Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bmx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A N ALA 1.A O no hydrogen 2.992 N/A LYS 5.A NZ ASP 9.A OD2 no hydrogen 2.811 N/A ARG 6.A N SER 2.A O no hydrogen 2.943 N/A ALA 7.A N ALA 3.A O no hydrogen 3.109 N/A ILE 8.A N SER 4.A O no hydrogen 3.154 N/A ASP 9.A N LYS 5.A O no hydrogen 2.822 N/A ALA 10.A N ARG 6.A O no hydrogen 2.947 N/A ASN 11.A N ALA 7.A O no hydrogen 3.063 N/A ASN 11.A ND2 GLU 362.A OE2 no hydrogen 2.954 N/A GLN 12.A N ILE 8.A O no hydrogen 2.907 N/A ILE 13.A N ASP 9.A O no hydrogen 2.971 N/A VAL 14.A N ALA 10.A O no hydrogen 2.960 N/A ASN 15.A N ASN 11.A O no hydrogen 2.938 N/A ASN 15.A ND2 ASN 11.A OD1 no hydrogen 3.495 N/A ARG 16.A N ILE 13.A O no hydrogen 3.150 N/A MET 17.A N VAL 14.A O no hydrogen 3.014 N/A SER 18.A N GLU 21.A OE1 no hydrogen 3.192 N/A GLU 21.A N SER 18.A OG no hydrogen 3.049 N/A LYS 22.A N SER 18.A O no hydrogen 2.956 N/A LYS 22.A NZ GLU 354.A OE2 no hydrogen 2.917 N/A LYS 22.A NZ ASN 358.A OD1 no hydrogen 2.815 N/A LEU 23.A N LEU 19.A O no hydrogen 2.864 N/A GLY 24.A N ASP 20.A O no hydrogen 2.986 N/A GLN 25.A N GLU 21.A O no hydrogen 3.094 N/A MET 26.A N LEU 23.A O no hydrogen 3.068 N/A LEU 27.A N GLY 24.A O no hydrogen 2.985 N/A MET 28.A N ALA 321.A O no hydrogen 2.955 N/A ARG 32.A N ASP 30.A OD1 no hydrogen 2.968 N/A ARG 32.A NH1 GLU 69.A OE1 no hydrogen 2.954 N/A ARG 32.A NH1 GLU 69.A OE2 no hydrogen 3.558 N/A TRP 34.A N GLN 43.A O no hydrogen 2.751 N/A TRP 34.A NE1 GLU 51.A OE1 no hydrogen 2.913 N/A GLN 35.A N THR 328.A O no hydrogen 2.725 N/A GLN 35.A NE2 GLU 39.A O no hydrogen 3.050 N/A LYS 36.A N GLU 39.A OE1 no hydrogen 2.833 N/A GLU 37.A N GLU 51.A OE2 no hydrogen 2.983 N/A GLU 39.A N LYS 36.A O no hydrogen 2.957 N/A GLN 43.A N TRP 34.A O no hydrogen 2.918 N/A GLN 43.A NE2 SER 41.A O no hydrogen 2.989 N/A LEU 45.A N ARG 32.A O no hydrogen 3.003 N/A VAL 52.A N ASN 49.A OD1 no hydrogen 2.951 N/A ALA 53.A N ASN 49.A O no hydrogen 3.038 N/A SER 54.A N ASP 50.A O no hydrogen 2.916 N/A SER 54.A OG GLU 51.A O no hydrogen 2.675 N/A LEU 55.A N GLU 51.A O no hydrogen 3.337 N/A LEU 55.A N VAL 52.A O no hydrogen 2.983 N/A VAL 56.A N VAL 52.A O no hydrogen 3.101 N/A LYS 57.A N ALA 53.A O no hydrogen 2.951 N/A LYS 57.A NZ ALA 87.A O no hydrogen 3.238 N/A LYS 58.A N SER 54.A O no hydrogen 2.906 N/A LYS 58.A NZ TYR 59.A OH no hydrogen 3.323 N/A LYS 58.A NZ GLU 333.A OE2 no hydrogen 2.883 N/A TYR 59.A N LEU 55.A O no hydrogen 2.924 N/A TYR 59.A OH GLU 333.A O no hydrogen 3.182 N/A TYR 59.A OH GLU 333.A OE2 no hydrogen 2.678 N/A GLN 60.A N VAL 56.A O no hydrogen 2.821 N/A GLY 62.A N GLY 24.A O no hydrogen 2.936 N/A GLY 62.A N LEU 27.A O no hydrogen 3.247 N/A ILE 64.A N MET 94.A O no hydrogen 2.875 N/A ILE 65.A N PRO 29.A O no hydrogen 3.024 N/A LEU 66.A N SER 96.A O no hydrogen 2.840 N/A PHE 67.A N ASN 70.A OD1 no hydrogen 2.939 N/A GLU 69.A N GLU 69.A OE1 no hydrogen 2.799 N/A ASN 70.A N PHE 67.A O no hydrogen 2.858 N/A ASN 70.A ND2 PHE 31.A O no hydrogen 3.129 N/A ASN 70.A ND2 ARG 32.A O no hydrogen 3.053 N/A ASN 70.A ND2 LEU 45.A O no hydrogen 2.834 N/A VAL 71.A N ALA 68.A O no hydrogen 3.200 N/A LYS 72.A NZ GLU 69.A O no hydrogen 2.839 N/A THR 74.A N GLU 109.A OE1 no hydrogen 2.847 N/A THR 74.A OG1 GLU 109.A OE1 no hydrogen 3.536 N/A GLN 76.A N THR 73.A OG1 no hydrogen 3.072 N/A THR 77.A N THR 73.A O no hydrogen 2.902 N/A THR 77.A OG1 THR 73.A O no hydrogen 2.713 N/A VAL 78.A N THR 74.A O no hydrogen 3.042 N/A GLN 79.A N LYS 75.A O no hydrogen 3.211 N/A GLN 79.A NE2 GLN 79.A O no hydrogen 3.550 N/A GLN 79.A NE2 ASP 83.A OD1 no