Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ufl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 325.A OE1 no hydrogen 3.280 N/A TYR 3.A N THR 370.A O no hydrogen 2.834 N/A LEU 5.A N THR 372.A O no hydrogen 2.879 N/A ASP 6.A N THR 320.A OG1 no hydrogen 3.404 N/A SER 8.A N ASP 6.A OD1 no hydrogen 2.815 N/A SER 8.A OG ASP 6.A OD1 no hydrogen 2.989 N/A GLY 10.A N ASP 7.A O no hydrogen 2.893 N/A GLY 12.A N TYR 317.A O no hydrogen 2.724 N/A ARG 13.A N TYR 256.A OH no hydrogen 2.957 N/A ARG 13.A NH1 LYS 228.A O no hydrogen 3.210 N/A PHE 15.A N TRP 315.A O no hydrogen 2.838 N/A ASP 16.A N THR 262.A O no hydrogen 2.843 N/A ILE 18.A N HIS 56.A ND1 no hydrogen 3.094 N/A GLY 19.A N THR 264.A O no hydrogen 3.188 N/A ALA 20.A N ILE 57.A O no hydrogen 3.381 N/A VAL 21.A N ALA 266.A O no hydrogen 2.723 N/A SER 22.A N LYS 59.A O no hydrogen 2.668 N/A SER 22.A OG SER 28.A OG no hydrogen 2.789 N/A SER 22.A OG GLU 90.A OE1 no hydrogen 2.864 N/A SER 22.A OG GLU 90.A OE2 no hydrogen 3.174 N/A GLY 23.A N THR 27.A OG1 no hydrogen 3.085 N/A GLY 24.A N GLU 61.A OE1 no hydrogen 2.722 N/A ALA 26.A N GLU 73.A OE2 no hydrogen 2.702 N/A SER 28.A OG SER 22.A OG no hydrogen 2.789 N/A ARG 29.A N ALA 26.A O no hydrogen 3.315 N/A ARG 29.A NE PHE 464.A O no hydrogen 2.887 N/A ARG 29.A NH1 ARG 29.A O no hydrogen 2.946 N/A ARG 29.A NH2 ALA 461.A O no hydrogen 2.863 N/A ARG 29.A NH2 PHE 464.A O no hydrogen 2.727 N/A LEU 30.A N SER 272.A O no hydrogen 2.799 N/A LEU 31.A N SER 28.A O no hydrogen 3.193 N/A ASN 33.A ND2 ASN 463.A OD1 no hydrogen 3.136 N/A TYR 34.A N LEU 31.A O no hydrogen 3.255 N/A TYR 34.A OH HIS 294.A O no hydrogen 2.691 N/A ARG 39.A N PRO 35.A O no hydrogen 3.177 N/A ARG 39.A NH1 VAL 32.A O no hydrogen 2.701 N/A SER 40.A N GLU 36.A OE1 no hydrogen 3.243 N/A GLU 41.A N PRO 37.A O no hydrogen 2.947 N/A ILE 42.A N TYR 38.A O no hydrogen 2.877 N/A LEU 43.A N ARG 39.A O no hydrogen 3.135 N/A ASP 44.A N SER 40.A O no hydrogen 3.024 N/A TYR 45.A N GLU 41.A O no hydrogen 2.989 N/A LEU 46.A N ILE 42.A O no hydrogen 3.252 N/A LEU 46.A N LEU 43.A O no hydrogen 3.236 N/A PHE 47.A N LEU 43.A O no hydrogen 2.826 N/A LYS 48.A N ASP 44.A O no hydrogen 2.985 N/A ALA 53.A N TYR 45.A O no hydrogen 2.674 N/A SER 54.A OG LYS 48.A O no hydrogen 3.366 N/A SER 54.A OG GLY 52.A O no hydrogen 2.856 N/A LEU 55.A N LEU 46.A O no hydrogen 3.132 N/A HIS 56.A N ILE 18.A O no hydrogen 2.939 N/A HIS 56.A NE2 THR 308.A O no hydrogen 3.043 N/A LEU 