Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ful_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A N ASP 1.A OD1 no hydrogen 3.019 N/A SER 4.A N ASP 1.A O no hydrogen 3.301 N/A SER 4.A OG ASP 51.A OD2 no hydrogen 2.711 N/A LEU 5.A N ASP 51.A OD1 no hydrogen 2.671 N/A ALA 6.A N SER 4.A OG no hydrogen 2.997 N/A SER 7.A N VAL 49.A O no hydrogen 2.731 N/A SER 7.A OG VAL 49.A O no hydrogen 3.421 N/A VAL 11.A N PRO 8.A O no hydrogen 2.826 N/A CYS 12.A N PRO 8.A O no hydrogen 3.224 N/A ARG 13.A N GLN 39.A O no hydrogen 3.023 N/A THR 14.A N GLN 143.A OE1 no hydrogen 2.816 N/A THR 14.A OG1 GLN 143.A OE1 no hydrogen 2.741 N/A LYS 15.A N THR 37.A O no hydrogen 2.901 N/A HIS 16.A ND1 THR 151.A OG1 no hydrogen 2.673 N/A HIS 16.A NE2 THR 153.A OG1 no hydrogen 3.220 N/A LEU 17.A N THR 151.A O no hydrogen 2.948 N/A HIS 18.A N ALA 35.A O no hydrogen 2.972 N/A LEU 19.A N THR 153.A O no hydrogen 3.021 N/A ARG 20.A N THR 33.A O no hydrogen 2.876 N/A CYS 21.A N GLU 155.A O no hydrogen 3.026 N/A SER 22.A N THR 31.A O no hydrogen 2.895 N/A VAL 23.A N SER 157.A O no hydrogen 2.874 N/A ASP 24.A N THR 29.A O no hydrogen 2.829 N/A THR 26.A N ASP 24.A OD1 no hydrogen 2.803 N/A ARG 27.A N ASP 24.A OD1 no hydrogen 3.184 N/A ARG 27.A NH1 GLU 103.A OE1 no hydrogen 2.763 N/A ARG 27.A NH2 GLU 103.A OE1 no hydrogen 2.858 N/A ARG 27.A NH2 GLU 103.A OE2 no hydrogen 3.241 N/A THR 29.A N ASP 24.A O no hydrogen 3.188 N/A LEU 30.A N THR 104.A OG1 no hydrogen 3.053 N/A THR 31.A N SER 22.A O no hydrogen 3.084 N/A GLY 32.A N PHE 102.A O no hydrogen 2.995 N/A THR 33.A N ARG 20.A O no hydrogen 2.704 N/A ALA 34.A N ILE 100.A O no hydrogen 2.946 N/A ALA 35.A N HIS 18.A O no hydrogen 2.794 N/A LEU 36.A N ILE 98.A O no hydrogen 2.862 N/A THR 37.A N HIS 16.A O no hydrogen 2.884 N/A VAL 38.A N ILE 96.A O no hydrogen 2.667 N/A GLN 39.A N ARG 13.A O no hydrogen 2.881 N/A GLN 39.A NE2 GLN 41.A OE1 no hydrogen 2.640 N/A SER 40.A N GLN 94.A O no hydrogen 2.966 N/A SER 40.A OG GLU 42.A O no hydrogen 2.588 N/A GLN 41.A N VAL 11.A O no hydrogen 2.735 N/A GLU 42.A N SER 40.A OG no hydrogen 3.016 N/A LEU 45.A N LEU 90.A O no hydrogen 3.000 N/A ARG 46.A NE ASN 44.A OD1 no hydrogen 3.126 N/A ARG 46.A NH2 ASN 44.A OD1 no hydrogen 3.507 N/A LEU 48.A N ILE 84.A O no hydrogen 3.123 N/A VAL 49.A N SER 7.A OG no hydrogen 2.815 N/A LEU 50.A N MET 82.A O no hydrogen 2.832 N/A ASP 51.A N CYS 142.A O no hydrogen 2.690 N/A THR 52.A OG1 SER 80.A O no hydrogen 2.788 N/A LYS 53.A N ARG 137.A O no hydrogen 2.898 N/A LYS 53.A NZ SER 109.A OG no hydrogen 2.809 N/A THR 56.A N GLU 103.A O no hydrogen 2.885 N/A GLU 58.A N SER 101.A O no hydrogen 2.811 N/A VAL 61.A N GLU 99.A O no hydrogen 2.878 N/A ILE 62.A N GLN 65.A O no hydrogen 3.037 N/A GLN 65.A N ILE 62.A O no hydrogen 3.040 N/A VAL 67.A N VAL 60.A O no hydrogen 2.937 N/A TYR 69.A OH ILE 57.A O no hydrogen 3.387 N/A ALA 70.A N GLU 83.A O no hydrogen 2.887 N/A GLY 72.A N PRO 81.A O no hydrogen 2.779 N/A ARG 74.A NH1 ASP 54.A OD2 no hydrogen 2.922 N/A GLN 75.A N GLY 79.A O no hydrogen 2.752 N/A LYS 78.A N GLN 75.A O no hydrogen 3.102 N/A GLY 79.A N SER 76.A O no hydrogen 3.159 N/A SER 80.A N THR 52.A O no hydrogen 2.788 N/A MET 82.A N LEU 50.A O no hydrogen 2.928 N/A GLU 83.A N ALA 70.A O no hydrogen 2.953 N/A ILE 84.A N LEU 48.A O no hydrogen 2.818 N/A SER 85.A N LYS 68.A O no hydrogen 2.801 N/A LEU 86.A N ARG 46.A O no hydrogen 2.867 N/A LEU 90.A N LEU 45.A O no hydrogen 2.987 N/A SER 91.A N GLN 94.A OE1 no hydrogen 3.185 N/A ASN 93.A N SER 40.A O no hydrogen 2.786 N/A GLN 94.A N SER 91.A O no hydrogen 3.000 N/A ILE 96.A N VAL 38.A