hydrogen 3.157 N/A GLN 79.A NE2 ASP 83.A OD2 no hydrogen 3.286 N/A LEU 80.A N GLN 76.A O no hydrogen 2.883 N/A THR 81.A N THR 77.A O no hydrogen 2.910 N/A THR 81.A OG1 THR 77.A O no hydrogen 3.312 N/A THR 81.A OG1 VAL 78.A O no hydrogen 3.245 N/A THR 81.A OG1 LEU 142.A O no hydrogen 2.731 N/A ASP 82.A N VAL 78.A O no hydrogen 3.039 N/A ASP 83.A N GLN 79.A O no hydrogen 2.881 N/A TYR 84.A N LEU 80.A O no hydrogen 2.813 N/A GLN 85.A N THR 81.A O no hydrogen 2.988 N/A GLN 85.A NE2 LEU 93.A O no hydrogen 3.070 N/A LYS 86.A N ASP 82.A O no hydrogen 2.915 N/A ALA 87.A N ASP 83.A O no hydrogen 2.992 N/A SER 88.A N TYR 84.A O no hydrogen 3.047 N/A SER 88.A OG ILE 91.A O no hydrogen 2.630 N/A LYS 90.A NZ GLU 21.A OE2 no hydrogen 2.869 N/A LEU 93.A N GLN 85.A OE1 no hydrogen 2.904 N/A MET 94.A N GLY 62.A O no hydrogen 2.981 N/A LEU 95.A N ASN 145.A OD1 no hydrogen 2.854 N/A SER 96.A N ILE 64.A O no hydrogen 2.953 N/A SER 96.A OG ILE 64.A O no hydrogen 3.370 N/A GLN 99.A N ASP 147.A OD1 no hydrogen 2.927 N/A GLU 100.A N VAL 104.A O no hydrogen 3.063 N/A GLY 101.A N VAL 104.A O no hydrogen 2.932 N/A GLY 102.A N ASN 112.A O no hydrogen 2.885 N/A VAL 104.A N GLY 101.A O no hydrogen 3.445 N/A THR 105.A OG1 ASN 112.A OD1 no hydrogen 3.044 N/A ARG 106.A N GLN 99.A OE1 no hydrogen 2.755 N/A ARG 106.A NH2 ASP 98.A OD2 no hydrogen 2.970 N/A LEU 107.A N GLN 99.A OE1 no hydrogen 3.295 N/A GLY 108.A N VAL 71.A O no hydrogen 2.935 N/A GLY 110.A N LEU 107.A O no hydrogen 3.482 N/A THR 111.A N GLU 138.A OE1 no hydrogen 2.931 N/A THR 111.A OG1 GLU 138.A OE2 no hydrogen 2.717 N/A PHE 113.A N GLU 402.A OE2 no hydrogen 2.828 N/A ASN 116.A ND2 ARG 166.A O no hydrogen 2.965 N/A MET 117.A N VAL 165.A O no hydrogen 3.017 N/A LEU 119.A N GLY 115.A O no hydrogen 2.985 N/A GLY 120.A N ASN 116.A O no hydrogen 2.831 N/A ALA 121.A N MET 117.A O no hydrogen 2.865 N/A ALA 122.A N ALA 118.A O no hydrogen 2.963 N/A ARG 123.A N LEU 119.A O no hydrogen 2.955 N/A ARG 123.A N GLY 120.A O no hydrogen 3.016 N/A ARG 123.A NH1 GLY 120.A O no hydrogen 2.822 N/A ARG 123.A NH1 THR 587.A O no hydrogen 2.944 N/A ARG 123.A NH1 LEU 588.A O no hydrogen 3.516 N/A ARG 123.A NH2 LEU 588.A O no hydrogen 2.882 N/A SER 124.A N ALA 122.A O no hydrogen 2.877 N/A ASN 127.A N SER 124.A O no hydrogen 3.180 N/A TYR 129.A N ARG 125.A O no hydrogen 3.143 N/A GLN 130.A N ILE 126.A O no hydrogen 2.852 N/A THR 131.A N ASN 127.A O no hydrogen 2.984 N/A THR 131.A OG1 ASN 127.A O no hydrogen 2.929 N/A GLY 132.A N ALA 128.A O no hydrogen 2.889 N/A SER 133.A N.A TYR 129.A O no hydrogen 2.845 N/A SER 133.A N.B TYR 129.A O no hydrogen 2.852 N/A SER 133.A OG.A TYR 129.A O no hydrogen 3.009 N/A SER 133.A OG.B GLN 189.A OE1 no hydrogen 3.216 N/A ILE 134.A N GLN 130.A O no hydrogen 2.913 N/A ILE 135.A N THR 131.A O no hydrogen 2.919 N/A GLY 136.A N GLY 132.A O no hydrogen 2.814 N/A LYS 137.A N SER 133.A O.A no hydrogen 2.788 N/A LYS 137.A N SER 133.A O.B no hydrogen 2.933 N/A LYS 137.A NZ SER 133.A OG.B no hydrogen 3.338 N/A LYS 137.A NZ GLN 189.A OE1 no hydrogen 3.001 N/A GLU 138.A N ILE 134.A O no hydrogen 2.970 N/A LEU 139.A N ILE 135.A O no hydrogen 2.882 N/A SER 140.A N.A GLY 136.A O no hydrogen 2.891 N/A SER 140.A N.B GLY 136.A O no hydrogen 2.881 N/A SER 140.A OG.B GLY 136.A O no hydrogen 2.795 N/A SER 140.A OG.B GLN 189.A O no hydrogen 3.040 N/A ALA 141.A N LYS 137.A O no hydrogen 3.054 N/A LEU 142.A N GLU 138.A O no hydrogen 3.115 N/A GLY 143.A N SER 140.A O.A no hydrogen 3.150 N/A GLY 143.A N SER 140.A O.B no hydrogen 3.021 N/A ILE 144.A N LEU 139.A O no hydrogen 2.937 N/A ASN 145.A N LEU 95.A O no hydrogen 