58.A N ILE 105.A O no hydrogen 2.602 N/A LYS 59.A N ALA 20.A O no hydrogen 2.967 N/A LYS 59.A NZ ASP 187.A OD1 no hydrogen 3.046 N/A LYS 59.A NZ SER 233.A O no hydrogen 2.782 N/A VAL 60.A N MET 107.A O no hydrogen 2.810 N/A GLU 61.A N SER 22.A O no hydrogen 2.945 N/A ILE 62.A N LEU 109.A O no hydrogen 2.799 N/A ASP 65.A N GLU 73.A O no hydrogen 2.938 N/A GLY 66.A N SER 112.A OG no hydrogen 2.998 N/A GLN 67.A N ASP 500.A OD2 no hydrogen 2.734 N/A GLN 67.A NE2 GLN 467.A O no hydrogen 2.833 N/A GLN 67.A NE2 GLN 467.A OE1 no hydrogen 3.101 N/A THR 68.A N GLY 71.A O no hydrogen 2.942 N/A THR 68.A OG1 GLU 61.A OE1 no hydrogen 3.092 N/A THR 68.A OG1 GLU 61.A OE2 no hydrogen 3.235 N/A THR 68.A OG1 GLY 71.A O no hydrogen 3.409 N/A THR 69.A N GLN 67.A OE1 no hydrogen 2.798 N/A THR 69.A OG1 GLY 24.A O no hydrogen 3.256 N/A THR 69.A OG1 THR 68.A O no hydrogen 2.375 N/A ASP 70.A N GLY 25.A O no hydrogen 2.972 N/A GLY 71.A N GLN 67.A OE1 no hydrogen 2.890 N/A THR 72.A N ASP 466.A O no hydrogen 2.877 N/A THR 72.A OG1 GLY 469.A O no hydrogen 2.815 N/A SER 75.A N ASP 65.A OD1 no hydrogen 2.675 N/A SER 75.A OG TYR 134.A OH no hydrogen 2.791 N/A HIS 76.A NE2 TYR 134.A O no hydrogen 2.891 N/A MET 77.A N SER 75.A OG no hydrogen 3.070 N/A HIS 78.A N ASP 82.A OD2 no hydrogen 3.015 N/A HIS 78.A ND1 ASP 65.A OD2 no hydrogen 2.786 N/A HIS 78.A NE2 GLU 472.A OE2 no hydrogen 2.746 N/A TYR 79.A OH VAL 489.A O no hydrogen 2.495 N/A ASP 82.A N TYR 79.A O no hydrogen 3.135 N/A ASN 84.A N HIS 76.A O no hydrogen 2.932 N/A TYR 85.A OH GLU 83.A OE1 no hydrogen 2.644 N/A TYR 85.A OH ARG 137.A O no hydrogen 3.379 N/A PHE 86.A N ASN 84.A OD1 no hydrogen 2.883 N/A ARG 87.A NH1 SER 75.A O no hydrogen 2.849 N/A ARG 87.A NH1 ASP 82.A OD2 no hydrogen 3.039 N/A ARG 87.A NH2 ASP 82.A OD1 no hydrogen 3.152 N/A ARG 87.A NH2 ASP 82.A OD2 no hydrogen 2.834 N/A GLY 88.A N SER 459.A OG no hydrogen 3.176 N/A LEU 93.A N TYR 89.A O no hydrogen 3.012 N/A MET 94.A N GLU 90.A O no hydrogen 3.007 N/A LYS 95.A N TRP 91.A O no hydrogen 3.032 N/A LYS 95.A NZ HIS 146.A ND1 no hydrogen 2.975 N/A GLU 96.A N TRP 92.A O no hydrogen 2.838 N/A ALA 97.A N LEU 93.A O no hydrogen 2.919 N/A LYS 98.A N.A MET 94.A O no hydrogen 2.880 N/A LYS 98.A N.B MET 94.A O no hydrogen 2.882 N/A LYS 98.A NZ.A PRO 102.A O no hydrogen 3.417 N/A LYS 98.A NZ.A ILE 104.A O no hydrogen 2.965 N/A LYS 99.A N LYS 95.A O no hydrogen 2.933 N/A ARG 100.A N GLU 96.A O no hydrogen 3.446 N/A ARG 100.A NE ASP 