O no hydrogen 2.817 N/A ILE 98.A N LEU 36.A O no hydrogen 2.914 N/A GLU 99.A N VAL 61.A O no hydrogen 2.886 N/A ILE 100.A N ALA 34.A O no hydrogen 2.898 N/A SER 101.A N LYS 59.A O no hydrogen 3.175 N/A PHE 102.A N GLY 32.A O no hydrogen 2.787 N/A GLU 103.A N THR 56.A O no hydrogen 2.865 N/A THR 104.A N LEU 30.A O no hydrogen 3.002 N/A LYS 107.A N SER 105.A OG no hydrogen 3.085 N/A SER 108.A N SER 105.A O no hydrogen 3.026 N/A SER 108.A OG ALA 138.A O no hydrogen 2.867 N/A SER 109.A OG HIS 135.A ND1 no hydrogen 2.799 N/A ALA 110.A N SER 108.A OG no hydrogen 3.282 N/A LEU 111.A N SER 108.A O no hydrogen 3.113 N/A GLN 112.A N PHE 128.A O no hydrogen 2.966 N/A LEU 114.A N TYR 126.A O no hydrogen 2.980 N/A THR 115.A N GLN 118.A OE1 no hydrogen 2.806 N/A THR 115.A OG1 GLN 118.A OE1 no hydrogen 3.018 N/A GLN 118.A N THR 115.A O no hydrogen 2.948 N/A THR 119.A N PRO 116.A O no hydrogen 3.215 N/A THR 119.A OG1 PRO 116.A O no hydrogen 2.647 N/A THR 119.A OG1 HIS 124.A O no hydrogen 3.441 N/A SER 120.A N GLU 219.A OE2 no hydrogen 3.115 N/A GLY 121.A N GLU 219.A OE1 no hydrogen 2.645 N/A LYS 122.A N THR 119.A OG1 no hydrogen 3.402 N/A LYS 122.A NZ THR 119.A O no hydrogen 3.067 N/A LYS 122.A NZ SER 120.A O no hydrogen 3.564 N/A TYR 126.A N LEU 114.A O no hydrogen 3.213 N/A LEU 127.A N VAL 202.A O no hydrogen 2.707 N/A PHE 128.A N GLN 112.A O no hydrogen 3.291 N/A SER 129.A N LEU 200.A O no hydrogen 3.103 N/A GLN 130.A N ALA 110.A O no hydrogen 2.710 N/A GLN 130.A NE2 GLN 132.A O no hydrogen 3.116 N/A CYS 131.A SG ILE 198.A O no hydrogen 3.331 N/A HIS 135.A N CYS 131.A O no hydrogen 2.791 N/A HIS 135.A ND1 SER 109.A OG no hydrogen 2.799 N/A HIS 135.A NE2 ASP 371.A OD2 no hydrogen 2.776 N/A CYS 136.A SG CYS 195.A O no hydrogen 3.552 N/A ARG 137.A N ASP 144.A OD2 no hydrogen 3.036 N/A ARG 137.A NE ASP 144.A OD2 no hydrogen 2.627 N/A ARG 137.A NH1 CYS 3.A O no hydrogen 3.026 N/A ARG 137.A NH1 LYS 78.A O no hydrogen 2.747 N/A ARG 137.A NH2 CYS 3.A O no hydrogen 2.808 N/A ARG 137.A NH2 ASP 144.A O no hydrogen 3.120 N/A ALA 138.A N HIS 135.A O no hydrogen 2.976 N/A ILE 139.A N CYS 136.A O no hydrogen 2.858 N/A LEU 140.A N CYS 136.A O no hydrogen 3.177 N/A CYS 142.A N ASP 51.A O no hydrogen 3.222 N/A CYS 142.A SG LEU 140.A O no hydrogen 3.415 N/A GLN 143.A NE2 SER 7.A O no hydrogen 2.927 N/A GLN 143.A NE2 CYS 12.A O no hydrogen 2.727 N/A ASP 144.A N ASP 51.A OD2 no hydrogen 2.966 N/A THR 145.A N GLN 143.A O no hydrogen 2.978 N/A THR 145.A OG1 ASP 1.A OD2 no hydrogen 2.515 N/A THR 145.A OG1 SER 147.A OG no hydrogen 2.658 N/A SER 147.A N THR 145.A OG1 no hydrogen 3.172 N/A SER 147.A OG THR 145.A OG1 no hydrogen 2.658 N/A LYS 149.A NZ THR 303.A OG1 no hydrogen 2.732 N/A LYS 149.A NZ LYS 413.A O no hydrogen 2.707 N/A LEU 150.A N ILE 193.A O no hydrogen 2.743 N/A THR 151.A N LYS 15.A O no hydrogen 2.977 N/A THR 151.A OG1 LYS 15.A O no hydrogen 3.097 N/A THR 151.A OG1 HIS 16.A ND1 no hydrogen 2.673 N/A TYR 152.A N GLN 189.A O no hydrogen 3.092 N/A TYR 152.A OH SER 167.A OG no hydrogen 2.862 N/A THR 153.A N LEU 17.A O no hydrogen 2.883 N/A THR 153.A OG1 HIS 16.A NE2 no hydrogen 3.220 N/A ALA 154.A N PHE 187.A O no hydrogen 3.006 N/A GLU 155.A N LEU 19.A O no hydrogen 2.785 N/A VAL 156.A N TYR 185.A O no hydrogen 2.801 N/A SER 157.A N CYS 21.A O no hydrogen 2.884 N/A SER 157.A OG ASP 176.A OD2 no hydrogen 2.707 N/A VAL 158.A N LYS 183.A O no hydrogen 2.857 N/A LYS 160.A N SER 181.A O no hydrogen 2.749 N/A LEU 162.A N PRO 159.A O no hydrogen 2.925 N/A VAL 163.A N GLY 203.A O no hydrogen 2.773 N/A LEU 165.A N VAL 201.A O no hydrogen 2.906 N/A SER 167.A