3.019 N/A ASN 145.A ND2 LEU 93.A O no hydrogen 2.968 N/A THR 146.A N LEU 95.A O no hydrogen 3.125 N/A THR 146.A OG1 ASN 145.A OD1 no hydrogen 2.858 N/A ASP 147.A N ALA 192.A O no hydrogen 2.843 N/A PHE 148.A N ILE 97.A O no hydrogen 2.825 N/A VAL 152.A N LYS 196.A O no hydrogen 2.767 N/A ASN 155.A N SER 167.A OG no hydrogen 3.123 N/A ASN 155.A N SER 169.A O no hydrogen 3.289 N/A ASN 155.A ND2 TYR 541.A OH no hydrogen 3.119 N/A ASN 156.A N ILE 154.A O no hydrogen 2.769 N/A ASN 157.A ND2 ASP 203.A O no hydrogen 2.968 N/A ASP 159.A N ASN 157.A OD1 no hydrogen 2.880 N/A ASN 160.A N ASN 157.A O no hydrogen 3.005 N/A ASN 160.A ND2 HIS 201.A O no hydrogen 2.969 N/A ASN 160.A ND2 GLY 202.A O no hydrogen 2.942 N/A VAL 162.A N ASN 160.A OD1 no hydrogen 2.987 N/A ILE 163.A N ASN 160.A OD1 no hydrogen 2.989 N/A GLY 164.A N ASN 155.A OD1 no hydrogen 2.840 N/A ARG 166.A N ILE 163.A O no hydrogen 3.014 N/A ARG 166.A NE GLU 100.A OE1 no hydrogen 2.932 N/A ARG 166.A NH1 VAL 162.A O no hydrogen 2.808 N/A ARG 166.A NH2 GLU 100.A OE2 no hydrogen 2.862 N/A SER 167.A N GLY 164.A O no hydrogen 2.929 N/A SER 167.A OG ASP 153.A O no hydrogen 2.796 N/A SER 167.A OG SER 169.A O no hydrogen 3.092 N/A SER 169.A N SER 167.A OG no hydrogen 3.245 N/A SER 169.A OG PRO 589.A O no hydrogen 2.729 N/A SER 170.A N PRO 589.A O no hydrogen 3.054 N/A ASN 171.A N SER 169.A OG no hydrogen 2.883 N/A ASN 171.A ND2 GLU 173.A OE1 no hydrogen 3.228 N/A ARG 172.A NE GLU 173.A OE2 no hydrogen 2.873 N/A ARG 172.A NH1 GLU 224.A O no hydrogen 2.771 N/A ARG 172.A NH1 GLU 224.A OE1 no hydrogen 3.029 N/A ARG 172.A NH2 GLU 173.A OE2 no hydrogen 3.445 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 3.058 N/A LEU 174.A N ASN 171.A OD1 no hydrogen 2.882 N/A THR 175.A N ASN 171.A O no hydrogen 3.093 N/A THR 175.A OG1 SER 169.A O no hydrogen 3.115 N/A THR 175.A OG1 ASN 171.A O no hydrogen 3.183 N/A SER 176.A N ARG 172.A O no hydrogen 2.880 N/A ARG 177.A N GLU 173.A O no hydrogen 2.887 N/A LEU 178.A N LEU 174.A O no hydrogen 3.093 N/A GLY 179.A N THR 175.A O no hydrogen 2.868 N/A LEU 180.A N SER 176.A O no hydrogen 2.938 N/A TYR 181.A N ARG 177.A O no hydrogen 3.108 N/A THR 182.A N LEU 178.A O no hydrogen 2.941 N/A THR 182.A OG1 LEU 178.A O no hydrogen 2.916 N/A MET 183.A N GLY 179.A O no hydrogen 2.956 N/A LYS 184.A N LEU 180.A O no hydrogen 2.940 N/A GLY 185.A N TYR 181.A O no hydrogen 2.942 N/A LEU 186.A N THR 182.A O no hydrogen 3.054 N/A GLN 187.A N MET 183.A O no hydrogen 2.940 N/A GLN 187.A NE2 GLY 237.A O no hydrogen 2.956 N/A GLN 187.A NE2 ASP 239.A OD2 no hydrogen 3.311 N/A ARG 188.A N LYS 184.A O no hydrogen 2.932 N/A GLN 189.A N LEU 186.A O no hydrogen 2.985 N/A ASP 190.A N GLN 187.A O no hydrogen 2.923 N/A ILE 191.A N LEU 186.A O no hydrogen 3.118 N/A ALA 192.A N ASN 145.A O no hydrogen 2.939 N/A SER 193.A N ASP 239.A OD2 no hydrogen 3.127 N/A SER 193.A OG SER 149.A O no hydrogen 2.748 N/A ALA 194.A N ASP 147.A O no hydrogen 3.204 N/A LEU 195.A N MET 240.A O no hydrogen 3.022 N/A LYS 196.A N PRO 150.A O no hydrogen 3.030 N/A LYS 196.A NZ GLU 100.A OE2 no hydrogen 2.728 N/A LYS 196.A NZ PHE 148.A O no hydrogen 2.760 N/A HIS 197.A N ASP 153.A OD1 no hydrogen 2.873 N/A HIS 197.A ND1 ASP 153.A OD2 no hydrogen 2.760 N/A PHE 198.A N MET 242.A O no hydrogen 2.774 N/A HIS 201.A N ASP 153.A OD1 no hydrogen 2.873 N/A HIS 201.A ND1 HIS 201.A O no hydrogen 2.782 N/A HIS 201.A ND1 THR 204.A OG1 no hydrogen 2.867 N/A HIS 201.A NE2 SER 208.A OG no hydrogen 2.713 N/A THR 204.A OG1 HIS 201.A ND1 no hydrogen 2.867 N/A THR 204.A OG1 HIS 201.A O no hydrogen 3.030 N/A THR 204.A OG1 VAL 206.A O no