44.A OD1 no hydrogen 2.664 N/A ARG 100.A NH1 GLU 96.A O no hydrogen 2.775 N/A ARG 100.A NH1 GLU 96.A OE1 no hydrogen 3.025 N/A ARG 100.A NH2 SER 40.A O no hydrogen 3.283 N/A ASN 101.A N ALA 97.A O no hydrogen 2.950 N/A ASN 101.A ND2 LEU 55.A O no hydrogen 3.385 N/A ASP 103.A N ASN 101.A OD1 no hydrogen 3.081 N/A ILE 104.A N ASN 101.A O no hydrogen 2.939 N/A ILE 105.A N HIS 56.A O no hydrogen 2.818 N/A LEU 106.A N ASP 151.A OD2 no hydrogen 2.709 N/A MET 107.A N LEU 58.A O no hydrogen 2.864 N/A GLY 108.A N TYR 152.A O no hydrogen 3.010 N/A LEU 109.A N VAL 60.A O no hydrogen 3.132 N/A PHE 113.A N ILE 495.A O no hydrogen 3.112 N/A TRP 116.A NE1 MET 77.A O no hydrogen 3.038 N/A LEU 117.A N PRO 114.A O no hydrogen 3.250 N/A GLY 118.A N GLY 115.A O no hydrogen 2.841 N/A LYS 119.A N TRP 116.A O no hydrogen 3.204 N/A PHE 121.A N GLY 118.A O no hydrogen 3.090 N/A TYR 125.A OH PRO 160.A O no hydrogen 2.831 N/A GLN 129.A N.B GLN 129.A OE1.B no hydrogen 2.488 N/A LEU 130.A N ASN 127.A OD1 no hydrogen 3.124 N/A THR 131.A N ASN 127.A O no hydrogen 3.079 N/A THR 131.A OG1 PRO 124.A O no hydrogen 2.475 N/A THR 131.A OG1 ASN 127.A O no hydrogen 3.515 N/A ALA 132.A N LEU 128.A O no hydrogen 3.035 N/A TYR 133.A N GLN 129.A O.A no hydrogen 2.830 N/A TYR 133.A N GLN 129.A O.B no hydrogen 2.807 N/A TYR 134.A N LEU 130.A O no hydrogen 2.923 N/A TYR 134.A OH SER 75.A OG no hydrogen 2.791 N/A VAL 135.A N THR 131.A O no hydrogen 3.033 N/A VAL 136.A N ALA 132.A O no hydrogen 2.867 N/A ARG 137.A N TYR 133.A O no hydrogen 2.998 N/A ILE 139.A N VAL 135.A O no hydrogen 3.347 N/A LEU 140.A N VAL 136.A O no hydrogen 2.848 N/A GLY 141.A N ARG 137.A O no hydrogen 2.784 N/A ALA 142.A N TRP 138.A O no hydrogen 2.993 N/A LYS 143.A N ILE 139.A O no hydrogen 3.335 N/A LYS 143.A NZ ASP 149.A OD1 no hydrogen 2.863 N/A HIS 144.A N LEU 140.A O no hydrogen 2.856 N/A TYR 145.A N GLY 141.A O no hydrogen 2.836 N/A HIS 146.A N ALA 142.A O no hydrogen 3.256 N/A HIS 146.A NE2 TYR 85.A O no hydrogen 2.717 N/A ASP 147.A N LYS 143.A O no hydrogen 2.943 N/A LEU 148.A N ALA 142.A O no hydrogen 2.873 N/A ASP 151.A N LEU 106.A O no hydrogen 2.775 N/A TYR 152.A N LEU 106.A O no hydrogen 3.122 N/A ILE 153.A N ARG 182.A O no hydrogen 2.746 N/A GLY 154.A N GLY 108.A O no hydrogen 3.102 N/A TRP 156.A NE1 TRP 111.A O no hydrogen 2.741 N/A ASN 157.A N PRO 110.A O no hydrogen 2.955 N/A GLU 158.A N ASP 187.A O no hydrogen 2.776 N/A ARG 159.A N TRP 156.A O no hydrogen 3.026 