OG TYR 152.A OH no hydrogen 2.862 N/A SER 167.A OG LEU 197.A O no hydrogen 2.795 N/A ILE 169.A N ILE 188.A O no hydrogen 3.002 N/A ARG 170.A NH2 ASP 253.A OD2 no hydrogen 3.491 N/A ASP 171.A N LYS 186.A O no hydrogen 2.762 N/A THR 174.A N ILE 184.A O no hydrogen 3.006 N/A THR 174.A OG1 PRO 175.A O no hydrogen 3.387 N/A ASP 176.A N ARG 182.A O no hydrogen 2.882 N/A GLU 178.A N ASP 176.A OD1 no hydrogen 2.773 N/A ASP 179.A N ASP 176.A O no hydrogen 3.369 N/A SER 181.A N ASP 179.A OD1 no hydrogen 2.996 N/A SER 181.A OG ASP 179.A OD1 no hydrogen 2.587 N/A ARG 182.A N ASP 179.A O no hydrogen 2.987 N/A ARG 182.A NE SER 157.A OG no hydrogen 2.829 N/A ARG 182.A NH2 VAL 23.A O no hydrogen 2.537 N/A ARG 182.A NH2 SER 157.A O no hydrogen 2.978 N/A LYS 183.A N VAL 158.A O no hydrogen 2.864 N/A LYS 183.A NZ GLU 173.A OE1 no hydrogen 2.708 N/A ILE 184.A N THR 174.A O no hydrogen 2.651 N/A TYR 185.A N VAL 156.A O no hydrogen 2.959 N/A TYR 185.A OH LEU 162.A O no hydrogen 2.827 N/A LYS 186.A N GLY 172.A O no hydrogen 2.978 N/A PHE 187.A N ALA 154.A O no hydrogen 2.999 N/A ILE 188.A N ILE 169.A O no hydrogen 3.072 N/A GLN 189.A N TYR 152.A O no hydrogen 2.692 N/A GLN 189.A NE2 SER 167.A O no hydrogen 2.954 N/A LYS 190.A NZ VAL 248.A O no hydrogen 3.473 N/A VAL 191.A N GLN 189.A OE1 no hydrogen 3.137 N/A ILE 193.A N LEU 150.A O no hydrogen 2.737 N/A CYS 195.A SG GLN 143.A O no hydrogen 3.752 N/A CYS 195.A SG ASP 144.A OD1 no hydrogen 3.662 N/A LEU 197.A N PRO 194.A O no hydrogen 3.105 N/A ILE 198.A N CYS 195.A O no hydrogen 3.172 N/A LEU 200.A N SER 129.A OG no hydrogen 3.065 N/A VAL 201.A N LEU 165.A O no hydrogen 2.892 N/A VAL 202.A N LEU 127.A O no hydrogen 2.862 N/A GLY 203.A N VAL 163.A O no hydrogen 2.956 N/A GLU 206.A N SER 218.A O no hydrogen 2.959 N/A ARG 208.A N VAL 216.A O no hydrogen 3.038 N/A ILE 210.A N THR 214.A O no hydrogen 2.874 N/A GLY 211.A N THR 214.A O no hydrogen 3.299 N/A ARG 213.A NE GLU 234.A OE1 no hydrogen 2.772 N/A ARG 213.A NE GLU 234.A OE2 no hydrogen 3.435 N/A ARG 213.A NH2 GLU 234.A OE1 no hydrogen 3.492 N/A ARG 213.A NH2 GLU 234.A OE2 no hydrogen 3.080 N/A ARG 213.A NH2 GLU 241.A OE1 no hydrogen 3.034 N/A THR 214.A N GLY 211.A O no hydrogen 3.242 N/A THR 214.A OG1 TYR 252.A O no hydrogen 2.688 N/A LEU 215.A N ASP 253.A OD1 no hydrogen 2.813 N/A VAL 216.A N ARG 208.A O no hydrogen 2.815 N/A TRP 217.A N LEU 254.A O no hydrogen 2.703 N/A TRP 217.A NE1 ASP 253.A OD2 no hydrogen 3.233 N/A SER 218.A N GLU 206.A O no hydrogen 3.126 N/A SER 218.A OG GLU 219.A O no hydrogen 2.931 N/A GLN 222.A N GLU 219.A O no hydrogen 2.836 N/A GLN 222.A NE2 SER 120.A OG no hydrogen 2.761 N/A LYS 225.A NZ LEU 279.A O no hydrogen 3.093 N/A SER 226.A N GLN 222.A O no hydrogen 2.919 N/A SER 226.A OG GLN 222.A O no hydrogen 2.988 N/A ALA 227.A N VAL 223.A O no hydrogen 3.009 N/A TYR 228.A N GLU 224.A O no hydrogen 3.422 N/A GLU 229.A N LYS 225.A O no hydrogen 3.142 N/A PHE 230.A N SER 226.A O no hydrogen 3.190 N/A SER 231.A N TYR 228.A O no hydrogen 3.222 N/A SER 231.A OG TYR 228.A O no hydrogen 3.223 N/A THR 233.A N PHE 230.A O no hydrogen 3.136 N/A THR 233.A OG1 PHE 230.A O no hydrogen 2.594 N/A SER 235.A OG GLU 232.A O no hydrogen 3.422 N/A SER 235.A OG GLU 232.A OE1 no hydrogen 3.475 N/A MET 236.A N GLU 232.A O no hydrogen 2.872 N/A LEU 237.A N THR 233.A O no hydrogen 2.844 N/A LYS 238.A N GLU 234.A O no hydrogen 2.945 N/A LYS 238.A NZ GLU 234.A OE2 no hydrogen 2.425 N/A ILE 239.A N SER 235.A O no hydrogen 3.223 N/A ALA 240.A N MET 236.A O no hydrogen 2.944 N/A GLU 241.A N LEU 237.A O no hydrogen 2.829 N/A ASP 242.A N LYS 