hydrogen 3.444 N/A SER 208.A OG HIS 201.A NE2 no hydrogen 2.713 N/A HIS 209.A N ASP 207.A OD1 no hydrogen 2.814 N/A HIS 209.A ND1 ASP 207.A OD1 no hydrogen 2.657 N/A TYR 210.A N ASP 207.A O no hydrogen 2.874 N/A GLY 211.A N ASP 207.A O no hydrogen 3.057 N/A VAL 215.A N GLN 247.A O no hydrogen 2.872 N/A GLN 219.A NE2 ALA 250.A O no hydrogen 2.959 N/A ARG 221.A NE GLU 226.A OE1 no hydrogen 2.861 N/A ARG 221.A NH2 GLU 226.A OE1 no hydrogen 3.505 N/A ARG 221.A NH2 GLU 226.A OE2 no hydrogen 2.876 N/A LEU 222.A N GLY 218.A O no hydrogen 3.030 N/A ARG 223.A N GLN 219.A O no hydrogen 2.873 N/A GLU 224.A N GLU 220.A O no hydrogen 3.023 N/A VAL 225.A N ARG 221.A O no hydrogen 2.921 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.832 N/A LEU 227.A N LEU 222.A O no hydrogen 2.869 N/A TYR 228.A N VAL 225.A O no hydrogen 3.063 N/A GLN 231.A N LEU 227.A O no hydrogen 2.928 N/A GLN 231.A NE2 GLN 231.A O no hydrogen 3.407 N/A GLN 231.A NE2 ASP 235.A OD1 no hydrogen 2.929 N/A GLN 231.A NE2 MET 284.A O no hydrogen 3.112 N/A LYS 232.A N TYR 228.A O no hydrogen 3.180 N/A ALA 233.A N PRO 229.A O no hydrogen 3.179 N/A ILE 234.A N PHE 230.A O no hydrogen 2.837 N/A ASP 235.A N GLN 231.A O no hydrogen 2.951 N/A ALA 236.A N LYS 232.A O no hydrogen 3.140 N/A GLY 237.A N ILE 234.A O no hydrogen 3.023 N/A ALA 238.A N ALA 233.A O no hydrogen 3.064 N/A MET 240.A N SER 193.A O no hydrogen 3.162 N/A VAL 241.A N VAL 289.A O no hydrogen 2.940 N/A MET 242.A N LEU 195.A O no hydrogen 2.815 N/A THR 243.A N VAL 291.A O no hydrogen 2.943 N/A THR 243.A OG1 THR 270.A OG1 no hydrogen 2.689 N/A ALA 244.A N PHE 198.A O no hydrogen 2.839 N/A HIS 245.A ND1 THR 270.A OG1 no hydrogen 2.727 N/A HIS 245.A NE2 ALA 294.A O no hydrogen 2.821 N/A GLN 247.A N PRO 213.A O no hydrogen 2.856 N/A GLN 247.A NE2 LEU 266.A O no hydrogen 2.936 N/A PHE 251.A N PHE 248.A O no hydrogen 2.873 N/A ASP 252.A N PHE 248.A O no hydrogen 2.971 N/A THR 254.A N ASP 252.A OD1 no hydrogen 2.967 N/A THR 254.A OG1 ASP 252.A OD1 no hydrogen 2.576 N/A TYR 256.A N ILE 265.A O no hydrogen 2.947 N/A LYS 257.A NZ ASP 264.A OD1 no hydrogen 2.998 N/A SER 258.A N SER 263.A O no hydrogen 2.828 N/A SER 258.A OG HIS 303.A ND1 no hydrogen 2.716 N/A LYS 259.A N HIS 303.A O no hydrogen 2.938 N/A LYS 259.A NZ ALA 301.A O no hydrogen 2.891 N/A LYS 259.A NZ PHE 304.A O no hydrogen 3.095 N/A LEU 260.A N SER 258.A OG no hydrogen 2.919 N/A GLY 262.A N SER 258.A O no hydrogen 2.843 N/A SER 263.A N ASP 261.A OD1 no hydrogen 3.075 N/A SER 263.A OG ASP 261.A OD1 no hydrogen 2.809 N/A ILE 265.A N TYR 256.A O no hydrogen 2.820 N/A VAL 267.A N THR 254.A O no hydrogen 2.927 N/A ALA 269.A N VAL 246.A O no hydrogen 2.808 N/A THR 270.A OG1 THR 243.A OG1 no hydrogen 2.689 N/A THR 270.A OG1 HIS 245.A ND1 no hydrogen 2.727 N/A LEU 271.A N PRO 268.A O no hydrogen 2.868 N/A SER 272.A N ALA 269.A O no hydrogen 2.958 N/A SER 272.A OG ASP 252.A OD2 no hydrogen 2.611 N/A VAL 275.A N SER 272.A OG no hydrogen 2.926 N/A MET 276.A N SER 272.A O no hydrogen 2.953 N/A THR 277.A N LYS 273.A O no hydrogen 2.848 N/A THR 277.A OG1 ALA 316.A O no hydrogen 2.775 N/A GLY 278.A N LYS 273.A O no hydrogen 3.048 N/A LEU 279.A N LYS 274.A O no hydrogen 2.845 N/A LEU 280.A N VAL 275.A O no hydrogen 2.900 N/A ARG 281.A N MET 276.A O no hydrogen 3.224 N/A ARG 281.A NH1 PHE 286.A O no hydrogen 2.947 N/A ARG 281.A NH1 GLY 288.A O no hydrogen 2.838 N/A ARG 281.A NH2 ASP 319.A OD2 no hydrogen 2.802 N/A GLN 282.A N THR 277.A O no hydrogen 2.986 N/A GLU 283.A N GLY 278.A O no hydrogen 3.016 N/A MET 284.A N LEU 279.A O no hydrogen 2.842 N/A PHE 286.A N LEU 280.A O no