N/A ARG 159.A NH1 GLU 158.A O no hydrogen 2.661 N/A ARG 159.A NH2 TRP 497.A O no hydrogen 2.739 N/A TYR 165.A N ASP 162.A OD1 no hydrogen 2.905 N/A ILE 166.A N ASP 162.A O no hydrogen 3.059 N/A LYS 167.A N ALA 163.A O no hydrogen 3.123 N/A LYS 167.A NZ ASP 200.A OD2 no hydrogen 2.800 N/A GLU 168.A N ASN 164.A O no hydrogen 2.886 N/A LEU 169.A N TYR 165.A O no hydrogen 2.670 N/A ARG 170.A N ILE 166.A O no hydrogen 3.009 N/A ARG 170.A NE ARG 170.A O no hydrogen 3.274 N/A ARG 170.A NE ASP 174.A OD1 no hydrogen 3.098 N/A ARG 170.A NH1 VAL 181.A O no hydrogen 2.766 N/A ARG 170.A NH2 ASP 174.A OD1 no hydrogen 3.032 N/A ARG 170.A NH2 VAL 181.A O no hydrogen 3.022 N/A LYS 171.A N LYS 167.A O no hydrogen 3.049 N/A MET 172.A N GLU 168.A O no hydrogen 2.817 N/A LEU 173.A N LEU 169.A O no hydrogen 2.913 N/A ASP 174.A N ARG 170.A O no hydrogen 2.992 N/A TYR 175.A N LYS 171.A O no hydrogen 2.936 N/A GLN 176.A N MET 172.A O no hydrogen 3.192 N/A GLN 176.A N LEU 173.A O no hydrogen 3.224 N/A GLY 177.A N ASP 174.A O no hydrogen 3.002 N/A LEU 178.A N LEU 173.A O no hydrogen 2.823 N/A GLN 179.A N GLN 179.A OE1 no hydrogen 2.564 N/A ARG 180.A NH2 ASP 151.A OD1 no hydrogen 3.400 N/A VAL 181.A N LEU 178.A O no hydrogen 2.994 N/A ARG 182.A N ASP 151.A O no hydrogen 2.996 N/A ILE 183.A N ASP 208.A OD2 no hydrogen 2.946 N/A ILE 184.A N ILE 153.A O no hydrogen 2.947 N/A ALA 185.A N VAL 209.A O no hydrogen 2.986 N/A SER 194.A N TRP 190.A O no hydrogen 2.923 N/A SER 194.A OG TRP 190.A O no hydrogen 2.695 N/A SER 195.A N GLU 191.A OE1 no hydrogen 2.924 N/A SER 195.A OG GLU 191.A OE1 no hydrogen 2.800 N/A SER 195.A OG PRO 192.A O no hydrogen 3.324 N/A SER 196.A N PRO 192.A O no hydrogen 3.133 N/A SER 196.A OG PRO 192.A O no hydrogen 2.761 N/A LEU 197.A N ILE 193.A O no hydrogen 3.050 N/A LEU 198.A N SER 195.A O no hydrogen 2.943 N/A LEU 199.A N SER 195.A O no hydrogen 3.141 N/A LEU 199.A N SER 196.A O no hydrogen 3.237 N/A LEU 203.A N ASP 200.A OD1 no hydrogen 3.125 N/A TRP 204.A N ASP 200.A O no hydrogen 2.975 N/A TRP 204.A NE1 SER 226.A O no hydrogen 3.024 N/A LYS 205.A N GLN 201.A O no hydrogen 2.860 N/A VAL 206.A N LEU 203.A O no hydrogen 3.031 N/A VAL 207.A N LEU 203.A O no hydrogen 3.207 N/A ASP 208.A N ILE 183.A O no hydrogen 2.961 N/A VAL 209.A N ILE 183.A O no hydrogen 3.253 N/A ILE 210.A N LYS 229.A O no hydrogen 2.991 N/A GLY 211.A N ALA 185.A O no hydrogen 2.855 N/A ALA 212.A N TRP 231.A O no hydrogen 2.923 N/A HIS 213.A