238.A O no hydrogen 3.168 N/A LEU 243.A N ILE 239.A O no hydrogen 3.080 N/A GLY 244.A N ALA 240.A O no hydrogen 2.775 N/A GLY 245.A N GLU 241.A O no hydrogen 2.820 N/A TYR 247.A N GLU 241.A OE2 no hydrogen 3.094 N/A TYR 247.A OH GLN 251.A O no hydrogen 2.624 N/A TRP 249.A NE1 SER 296.A O no hydrogen 2.885 N/A GLN 251.A N TRP 249.A O no hydrogen 3.167 N/A GLN 251.A NE2 ASP 253.A OD1 no hydrogen 3.015 N/A TYR 252.A N ARG 213.A O no hydrogen 2.867 N/A TYR 252.A OH THR 272.A OG1 no hydrogen 2.838 N/A ASP 253.A N CYS 270.A O no hydrogen 3.031 N/A LEU 254.A N LEU 215.A O no hydrogen 3.142 N/A LEU 255.A N THR 272.A O no hydrogen 2.782 N/A VAL 256.A N TRP 217.A O no hydrogen 2.728 N/A LEU 257.A N VAL 274.A O no hydrogen 3.400 N/A SER 260.A OG GLN 112.A OE1 no hydrogen 2.533 N/A PHE 261.A N PRO 258.A O no hydrogen 3.098 N/A MET 266.A N PHE 273.A O no hydrogen 2.773 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.895 N/A ASN 268.A N MET 266.A O no hydrogen 2.714 N/A ASN 268.A ND2 LEU 197.A O no hydrogen 3.480 N/A CYS 270.A SG TRP 249.A O no hydrogen 3.431 N/A LEU 271.A N ASN 268.A O no hydrogen 3.011 N/A THR 272.A N ASP 253.A O no hydrogen 2.926 N/A THR 272.A OG1 TYR 252.A OH no hydrogen 2.838 N/A PHE 273.A N MET 266.A O no hydrogen 2.981 N/A VAL 274.A N LEU 255.A O no hydrogen 3.036 N/A THR 275.A N GLY 264.A O no hydrogen 3.022 N/A THR 275.A OG1 THR 277.A OG1 no hydrogen 2.768 N/A THR 277.A N THR 275.A OG1 no hydrogen 3.054 N/A THR 277.A OG1 THR 275.A OG1 no hydrogen 2.768 N/A LEU 278.A N THR 275.A O no hydrogen 3.181 N/A LEU 279.A N PRO 276.A O no hydrogen 3.061 N/A ALA 280.A N LEU 278.A O no hydrogen 2.893 N/A GLY 281.A N GLU 229.A OE1 no hydrogen 2.696 N/A LYS 283.A N GLU 229.A OE2 no hydrogen 2.591 N/A LYS 283.A NZ TYR 228.A O no hydrogen 3.287 N/A LYS 283.A NZ SER 231.A OG no hydrogen 2.395 N/A SER 284.A N ASP 282.A OD1 no hydrogen 3.043 N/A SER 284.A OG ASP 282.A OD1 no hydrogen 2.857 N/A SER 284.A OG ASP 282.A OD2 no hydrogen 3.501 N/A SER 286.A N LYS 283.A O no hydrogen 3.345 N/A SER 286.A OG LYS 283.A O no hydrogen 2.873 N/A ASN 287.A ND2 GLU 321.A OE2 no hydrogen 2.815 N/A VAL 288.A N LEU 285.A O no hydrogen 3.228 N/A ALA 290.A N SER 286.A O no hydrogen 3.267 N/A HIS 291.A N ASN 287.A O no hydrogen 2.862 N/A HIS 291.A ND1 GLU 321.A OE1 no hydrogen 2.919 N/A GLU 292.A N VAL 288.A O no hydrogen 3.010 N/A ILE 293.A N ILE 289.A O no hydrogen 2.872 N/A SER 294.A N ALA 290.A O no hydrogen 2.919 N/A SER 294.A OG ALA 290.A O no hydrogen 2.709 N/A HIS 295.A N HIS 291.A O no hydrogen 3.230 N/A HIS 295.A ND1 THR 298.A O no hydrogen 2.646 N/A SER 296.A N ILE 293.A O no hydrogen 2.932 N/A SER 296.A OG ILE 293.A O no hydrogen 2.923 N/A TRP 297.A N SER 294.A O no hydrogen 2.942 N/A THR 298.A N SER 294.A O no hydrogen 3.141 N/A THR 298.A OG1 SER 294.A O no hydrogen 3.242 N/A THR 298.A OG1 THR 317.A OG1 no hydrogen 2.889 N/A GLY 299.A N VAL 302.A O no hydrogen 2.563 N/A ASN 300.A N HIS 295.A O no hydrogen 2.933 N/A ASN 300.A ND2 GLU 267.A O no hydrogen 2.767 N/A LEU 301.A N TRP 297.A O no hydrogen 3.289 N/A VAL 302.A N TRP 297.A O no hydrogen 3.156 N/A THR 303.A N LYS 413.A O no hydrogen 3.140 N/A THR 303.A OG1 GLY 299.A O no hydrogen 2.606 N/A ASN 304.A N ASN 313.A OD1 no hydrogen 3.166 N/A ASN 304.A ND2 ASN 304.A O no hydrogen 2.668 N/A LYS 305.A N ILE 415.A O no hydrogen 2.844 N/A ASP 308.A N THR 306.A OG1 no hydrogen 3.215 N/A HIS 309.A N THR 306.A O no hydrogen 3.113 N/A HIS 309.A ND1 THR 417.A OG1 no hydrogen 2.973 N/A PHE 310.A N TRP 307.A O no hydrogen 3.398 N/A TRP 311.A NE1 THR 417.A OG1 no hydrogen 2.807 N/A LEU 312.A N