hydrogen 3.104 N/A VAL 289.A N ASP 239.A O no hydrogen 3.069 N/A ILE 290.A N ASP 319.A OD2 no hydrogen 2.777 N/A VAL 291.A N VAL 241.A O no hydrogen 2.908 N/A THR 292.A N ILE 320.A O no hydrogen 3.030 N/A THR 292.A OG1 ASP 293.A O no hydrogen 2.764 N/A ASP 293.A N THR 243.A OG1 no hydrogen 3.108 N/A ALA 294.A N ASP 293.A OD1 no hydrogen 2.803 N/A LEU 295.A N LEU 322.A O no hydrogen 2.974 N/A MET 297.A N ALA 294.A O no hydrogen 3.239 N/A LYS 298.A N HIS 209.A O no hydrogen 3.244 N/A LYS 298.A NZ TYR 210.A O no hydrogen 2.906 N/A ALA 299.A N SER 208.A O no hydrogen 3.143 N/A ILE 300.A N MET 297.A O no hydrogen 2.950 N/A ALA 301.A N MET 297.A O no hydrogen 2.898 N/A ASP 302.A N LYS 298.A O no hydrogen 2.975 N/A HIS 303.A N ILE 300.A O no hydrogen 2.988 N/A HIS 303.A ND1 SER 258.A OG no hydrogen 2.716 N/A PHE 304.A N ILE 300.A O no hydrogen 2.972 N/A GLY 305.A N GLU 308.A OE2 no hydrogen 3.025 N/A ALA 309.A N GLY 305.A O no hydrogen 2.841 N/A VAL 311.A N GLU 307.A O no hydrogen 3.021 N/A MET 312.A N GLU 308.A O no hydrogen 2.836 N/A ALA 313.A N ALA 309.A O no hydrogen 2.944 N/A VAL 314.A N VAL 310.A O no hydrogen 3.005 N/A LYS 315.A N VAL 311.A O no hydrogen 2.857 N/A ALA 316.A N MET 312.A O no hydrogen 2.924 N/A GLY 317.A N ALA 313.A O no hydrogen 3.238 N/A GLY 317.A N VAL 314.A O no hydrogen 2.871 N/A VAL 318.A N ALA 313.A O no hydrogen 3.095 N/A ASP 319.A N ILE 290.A O no hydrogen 2.838 N/A ILE 320.A N ILE 290.A O no hydrogen 3.033 N/A ALA 321.A N MET 26.A O no hydrogen 2.814 N/A LEU 322.A N THR 292.A OG1 no hydrogen 2.953 N/A MET 323.A N MET 28.A O no hydrogen 2.828 N/A THR 328.A N GLU 332.A OE1 no hydrogen 2.981 N/A THR 328.A OG1 GLU 332.A OE1 no hydrogen 3.387 N/A LYS 331.A N SER 329.A OG no hydrogen 3.273 N/A GLU 332.A N SER 329.A O no hydrogen 3.036 N/A GLU 333.A N LEU 330.A O no hydrogen 3.172 N/A GLN 334.A NE2 GLU 333.A OE1 no hydrogen 2.823 N/A LYS 335.A N GLU 332.A O no hydrogen 3.057 N/A LYS 335.A NZ SER 326.A O no hydrogen 3.029 N/A PHE 336.A N GLU 333.A O no hydrogen 3.059 N/A ARG 338.A N GLN 334.A O no hydrogen 2.865 N/A VAL 339.A N LYS 335.A O no hydrogen 3.183 N/A ILE 340.A N PHE 336.A O no hydrogen 2.955 N/A GLN 341.A N ALA 337.A O no hydrogen 2.860 N/A ALA 342.A N ARG 338.A O no hydrogen 2.977 N/A LEU 343.A N VAL 339.A O no hydrogen 3.085 N/A LYS 344.A N ILE 340.A O no hydrogen 2.853 N/A LYS 344.A NZ ASP 20.A OD1 no hydrogen 2.836 N/A LYS 344.A NZ ASP 20.A OD2 no hydrogen 3.287 N/A GLU 345.A N GLN 341.A O no hydrogen 2.916 N/A ALA 346.A N ALA 342.A O no hydrogen 3.150 N/A VAL 347.A N LEU 343.A O no hydrogen 2.978 N/A LYS 348.A N LYS 344.A O no hydrogen 2.836 N/A ASN 349.A N GLU 345.A O no hydrogen 2.989 N/A GLY 350.A N VAL 347.A O no hydrogen 3.074 N/A ILE 352.A N ALA 346.A O no hydrogen 3.032 N/A GLN 355.A NE2 ASN 359.A OD1 no hydrogen 3.005 N/A GLN 356.A N PRO 353.A O no hydrogen 2.886 N/A GLN 356.A NE2 VAL 314.A O no hydrogen 2.731 N/A ILE 357.A N PRO 353.A O no hydrogen 3.392 N/A ASN 358.A N GLU 354.A O no hydrogen 2.932 N/A ASN 358.A ND2 GLN 355.A OE1 no hydrogen 3.357 N/A ASN 359.A N GLN 355.A O no hydrogen 2.924 N/A SER 360.A N GLN 356.A O no hydrogen 2.989 N/A SER 360.A OG ASP 319.A OD1 no hydrogen 2.652 N/A SER 360.A OG GLN 356.A O no hydrogen 3.365 N/A VAL 361.A N ILE 357.A O no hydrogen 2.903 N/A GLU 362.A N ASN 358.A O no hydrogen 2.850 N/A ARG 363.A N ASN 359.A O no hydrogen 3.059 N/A ARG 363.A NH1 ASP 319.A OD1 no hydrogen 3.049 N/A ILE 364.A N SER 360.A O no hydrogen 3.118 N/A ILE 365.A N VAL 361.A O no hydrogen 2.869 N/A SER 366.A N GLU 362.A O no hydrogen 2.807 N/A LEU 367.A N ARG 363.A O no hydrogen 