 PHE 20.A O no hydrogen 2.733 N/A ASP 424.A N ALA 429.A O no hydrogen 3.058 N/A SER 426.A N ASP 424.A OD1 no hydrogen 2.724 N/A SER 426.A OG ASP 424.A OD1 no hydrogen 2.635 N/A GLY 430.A N ALA 427.A O no hydrogen 2.967 N/A PHE 431.A N ASN 428.A O no hydrogen 3.014 N/A THR 432.A OG1 ASP 22.A OD2 no hydrogen 2.564 N/A GLY 434.A N THR 432.A OG1 no hydrogen 2.959 N/A TRP 437.A N GLY 27.A O no hydrogen 2.960 N/A TRP 437.A NE1 SER 19.A OG no hydrogen 2.961 N/A LYS 439.A NZ ASP 381.A OD1 no hydrogen 2.864 N/A ASN 441.A ND2 ASN 373.A O no hydrogen 2.959 N/A ASN 443.A N ASN 441.A OD1 no hydrogen 2.922 N/A ASN 443.A ND2 THR 372.A OG1 no hydrogen 2.856 N/A TYR 444.A N ASN 441.A O no hydrogen 3.040 N/A THR 445.A OG1 PRO 442.A O no hydrogen 3.565 N/A GLU 446.A N ASN 443.A O no hydrogen 3.001 N/A ILE 447.A N ASN 443.A O no hydrogen 2.830 N/A ASN 448.A ND2 TYR 444.A O no hydrogen 2.919 N/A ALA 449.A N GLN 422.A O no hydrogen 2.888 N/A ALA 450.A N TRP 423.A O no hydrogen 2.810 N/A ARG 451.A N ASN 448.A OD1 no hydrogen 2.791 N/A ARG 451.A NH1 THR 445.A O no hydrogen 3.211 N/A GLU 452.A N ASN 448.A O no hydrogen 3.152 N/A ILE 453.A N ALA 449.A O no hydrogen 2.858 N/A ASP 455.A N GLU 452.A O no hydrogen 3.103 N/A LYS 457.A N ASP 455.A OD1 no hydrogen 2.870 N/A SER 458.A N ASP 455.A O no hydrogen 3.083 N/A SER 458.A OG GLU 452.A O no hydrogen 2.790 N/A SER 458.A OG ASP 455.A O no hydrogen 2.874 N/A SER 458.A OG SER 461.A OG no hydrogen 3.085 N/A TYR 460.A N GLU 452.A OE2 no hydrogen 3.104 N/A SER 461.A N SER 458.A OG no hydrogen 3.008 N/A SER 461.A OG ASP 455.A O no hydrogen 2.610 N/A SER 461.A OG SER 458.A OG no hydrogen 3.085 N/A PHE 462.A N SER 458.A O no hydrogen 3.142 N/A TYR 463.A N VAL 459.A O no hydrogen 2.910 N/A ARG 464.A N TYR 460.A O no hydrogen 2.802 N/A ARG 464.A NE GLY 43.A O no hydrogen 3.137 N/A ASN 465.A N SER 461.A O no hydrogen 2.907 N/A LEU 466.A N PHE 462.A O no hydrogen 2.867 N/A ILE 467.A N TYR 463.A O no hydrogen 2.874 N/A SER 468.A N ARG 464.A O no hydrogen 3.191 N/A SER 468.A OG ARG 464.A O no hydrogen 3.377 N/A ILE 469.A N ASN 465.A O no hydrogen 3.009 N/A ARG 470.A N LEU 466.A O no hydrogen 2.810 N/A ARG 470.A NH1 GLN 357.A O no hydrogen 3.386 N/A ARG 470.A NH2 LEU 355.A O no hydrogen 2.752 N/A ARG 470.A NH2 GLN 357.A O no hydrogen 3.258 N/A HIS 471.A N ILE 467.A O no hydrogen 2.971 N/A HIS 471.A NE2 GLY 45.A O no hydrogen 3.126 N/A GLU 472.A N SER 468.A O no hydrogen 3.003 N/A GLU 472.A N ILE 469.A O no hydrogen 3.145 N/A THR 473.A N ARG 470.A O no hydrogen 3.171 N/A THR 473.A OG1 ILE 469.A O no hydrogen 2.875 N/A LEU 476.A N THR 473.A O no hydrogen 2.983 N/A SER 477.A N PRO 474.A O no hydrogen 2.893 N/A SER 477.A OG LYS 8.A O no hydrogen 2.999 N/A SER 477.A OG SER 9.A OG.B no hydrogen 3.276 N/A THR 478.A N PRO 474.A O no hydrogen 3.067 N/A THR 478.A OG1 PRO 474.A O no hydrogen 3.514 N/A THR 478.A OG1 GLN 498.A OE1 no hydrogen 2.878 N/A SER 480.A N SER 497.A O no hydrogen 2.874 N/A SER 480.A OG SER 497.A O no hydrogen 3.240 N/A TYR 481.A OH ASP 307.A OD1 no hydrogen 2.788 N/A TYR 481.A OH TYR 492.A OH no hydrogen 2.524 N/A ARG 482.A N THR 495.A O no hydrogen 3.200 N/A ILE 