HIS 309.A O no hydrogen 2.830 N/A ASN 313.A ND2 TYR 196.A OH no hydrogen 2.960 N/A GLU 314.A N PHE 310.A O no hydrogen 3.005 N/A GLY 315.A N TRP 311.A O no hydrogen 2.790 N/A HIS 316.A ND1 LEU 312.A O no hydrogen 3.049 N/A THR 317.A N ASN 313.A O no hydrogen 3.337 N/A THR 317.A OG1 THR 298.A OG1 no hydrogen 2.889 N/A THR 317.A OG1 ASN 313.A O no hydrogen 2.829 N/A VAL 318.A N GLU 314.A O no hydrogen 2.892 N/A TYR 319.A N GLY 315.A O no hydrogen 2.895 N/A TYR 319.A OH GLU 390.A OE1 no hydrogen 2.466 N/A LEU 320.A N HIS 316.A O no hydrogen 2.959 N/A GLU 321.A N THR 317.A O no hydrogen 2.829 N/A ARG 322.A N VAL 318.A O no hydrogen 3.026 N/A ARG 322.A NH1 GLU 380.A OE1 no hydrogen 2.895 N/A ARG 322.A NH2 GLU 380.A OE1 no hydrogen 3.555 N/A ARG 322.A NH2 GLU 380.A OE2 no hydrogen 2.760 N/A HIS 323.A N TYR 319.A O no hydrogen 3.340 N/A HIS 323.A NE2 TYR 319.A OH no hydrogen 2.926 N/A ILE 324.A N LEU 320.A O no hydrogen 2.908 N/A CYS 325.A N GLU 321.A O no hydrogen 3.057 N/A GLY 326.A N ARG 322.A O no hydrogen 2.792 N/A ARG 327.A N HIS 323.A O no hydrogen 2.775 N/A LEU 328.A N ILE 324.A O no hydrogen 3.071 N/A PHE 329.A N CYS 325.A O no hydrogen 3.076 N/A GLY 330.A N GLY 326.A O no hydrogen 2.802 N/A ARG 334.A N GLY 330.A O no hydrogen 3.228 N/A ARG 334.A NE GLU 331.A OE1 no hydrogen 2.944 N/A ARG 334.A NH1 GLU 390.A OE1 no hydrogen 2.956 N/A ARG 334.A NH2 GLU 331.A OE2 no hydrogen 2.947 N/A ARG 334.A NH2 GLU 390.A OE1 no hydrogen 3.530 N/A ARG 334.A NH2 GLU 390.A OE2 no hydrogen 2.680 N/A HIS 335.A N GLU 331.A O no hydrogen 3.091 N/A HIS 335.A NE2 GLU 331.A OE2 no hydrogen 3.088 N/A PHE 336.A N LYS 332.A O no hydrogen 2.937 N/A ASN 337.A N PHE 333.A O no hydrogen 2.936 N/A ALA 338.A N ARG 334.A O no hydrogen 2.959 N/A LEU 339.A N HIS 335.A O no hydrogen 2.896 N/A GLY 340.A N PHE 336.A O no hydrogen 3.020 N/A GLY 341.A N ASN 337.A O no hydrogen 2.939 N/A TRP 342.A N ALA 338.A O no hydrogen 2.906 N/A GLY 343.A N LEU 339.A O no hydrogen 3.093 N/A GLU 344.A N GLY 340.A O no hydrogen 2.854 N/A LEU 345.A N GLY 341.A O no hydrogen 3.061 N/A GLN 346.A N TRP 342.A O no hydrogen 3.042 N/A ASN 347.A N GLY 343.A O no hydrogen 3.185 N/A SER 348.A N GLU 344.A O no hydrogen 3.090 N/A VAL 349.A N LEU 345.A O no hydrogen 3.046 N/A LYS 350.A N GLN 346.A O no hydrogen 2.851 N/A THR 351.A N ASN 347.A O no hydrogen 2.914 N/A THR 351.A OG1 ASN 347.A O no hydrogen 3.063 N/A PHE 352.A N SER 348.A O no hydrogen 3.052 N/A GLY 353.A N VAL 349.A O no hydrogen 3.174 N/A HIS 356.A N GLY 353.A O no hydrogen 2.865 N/A THR 359.A N HIS 356.A O no hydrogen 2.925 N/A THR 359.A OG1 HIS 356.A O no hydrogen 2.850 N/A LYS 360.A N PRO 357.A O no hydrogen 3.244 N/A VAL 362.A N LEU 444.A O no hydrogen 2.916 N/A LEU 365.A N ASP 308.A OD1 no hydrogen 2.852 N/A THR 366.A N ASP 364.A OD1 no hydrogen 2.937 N/A THR 366.A OG1 ASP 364.A OD1 no hydrogen 2.608 N/A ILE 368.A N LEU 365.A O no hydrogen 3.000 N/A ASP 371.A N ASP 369.A OD1 no hydrogen 2.867 N/A VAL 372.A N ASP 369.A O no hydrogen 2.761 N/A ALA 373.A N ASP 369.A O no hydrogen 3.273 N/A ALA 373.A N PRO 370.A O no hydrogen 3.091 N/A TYR 374.A OH TYR 379.A OH no hydrogen 2.257 N/A TYR 379.A OH TYR 374.A OH no hydrogen 2.257 N/A GLU 380.A N SER 376.A O no hydrogen 2.686 N/A LYS 381.A N VAL 377.A O no hydrogen 2.718 N/A LYS 381.A NZ THR 359.A O no hydrogen 2.880 N/A LYS 381.A NZ GLY 448.A O no hydrogen 2.656 N/A PHE 383.A N TYR 379.A O no hydrogen 2.818 N/A ALA 384.A N GLU 380.A O no hydrogen 2.906 N/A LEU 385.A N LYS 381.A O no hydrogen 2.904 N/A LEU 386.A N GLY 382.A O no hydrogen 3.256 N/A PHE 387.A N PHE 383.A O no