3.035 N/A LYS 368.A N ILE 364.A O no hydrogen 3.002 N/A LYS 368.A NZ GLN 25.A OE1 no hydrogen 2.845 N/A LYS 368.A NZ GLY 62.A O no hydrogen 2.762 N/A LYS 368.A NZ PRO 92.A O no hydrogen 2.793 N/A ILE 369.A N ILE 365.A O no hydrogen 2.913 N/A LYS 370.A N SER 366.A O no hydrogen 2.830 N/A LYS 370.A NZ ASP 239.A OD1 no hydrogen 2.979 N/A ARG 371.A N LEU 367.A O no hydrogen 2.977 N/A ARG 371.A NE ASP 239.A OD2 no hydrogen 2.939 N/A ARG 371.A NH2 ASP 239.A OD1 no hydrogen 2.876 N/A ARG 371.A NH2 ASP 239.A OD2 no hydrogen 3.491 N/A GLY 372.A N ILE 369.A O no hydrogen 3.061 N/A MET 373.A N LYS 368.A O no hydrogen 2.810 N/A TYR 374.A N LYS 368.A O no hydrogen 3.184 N/A ARG 377.A NE GLY 372.A O no hydrogen 2.912 N/A ASP 380.A N ASN 378.A OD1 no hydrogen 3.004 N/A SER 381.A N GLU 384.A OE1 no hydrogen 3.067 N/A THR 382.A OG1 ASP 82.A OD2 no hydrogen 2.683 N/A GLU 384.A N SER 381.A OG no hydrogen 3.088 N/A LYS 385.A N SER 381.A O no hydrogen 2.954 N/A LYS 385.A NZ ASP 82.A OD1 no hydrogen 2.793 N/A LYS 385.A NZ ASP 82.A OD2 no hydrogen 3.507 N/A ILE 386.A N THR 382.A O no hydrogen 2.840 N/A ALA 387.A N LYS 383.A O no hydrogen 3.041 N/A LYS 388.A N GLU 384.A O no hydrogen 3.025 N/A LYS 388.A NZ ASP 380.A OD2 no hydrogen 2.909 N/A ALA 389.A N LYS 385.A O no hydrogen 2.905 N/A LYS 390.A N ILE 386.A O no hydrogen 2.974 N/A LYS 391.A N LYS 388.A O no hydrogen 3.211 N/A ILE 392.A N ALA 389.A O no hydrogen 3.057 N/A VAL 393.A N ALA 389.A O no hydrogen 2.840 N/A GLY 394.A N GLU 138.A OE2 no hydrogen 2.881 N/A SER 395.A N ILE 392.A O no hydrogen 3.199 N/A HIS 398.A N SER 395.A OG no hydrogen 3.136 N/A HIS 398.A ND1 GLU 138.A OE2 no hydrogen 2.766 N/A LEU 399.A N SER 395.A O no hydrogen 2.891 N/A LYS 400.A N LYS 396.A O no hydrogen 2.896 N/A ALA 401.A N GLN 397.A O no hydrogen 3.093 N/A GLU 402.A N HIS 398.A O no hydrogen 2.926 N/A LYS 403.A N LEU 399.A O no hydrogen 2.896 N/A LYS 403.A NZ GLU 407.A OE1 no hydrogen 3.474 N/A LYS 403.A NZ GLU 407.A OE2 no hydrogen 2.876 N/A LYS 404.A N LYS 400.A O no hydrogen 3.067 N/A LEU 405.A N ALA 401.A O no hydrogen 3.014 N/A ALA 406.A N GLU 402.A O no hydrogen 2.923 N/A GLU 407.A N LYS 403.A O no hydrogen 2.945 N/A LYS 408.A N LYS 404.A O no hydrogen 2.997 N/A ALA 409.A N LEU 405.A O no hydrogen 3.106 N/A VAL 410.A N GLU 407.A O no hydrogen 3.363 N/A THR 411.A N ALA 554.A O no hydrogen 2.999 N/A THR 411.A OG1 ALA 409.A O no hydrogen 2.971 N/A THR 411.A OG1 TYR 556.A OH no hydrogen 2.776 N/A LEU 413.A N LEU 552.A O no hydrogen 2.821 N/A LYS 414.A N LEU 552.A O no hydrogen 3.165 N/A LYS 414.A NZ GLU 416.A OE2 no hydrogen 3.412 N/A LYS 414.A NZ GLU 547.A O no hydrogen 2.980 N/A LYS 414.A NZ ALA 549.A O no hydrogen 3.253 N/A ASN 415.A ND2 LEU 420.A O no hydrogen 2.983 N/A ASN 415.A ND2 ILE 611.A O no hydrogen 2.944 N/A GLU 416.A N LYS 550.A O no hydrogen 2.818 N/A THR 419.A N GLU 416.A O no hydrogen 3.111 N/A THR 419.A OG1 GLU 416.A O no hydrogen 2.805 N/A LEU 420.A N ASN 415.A OD1 no hydrogen 2.812 N/A PHE 422.A N ILE 578.A O no hydrogen 2.780 N/A GLY 427.A N PRO 458.A O no hydrogen 2.887 N/A SER 428.A N LYS 425.A O no hydrogen 3.073 N/A SER 428.A OG LYS 425.A O no hydrogen 2.743 N/A ARG 429.A N ASP 483.A OD2 no hydrogen 2.827 N/A ILE 430.A N SER 460.A O no hydrogen 2.860 N/A LEU 431.A N TYR 484.A O no hydrogen 2.864 N/A ILE 432.A N SER 462.A O no hydrogen 2.838 N/A VAL 433.A N ILE 486.A O no hydrogen 2.825 N/A ALA 434.A N MET 464.A O no hydrogen 3.032 N/A TYR 436.A N GLN 439.A OE1 no hydrogen 3.060 N/A GLN 439.A N TYR 436.A O no hydrogen 2.866 N/A GLN 439.A NE2 PHE 558.A O no hydrogen 2.984 N/A THR 440.A N TYR 436.A