484.A N ALA 493.A O no hydrogen 2.980 N/A ASP 485.A N ASP 483.A OD1 no hydrogen 3.106 N/A SER 487.A N ASP 485.A OD1 no hydrogen 3.328 N/A SER 487.A OG ASP 485.A OD1 no hydrogen 2.911 N/A ASN 488.A N ASP 485.A O no hydrogen 3.091 N/A ASP 490.A N ASN 488.A OD1 no hydrogen 2.702 N/A VAL 491.A N ASN 488.A OD1 no hydrogen 2.850 N/A TYR 492.A N VAL 507.A O no hydrogen 2.769 N/A TYR 492.A OH TYR 481.A OH no hydrogen 2.524 N/A TYR 494.A N VAL 505.A O no hydrogen 2.985 N/A TYR 494.A OH THR 356.A OG1 no hydrogen 2.433 N/A THR 495.A N ARG 482.A O no hydrogen 3.069 N/A ARG 496.A N TYR 503.A O no hydrogen 2.867 N/A ARG 496.A NE SER 480.A O no hydrogen 2.964 N/A ARG 496.A NH1 THR 356.A O no hydrogen 2.832 N/A ARG 496.A NH1 LEU 476.A O no hydrogen 2.940 N/A ARG 496.A NH2 SER 477.A O no hydrogen 3.113 N/A ARG 496.A NH2 GLY 479.A O no hydrogen 2.632 N/A SER 497.A N SER 480.A O no hydrogen 3.288 N/A SER 497.A OG THR 502.A OG1 no hydrogen 3.320 N/A GLN 498.A N GLU 501.A O no hydrogen 2.855 N/A GLU 501.A N GLN 498.A O no hydrogen 2.992 N/A THR 502.A OG1 SER 497.A OG no hydrogen 3.320 N/A TYR 503.A N ARG 496.A O no hydrogen 2.738 N/A LEU 504.A N TYR 554.A O no hydrogen 2.641 N/A VAL 505.A N TYR 494.A O no hydrogen 2.772 N/A VAL 506.A N GLY 552.A O no hydrogen 3.058 N/A VAL 507.A N TYR 492.A O no hydrogen 2.731 N/A ASN 508.A N GLN 550.A O no hydrogen 2.829 N/A ASN 508.A ND2 GLU 512.A O no hydrogen 2.853 N/A ASN 508.A ND2 GLN 547.A O no hydrogen 2.984 N/A PHE 509.A N ASP 490.A O no hydrogen 2.884 N/A LYS 510.A N ASN 508.A OD1 no hydrogen 2.999 N/A ARG 514.A N LEU 546.A O no hydrogen 2.944 N/A ARG 514.A NE ASP 490.A OD2 no hydrogen 2.971 N/A ARG 514.A NH1 PRO 513.A O no hydrogen 2.866 N/A ARG 514.A NH2 GLU 512.A OE1 no hydrogen 3.492 N/A PHE 516.A N LEU 544.A O no hydrogen 2.857 N/A LEU 518.A N ALA 542.A O no hydrogen 2.966 N/A MET 522.A N PRO 519.A O no hydrogen 2.903 N/A HIS 523.A N LYS 557.A OXT no hydrogen 3.461 N/A ILE 524.A N ALA 541.A O no hydrogen 2.930 N/A ALA 525.A N LYS 555.A O no hydrogen 2.775 N/A GLU 526.A N LYS 555.A O no hydrogen 3.065 N/A LEU 528.A N ILE 553.A O no hydrogen 2.841 N/A ILE 529.A N ILE 553.A O no hydrogen 3.414 N/A SER 531.A N SER 551.A O no hydrogen 2.847 N/A SER 531.A OG SER 551.A OG no hydrogen 2.592 N/A SER 533.A OG GLU 530.A OE1 no hydrogen 2.684 N/A ALA 535.A N SER 533.A OG no hydrogen 3.315 N/A GLY 540.A N ILE 524.A O no hydrogen 2.711 N/A ALA 541.A N ALA 538.A O no hydrogen 2.965 N/A LEU 544.A N PHE 516.A O no hydrogen 2.677 N/A LEU 546.A N ARG 514.A O no hydrogen 2.677 N/A GLN 547.A N GLN 550.A OE1 no hydrogen 2.926 N/A TRP 549.A N LYS 510.A O no hydrogen 3.007 N/A GLN 550.A N GLN 547.A O no hydrogen 3.013 N/A SER 551.A N SER 531.A O no hydrogen 3.241 N/A SER 551.A OG THR 352.A OG1 no hydrogen 2.753 N/A SER 551.A OG SER 531.A OG no hydrogen 2.592 N/A GLY 552.A N VAL 506.A O no hydrogen 3.007 N/A ILE 553.A N ILE 529.A O no hydrogen 2.911 N/A TYR 554.A N LEU 504.A O no hydrogen 2.771 N/A TYR 554.A OH GLU 530.A OE2 no hydrogen 2.565 N/A LYS 555.A N GLU 526.A O no hydrogen 2.841 N/A VAL 556.A N THR 502.A O no hydrogen 3.027 N/A LYS 557.A N HIS 523.A O no hydrogen 2.740 N/A