hydrogen 2.867 N/A TYR 388.A N ALA 384.A O no hydrogen 2.939 N/A LEU 389.A N LEU 385.A O no hydrogen 2.904 N/A GLU 390.A N LEU 386.A O no hydrogen 2.832 N/A GLN 391.A N PHE 387.A O no hydrogen 3.113 N/A GLN 391.A NE2 ASN 455.A O no hydrogen 2.775 N/A LEU 392.A N TYR 388.A O no hydrogen 3.072 N/A LEU 393.A N LEU 389.A O no hydrogen 2.878 N/A GLY 394.A N GLU 390.A O no hydrogen 3.312 N/A GLY 395.A N GLU 390.A O no hydrogen 2.785 N/A PHE 399.A N GLY 395.A O no hydrogen 2.957 N/A LEU 400.A N PRO 396.A O no hydrogen 2.907 N/A GLY 401.A N GLU 397.A O no hydrogen 3.409 N/A PHE 402.A N ILE 398.A O no hydrogen 3.398 N/A LEU 403.A N PHE 399.A O no hydrogen 2.979 N/A LYS 404.A N LEU 400.A O no hydrogen 2.878 N/A LYS 404.A NZ ASP 242.A O no hydrogen 3.314 N/A ALA 405.A N GLY 401.A O no hydrogen 2.987 N/A TYR 406.A N PHE 402.A O no hydrogen 2.724 N/A VAL 407.A N LEU 403.A O no hydrogen 2.981 N/A GLU 408.A N LYS 404.A O no hydrogen 3.174 N/A LYS 409.A N ALA 405.A O no hydrogen 2.893 N/A PHE 410.A N TYR 406.A O no hydrogen 3.216 N/A SER 411.A OG VAL 407.A O no hydrogen 2.611 N/A TYR 412.A N LEU 301.A O no hydrogen 2.761 N/A LYS 413.A N PHE 410.A O no hydrogen 3.084 N/A SER 414.A OG PRO 146.A O no hydrogen 2.697 N/A ILE 415.A N THR 303.A O no hydrogen 2.743 N/A THR 416.A N ASP 419.A OD2 no hydrogen 2.838 N/A THR 416.A OG1 ASP 419.A OD2 no hydrogen 3.304 N/A THR 417.A N HIS 309.A ND1 no hydrogen 3.167 N/A THR 417.A OG1 HIS 309.A ND1 no hydrogen 2.973 N/A ASP 419.A N THR 416.A OG1 no hydrogen 3.345 N/A TRP 420.A N THR 416.A O no hydrogen 3.115 N/A LYS 421.A N THR 417.A O no hydrogen 2.919 N/A ASP 422.A N ASP 418.A O no hydrogen 2.875 N/A PHE 423.A N ASP 419.A O no hydrogen 3.127 N/A LEU 424.A N TRP 420.A O no hydrogen 2.951 N/A TYR 425.A N LYS 421.A O no hydrogen 2.955 N/A SER 426.A N ASP 422.A O no hydrogen 2.913 N/A TYR 427.A N PHE 423.A O no hydrogen 2.916 N/A PHE 428.A N LEU 424.A O no hydrogen 3.108 N/A LYS 429.A N SER 426.A O no hydrogen 3.244 N/A LYS 431.A N PHE 428.A O no hydrogen 2.653 N/A LYS 431.A NZ LEU 393.A O no hydrogen 3.029 N/A LEU 435.A N LYS 431.A O no hydrogen 2.977 N/A ASN 436.A N VAL 432.A O no hydrogen 2.969 N/A GLN 437.A N VAL 434.A O no hydrogen 3.051 N/A GLN 437.A NE2 ASP 433.A O no hydrogen 3.661 N/A VAL 438.A N LEU 435.A O no hydrogen 3.250 N/A TRP 440.A NE1 TYR 425.A OH no hydrogen 2.816 N/A ALA 442.A N ASP 439.A O no hydrogen 3.139 N/A TRP 443.A N ASP 439.A O no hydrogen 3.052 N/A LEU 444.A N TRP 440.A O no hydrogen 2.909 N/A TYR 445.A N ASN 441.A O no hydrogen 3.181 N/A SER 446.A N ALA 442.A O no hydrogen 3.098 N/A SER 446.A OG ASN 441.A O no hydrogen 3.524 N/A GLY 448.A N THR 359.A OG1 no hydrogen 2.719 N/A ASN 455.A N GLN 391.A OE1 no hydrogen 2.967 N/A ASP 457.A N HIS 335.A ND1 no hydrogen 2.887 N/A THR 459.A N ASP 457.A OD2 no hydrogen 3.004 N/A THR 459.A OG1 ASP 457.A OD1 no hydrogen 3.029 N/A THR 459.A OG1 ASP 457.A OD2 no hydrogen 2.842 N/A THR 461.A N MET 458.A O no hydrogen 3.067 N/A ASN 462.A N MET 458.A O no hydrogen 2.977 N/A CYS 464.A N THR 461.A O no hydrogen 2.970 N/A CYS 464.A SG LEU 460.A O no hydrogen 3.842 N/A CYS 464.A SG GLN 494.A O no hydrogen 3.225 N/A ILE 465.A N THR 461.A O no hydrogen 3.159 N/A ALA 466.A N ASN 462.A O no hydrogen 2.735 N/A LEU 467.A N ALA 463.A O no hydrogen 3.122 N/A SER 468.A N CYS 464.A O no hydrogen 3.047 N/A SER 468.A OG THR 502.A OG1 no hydrogen 2.943 N/A GLN 469.A N ILE 465.A O no hydrogen 2.920 N/A ARG 470.A N ALA 466.A O no hydrogen 2.996 N/A TRP 471.A N LEU 467.A O no hydrogen 3.146 N/A TRP 471.A NE1 TYR 520.A OH no hydrogen 2.974 N/A ILE 472.A N SER 468.A