O no hydrogen 3.196 N/A THR 440.A OG1 GLU 437.A O no hydrogen 3.115 N/A THR 440.A OG1 ASN 465.A OD1 no hydrogen 2.736 N/A ALA 441.A N GLU 437.A O no hydrogen 2.869 N/A SER 442.A N GLU 438.A O no hydrogen 3.021 N/A ILE 443.A N GLN 439.A O no hydrogen 3.157 N/A GLU 444.A N THR 440.A O no hydrogen 2.877 N/A GLN 445.A N ALA 441.A O no hydrogen 2.832 N/A THR 446.A N SER 442.A O no hydrogen 3.041 N/A THR 446.A OG1 SER 442.A O no hydrogen 2.915 N/A ILE 447.A N ILE 443.A O no hydrogen 3.004 N/A HIS 448.A N GLU 444.A O no hydrogen 2.857 N/A ASP 449.A N GLN 445.A O no hydrogen 2.984 N/A LEU 450.A N THR 446.A O no hydrogen 3.014 N/A ILE 451.A N ILE 447.A O no hydrogen 2.959 N/A LYS 452.A N HIS 448.A O no hydrogen 2.952 N/A ARG 453.A N ASP 449.A O no hydrogen 2.908 N/A LYS 454.A N ILE 451.A O no hydrogen 2.984 N/A LYS 455.A N LEU 450.A O no hydrogen 2.834 N/A ILE 456.A N LEU 450.A O no hydrogen 3.445 N/A SER 460.A N SER 428.A O no hydrogen 2.925 N/A SER 460.A OG SER 428.A O no hydrogen 3.561 N/A SER 462.A N ILE 430.A O no hydrogen 3.103 N/A LYS 463.A NZ GLU 444.A OE1 no hydrogen 2.933 N/A MET 464.A N ILE 432.A O no hydrogen 2.805 N/A PHE 466.A N ALA 434.A O no hydrogen 2.943 N/A ALA 467.A N PRO 435.A O no hydrogen 2.953 N/A GLN 469.A N PHE 466.A O no hydrogen 2.985 N/A GLN 469.A NE2 ALA 467.A O no hydrogen 3.015 N/A LYS 472.A N HIS 475.A ND1 no hydrogen 2.943 N/A LYS 472.A NZ VAL 470.A O no hydrogen 3.108 N/A HIS 475.A N LYS 472.A O no hydrogen 2.971 N/A GLU 476.A N LYS 472.A O no hydrogen 3.188 N/A LYS 477.A N THR 473.A O no hydrogen 2.959 N/A LYS 477.A NZ GLU 481.A OE2 no hydrogen 2.795 N/A GLN 478.A N GLU 474.A O no hydrogen 3.244 N/A VAL 479.A N HIS 475.A O no hydrogen 3.048 N/A LYS 480.A N GLU 476.A O no hydrogen 2.904 N/A GLU 481.A N LYS 477.A O no hydrogen 3.027 N/A ALA 482.A N GLN 478.A O no hydrogen 3.093 N/A ALA 482.A N VAL 479.A O no hydrogen 3.178 N/A ASP 483.A N ARG 429.A O no hydrogen 2.799 N/A TYR 484.A N ARG 429.A O no hydrogen 3.127 N/A ILE 485.A N PRO 531.A O no hydrogen 2.885 N/A ILE 486.A N LEU 431.A O no hydrogen 2.957 N/A THR 487.A N VAL 533.A O no hydrogen 2.951 N/A GLY 488.A N VAL 433.A O no hydrogen 2.755 N/A SER 489.A N MET 535.A O no hydrogen 2.931 N/A SER 489.A OG ASP 542.A OD2 no hydrogen 2.629 N/A ASN 494.A ND2 ASN 545.A OD1 no hydrogen 2.957 N/A ASN 499.A N VAL 502.A O no hydrogen 2.988 N/A VAL 502.A N ASN 499.A O no hydrogen 2.917 N/A ASP 504.A N VAL 497.A O no hydrogen 2.753 N/A THR 506.A N ASP 504.A OD1 no hydrogen 2.965 N/A THR 506.A OG1 ASP 504.A OD1 no hydrogen 2.652 N/A THR 506.A OG1 ASP 504.A OD2 no hydrogen 3.434 N/A SER 511.A N ASP 509.A OD1 no hydrogen 3.256 N/A SER 511.A OG ASP 509.A OD1 no hydrogen 2.617 N/A TRP 513.A N SER 510.A O no hydrogen 3.244 N/A THR 515.A N LYS 512.A O no hydrogen 3.127 N/A THR 515.A OG1 LYS 512.A O no hydrogen 3.329 N/A VAL 516.A N LYS 512.A O no hydrogen 2.934 N/A PHE 517.A N TRP 513.A O no hydrogen 3.155 N/A ARG 519.A N THR 515.A O no hydrogen 3.216 N/A ARG 519.A NE ASP 505.A OD1 no hydrogen 2.914 N/A ARG 519.A NH1 ASP 505.A OD2 no hydrogen 3.036 N/A ARG 519.A NH1 GLU 548.A OE2 no hydrogen 2.940 N/A ARG 519.A NH2 ASN 545.A O no hydrogen 2.711 N/A ARG 519.A NH2 GLU 548.A OE1 no hydrogen 2.979 N/A ARG 519.A NH2 GLU 548.A OE2 no hydrogen 3.429 N/A ALA 520.A N VAL 516.A O no hydrogen 2.949 N/A VAL 521.A N PHE 517.A O no hydrogen 3.009 N/A MET 522.A N PRO 518.A O no hydrogen 2.972 N/A LYS 523.A N ARG 519.A O no hydrogen 2.862 N/A ALA 524.A N ALA 520.A O no hydrogen 3.012 N/A ALA 525.A N VAL 521.A O no hydrogen 2.865 N/A LEU 526.A N MET 522.A O no hydrogen 2.881 N/A GLN 527.A