O no hydrogen 3.052 N/A THR 473.A N GLN 469.A O no hydrogen 2.969 N/A THR 473.A OG1 GLN 469.A O no hydrogen 2.688 N/A THR 473.A OG1 ARG 470.A O no hydrogen 3.393 N/A LYS 475.A N ASP 478.A OD2 no hydrogen 2.960 N/A LYS 475.A NZ THR 473.A O no hydrogen 2.812 N/A ASP 478.A N LYS 475.A O no hydrogen 2.798 N/A LEU 479.A N GLU 476.A O no hydrogen 3.218 N/A SER 481.A N ASP 478.A O no hydrogen 3.185 N/A SER 481.A OG ASP 478.A O no hydrogen 2.503 N/A PHE 482.A N LEU 479.A O no hydrogen 3.339 N/A ASN 483.A N ASP 486.A OD2 no hydrogen 2.996 N/A THR 485.A N ASN 483.A OD1 no hydrogen 2.782 N/A THR 485.A OG1 ASN 483.A OD1 no hydrogen 2.605 N/A ASP 486.A N ASN 483.A O no hydrogen 2.805 N/A LEU 487.A N ALA 484.A O no hydrogen 3.250 N/A LYS 488.A N THR 485.A O no hydrogen 3.314 N/A LYS 488.A NZ ASP 489.A OD2 no hydrogen 3.558 N/A LEU 490.A N LEU 487.A O no hydrogen 3.087 N/A SER 491.A N GLN 494.A OE1 no hydrogen 3.157 N/A GLN 494.A N SER 491.A OG no hydrogen 3.276 N/A GLN 494.A NE2 LEU 460.A O no hydrogen 2.770 N/A LEU 495.A N SER 491.A O no hydrogen 2.987 N/A ASN 496.A N SER 492.A O no hydrogen 2.802 N/A GLU 497.A N HIS 493.A O no hydrogen 2.888 N/A PHE 498.A N GLN 494.A O no hydrogen 2.737 N/A LEU 499.A N LEU 495.A O no hydrogen 3.189 N/A ALA 500.A N ASN 496.A O no hydrogen 3.066 N/A GLN 501.A N GLU 497.A O no hydrogen 2.856 N/A GLN 501.A NE2 GLU 497.A OE2 no hydrogen 3.122 N/A THR 502.A N PHE 498.A O no hydrogen 3.052 N/A THR 502.A OG1 SER 468.A OG no hydrogen 2.943 N/A THR 502.A OG1 PHE 498.A O no hydrogen 2.951 N/A LEU 503.A N LEU 499.A O no hydrogen 2.552 N/A GLN 504.A N ALA 500.A O no hydrogen 3.150 N/A GLN 504.A NE2 GLY 343.A O no hydrogen 3.655 N/A GLN 504.A NE2 ASN 347.A OD1 no hydrogen 3.176 N/A ARG 505.A N THR 502.A O no hydrogen 2.910 N/A ARG 505.A NH1 GLN 501.A O no hydrogen 3.190 N/A ARG 505.A NH1 GLN 501.A OE1 no hydrogen 3.007 N/A ALA 506.A N LEU 503.A O no hydrogen 3.190 N/A LEU 508.A N SER 541.A OG no hydrogen 3.053 N/A HIS 512.A NE2 ALA 474.A O no hydrogen 2.757 N/A ILE 513.A N PRO 509.A O no hydrogen 3.362 N/A LYS 514.A N LEU 510.A O no hydrogen 2.878 N/A ARG 515.A N GLY 511.A O no hydrogen 2.833 N/A ARG 515.A NE LEU 479.A O no hydrogen 2.716 N/A ARG 515.A NH1 GLU 518.A OE1 no hydrogen 2.862 N/A ARG 515.A NH2 PHE 482.A O no hydrogen 3.146 N/A MET 516.A N HIS 512.A O no hydrogen 2.734 N/A GLN 517.A N ILE 513.A O no hydrogen 3.009 N/A GLU 518.A N LYS 514.A O no hydrogen 2.902 N/A VAL 519.A N ARG 515.A O no hydrogen 3.025 N/A TYR 520.A N MET 516.A O no hydrogen 2.865 N/A TYR 520.A OH ASP 486.A OD2 no hydrogen 2.721 N/A ASN 521.A N GLN 517.A O no hydrogen 3.085 N/A ASN 521.A ND2 GLN 517.A OE1 no hydrogen 2.803 N/A ALA 524.A N ASN 521.A O no hydrogen 3.316 N/A ILE 525.A N PHE 522.A O no hydrogen 3.175 N/A SER 528.A OG THR 277.A O no hydrogen 2.973 N/A GLU 529.A N ASN 527.A OD1 no hydrogen 3.057 N/A ILE 530.A N ASN 527.A OD1 no hydrogen 3.414 N/A ARG 531.A N ASN 527.A O no hydrogen 2.797 N/A ARG 531.A NH1 ASN 523.A O no hydrogen 2.848 N/A PHE 532.A N SER 528.A O no hydrogen 3.127 N/A ARG 533.A N GLU 529.A O no hydrogen 3.230 N/A ARG 533.A NH1 ASN 496.A OD1 no hydrogen 2.815 N/A ARG 533.A NH1 GLU 529.A OE1 no hydrogen 2.773 N/A ARG 533.A NH2 GLU 529.A OE1 no hydrogen 3.149 N/A TRP 534.A N ILE 530.A O no hydrogen 2.979 N/A TRP 534.A NE1 ASN 523.A OD1 no hydrogen 2.616 N/A LEU 535.A N ARG 531.A O no hydrogen 2.778 N/A ARG 536.A N PHE 532.A O no hydrogen 2.974 N/A ARG 536.A NE ASP 569.A OD2 no hydrogen 2.639 N/A ARG 536.A NH2 ASP 569.A OD1 no hydrogen 2.817 N/A ARG 536.A NH2 ASP 569.A OD2 no hydrogen 3.363 N/A LEU 537.A N ARG 