N LYS 523.A O no hydrogen 2.969 N/A HIS 528.A N ALA 524.A O no hydrogen 3.103 N/A HIS 528.A N ALA 525.A O no hydrogen 3.191 N/A HIS 528.A ND1 ALA 524.A O no hydrogen 2.976 N/A ASN 529.A N LEU 526.A O no hydrogen 3.113 N/A LYS 530.A N ALA 525.A O no hydrogen 2.877 N/A LYS 530.A NZ LYS 480.A O no hydrogen 3.006 N/A LYS 530.A NZ ALA 482.A O no hydrogen 2.796 N/A VAL 533.A N ILE 485.A O no hydrogen 3.015 N/A LEU 534.A N ALA 551.A O no hydrogen 3.069 N/A MET 535.A N THR 487.A O no hydrogen 2.769 N/A SER 536.A N ILE 553.A O no hydrogen 2.813 N/A SER 536.A OG ASN 539.A O no hydrogen 3.232 N/A SER 536.A OG ASP 542.A OD1 no hydrogen 2.684 N/A LEU 537.A N SER 489.A O no hydrogen 2.808 N/A ARG 538.A NH1 TYR 490.A OH no hydrogen 2.831 N/A ASN 539.A N VAL 491.A O no hydrogen 3.158 N/A ASN 539.A ND2 VAL 492.A O no hydrogen 2.849 N/A ALA 543.A N PRO 540.A O no hydrogen 2.970 N/A ALA 544.A N TYR 541.A O no hydrogen 3.237 N/A ASN 545.A N ASP 542.A O no hydrogen 2.865 N/A ASN 545.A ND2 ASN 494.A OD1 no hydrogen 2.800 N/A PHE 546.A N ALA 543.A O no hydrogen 3.191 N/A GLU 548.A N GLU 548.A OE1 no hydrogen 2.735 N/A ALA 549.A N PHE 546.A O no hydrogen 3.078 N/A LEU 552.A N LYS 414.A O no hydrogen 2.987 N/A ILE 553.A N LEU 534.A O no hydrogen 2.926 N/A ALA 554.A N THR 411.A O no hydrogen 2.854 N/A VAL 555.A N SER 536.A O no hydrogen 3.057 N/A TYR 556.A OH THR 411.A OG1 no hydrogen 2.776 N/A LYS 559.A N GLN 568.A OE1 no hydrogen 3.102 N/A LYS 559.A NZ ILE 103.A O no hydrogen 3.129 N/A TYR 561.A N GLU 438.A O no hydrogen 2.924 N/A ALA 562.A N ARG 565.A O no hydrogen 2.921 N/A ARG 565.A N ALA 562.A O no hydrogen 2.948 N/A ARG 565.A NH1 GLY 110.A O no hydrogen 2.814 N/A LEU 567.A N GLY 560.A O no hydrogen 2.777 N/A GLN 568.A NE2 PRO 114.A O no hydrogen 3.571 N/A ASN 570.A ND2 PRO 114.A O no hydrogen 2.888 N/A ASN 570.A ND2 VAL 555.A O no hydrogen 2.862 N/A ALA 573.A N PRO 569.A O no hydrogen 3.021 N/A GLY 574.A N ASN 570.A O no hydrogen 2.978 N/A VAL 575.A N ILE 571.A O no hydrogen 2.962 N/A MET 576.A N PRO 572.A O no hydrogen 2.814 N/A ALA 577.A N ALA 573.A O no hydrogen 3.050 N/A ILE 578.A N GLY 574.A O no hydrogen 2.922 N/A PHE 579.A N VAL 575.A O no hydrogen 3.132 N/A PHE 579.A N MET 576.A O no hydrogen 3.248 N/A GLY 580.A N ALA 577.A O no hydrogen 3.035 N/A GLN 581.A N MET 576.A O no hydrogen 2.821 N/A GLN 581.A NE2 PHE 579.A O no hydrogen 3.055 N/A LYS 585.A N LYS 408.A O no hydrogen 2.915 N/A GLY 586.A N VAL 410.A O no hydrogen 2.963 N/A THR 587.A N ALA 121.A O no hydrogen 3.073 N/A LEU 588.A N TYR 607.A O no hydrogen 2.853 N/A ILE 592.A N TYR 603.A O no hydrogen 2.819 N/A SER 594.A N ASN 600.A O.A no hydrogen 2.765 N/A SER 594.A N ASN 600.A O.B no hydrogen 2.918 N/A SER 594.A OG LYS 597.A O no hydrogen 3.560 N/A THR 596.A OG1 GLU 547.A OE2 no hydrogen 2.692 N/A LYS 597.A N SER 594.A OG no hydrogen 2.885 N/A ASN 600.A N.A LYS 597.A O no hydrogen 3.079 N/A ASN 600.A N.B LYS 597.A O no hydrogen 3.049 N/A ASN 600.A ND2.A LYS 597.A O no hydrogen 3.099 N/A LEU 602.A N ILE 592.A O no hydrogen 2.830 N/A TYR 603.A N ILE 592.A O no hydrogen 3.331 N/A LEU 605.A N ASP 591.A OD2 no hydrogen 2.793 N/A GLY 606.A N LEU 588.A O no hydrogen 2.790 N/A TYR 607.A N PRO 604.A O no hydrogen 2.979 N/A LEU 609.A N VAL 412.A O no hydrogen 2.815 N/A ASN 610.A N ARG 615.A O no hydrogen 2.777 N/A LYS 612.A N ASN 610.A OD1 no hydrogen 2.896 N/A THR 613.A N ASN 610.A O no hydrogen 3.273 N/A THR 613.A N ASN 610.A OD1 no hydrogen 3.173 N/A GLY 614.A N ASN 610.A O no hydrogen 2.763 N/A LEU 617.A N.A GLY 608.A O no hydrogen 2.800 N/A LEU 617.A N.B GLY 608.A O no hydrogen 2.849 N/A