533.A O no hydrogen 2.871 N/A CYS 538.A N TRP 534.A O no hydrogen 2.916 N/A CYS 538.A SG TRP 534.A O no hydrogen 3.279 N/A ILE 539.A N LEU 535.A O no hydrogen 2.825 N/A GLN 540.A N ARG 536.A O no hydrogen 2.841 N/A GLN 540.A NE2 ASP 569.A OD2 no hydrogen 2.728 N/A SER 541.A N LEU 537.A O no hydrogen 2.960 N/A SER 541.A OG LEU 537.A O no hydrogen 2.886 N/A LYS 542.A N ILE 539.A O no hydrogen 3.118 N/A TRP 543.A N CYS 538.A O no hydrogen 2.859 N/A ALA 546.A N TRP 543.A O no hydrogen 2.897 N/A ILE 547.A N GLU 544.A O no hydrogen 2.958 N/A ALA 550.A N ALA 546.A O no hydrogen 2.890 N/A LEU 551.A N ILE 547.A O no hydrogen 2.977 N/A LYS 552.A N PRO 548.A O no hydrogen 2.990 N/A LYS 552.A NZ GLU 556.A OE2 no hydrogen 2.747 N/A MET 553.A N LEU 549.A O no hydrogen 3.240 N/A ALA 554.A N ALA 550.A O no hydrogen 2.967 N/A THR 555.A N LYS 552.A O no hydrogen 3.089 N/A THR 555.A OG1 LEU 551.A O no hydrogen 2.763 N/A THR 555.A OG1 LYS 552.A O no hydrogen 3.182 N/A GLU 556.A N LYS 552.A O no hydrogen 2.678 N/A GLY 558.A N PRO 259.A O no hydrogen 2.813 N/A ARG 559.A NH1 THR 277.A OG1 no hydrogen 3.044 N/A MET 560.A N PRO 262.A O no hydrogen 2.802 N/A LYS 561.A NZ GLU 529.A OE1 no hydrogen 3.207 N/A LYS 561.A NZ GLU 529.A OE2 no hydrogen 2.580 N/A PHE 562.A N ARG 559.A O no hydrogen 2.803 N/A THR 563.A N ARG 559.A O no hydrogen 2.964 N/A THR 563.A OG1 ALA 554.A O no hydrogen 2.920 N/A THR 563.A OG1 GLN 557.A O no hydrogen 3.134 N/A THR 563.A OG1 GLN 557.A OE1 no hydrogen 2.848 N/A ARG 564.A N MET 560.A O no hydrogen 3.121 N/A ARG 564.A NE ASP 602.A OD2 no hydrogen 2.715 N/A ARG 564.A NH2 ASP 602.A OD1 no hydrogen 2.909 N/A ARG 564.A NH2 ASP 602.A OD2 no hydrogen 3.300 N/A LEU 566.A N PHE 562.A O no hydrogen 3.036 N/A PHE 567.A N THR 563.A O no hydrogen 3.115 N/A LYS 568.A N ARG 564.A O no hydrogen 3.011 N/A ASP 569.A N PRO 565.A O no hydrogen 2.858 N/A LEU 570.A N LEU 566.A O no hydrogen 2.915 N/A ALA 571.A N PHE 567.A O no hydrogen 2.835 N/A ALA 572.A N LYS 568.A O no hydrogen 2.935 N/A ALA 572.A N ASP 569.A O no hydrogen 3.176 N/A PHE 573.A N ASP 569.A O no hydrogen 3.189 N/A SER 576.A N PHE 573.A O no hydrogen 2.940 N/A SER 576.A OG LEU 570.A O no hydrogen 2.555 N/A SER 576.A OG PHE 573.A O no hydrogen 3.382 N/A HIS 577.A N PHE 573.A O no hydrogen 2.837 N/A HIS 577.A ND1 ASP 578.A OD1 no hydrogen 2.981 N/A ALA 580.A N SER 576.A O no hydrogen 2.903 N/A VAL 581.A N HIS 577.A O no hydrogen 3.178 N/A ARG 582.A N ASP 578.A O no hydrogen 2.911 N/A THR 583.A N GLN 579.A O no hydrogen 2.698 N/A THR 583.A OG1 GLN 579.A O no hydrogen 2.560 N/A TYR 584.A N ALA 580.A O no hydrogen 3.019 N/A TYR 584.A OH ALA 596.A O no hydrogen 2.740 N/A GLN 585.A N VAL 581.A O no hydrogen 3.033 N/A GLU 586.A N ARG 582.A O no hydrogen 3.075 N/A HIS 587.A N TYR 584.A O no hydrogen 3.022 N/A HIS 587.A ND1 THR 583.A O no hydrogen 3.213 N/A LYS 588.A N TYR 584.A O no hydrogen 2.664 N/A LYS 588.A NZ TYR 584.A OH no hydrogen 3.011 N/A SER 590.A N HIS 587.A O no hydrogen 2.791 N/A SER 590.A OG HIS 587.A O no hydrogen 2.930 N/A MET 591.A N LYS 588.A O no hydrogen 3.374 N/A VAL 594.A N HIS 592.A ND1 no hydrogen 3.212 N/A ALA 596.A N HIS 592.A O no hydrogen 2.786 N/A MET 597.A N PRO 593.A O no hydrogen 3.432 N/A LEU 598.A N VAL 594.A O no hydrogen 3.016 N/A VAL 599.A N THR 595.A O no hydrogen 2.863 N/A GLY 600.A N ALA 596.A O no hydrogen 2.919 N/A LYS 601.A N MET 597.A O no hydrogen 2.905 N/A ASP 602.A N LEU 598.A O no hydrogen 2.827 N/A LEU 603.A N VAL 599.A O no hydrogen 2.945 N/A LYS 604.A N LYS 601.A O no hydrogen 3.100 N/A VAL 605.A N GLY 600.A O no hydrogen 2.954 N/A