N ASN 188.A O no hydrogen 2.816 N/A HIS 213.A ND1 GLU 158.A OE2 no hydrogen 2.701 N/A HIS 213.A NE2 ASP 187.A OD1 no hydrogen 2.667 N/A TYR 214.A N GLU 234.A O no hydrogen 2.880 N/A TYR 214.A OH GLU 234.A OE2 no hydrogen 2.759 N/A THR 217.A OG1 GLY 216.A O no hydrogen 2.570 N/A TYR 218.A N PRO 215.A O no hydrogen 3.276 N/A VAL 220.A N THR 219.A OG1 no hydrogen 2.718 N/A ASN 222.A ND2 GLU 191.A OE2 no hydrogen 2.860 N/A ALA 223.A N VAL 220.A O no hydrogen 3.115 N/A LYS 224.A N VAL 220.A O no hydrogen 3.366 N/A MET 225.A N TRP 221.A O no hydrogen 2.972 N/A SER 226.A N ASN 222.A O no hydrogen 3.210 N/A SER 226.A N ALA 223.A O no hydrogen 3.211 N/A SER 226.A OG ALA 223.A O no hydrogen 2.558 N/A GLY 227.A N LYS 224.A O no hydrogen 3.432 N/A LYS 228.A N SER 226.A OG no hydrogen 3.093 N/A LYS 228.A NZ TRP 204.A O no hydrogen 2.827 N/A LYS 228.A NZ VAL 207.A O no hydrogen 2.840 N/A LYS 229.A NZ GLU 14.A OE1 no hydrogen 2.948 N/A LYS 229.A NZ ASP 16.A OD1 no hydrogen 2.906 N/A TRP 231.A N ILE 210.A O no hydrogen 2.997 N/A TRP 231.A NE1 ASP 16.A OD2 no hydrogen 2.886 N/A SER 232.A N SER 263.A O no hydrogen 2.807 N/A SER 232.A OG ASP 235.A OD2 no hydrogen 2.806 N/A SER 233.A N ALA 212.A O no hydrogen 3.009 N/A SER 233.A OG ASP 187.A OD1 no hydrogen 2.818 N/A ASP 235.A N ILE 265.A O no hydrogen 2.824 N/A PHE 236.A N ASP 235.A OD1 no hydrogen 3.117 N/A SER 237.A N TRP 267.A O no hydrogen 2.858 N/A SER 237.A OG SER 237.A O no hydrogen 2.657 N/A THR 238.A OG1 PHE 236.A O no hydrogen 2.953 N/A ASN 240.A N ARG 281.A O.A no hydrogen 2.962 N/A ASN 240.A N ARG 281.A O.B no hydrogen 3.000 N/A ASN 240.A ND2 GLY 283.A O no hydrogen 2.923 N/A ASN 240.A ND2 THR 286.A OG1 no hydrogen 2.992 N/A ALA 245.A N SER 241.A O no hydrogen 3.242 N/A GLY 246.A N ASN 242.A O no hydrogen 3.076 N/A CYS 247.A N VAL 243.A O no hydrogen 2.857 N/A TRP 248.A N GLY 244.A O no hydrogen 2.884 N/A TRP 248.A NE1 SER 304.A OG no hydrogen 2.825 N/A SER 249.A N ALA 245.A O no hydrogen 2.859 N/A ARG 250.A N GLY 246.A O no hydrogen 2.910 N/A ARG 250.A NE SER 352.A OG no hydrogen 3.150 N/A ARG 250.A NH2 SER 352.A O no hydrogen 2.705 N/A ILE 251.A N CYS 247.A O no hydrogen 3.104 N/A LEU 252.A N TRP 248.A O no hydrogen 3.022 N/A ASN 253.A ND2 ILE 343.A O no hydrogen 3.013 N/A GLN 254.A N ARG 250.A O no hydrogen 2.941 N/A ASN 255.A N ILE 251.A O no hydrogen 2.797 N/A ASN 255.A ND2 ASP 235.A OD2 no hydrogen 3.507 N/A ASN 255.A ND2 THR 264.A OG1 no hydrogen 2.744 N/A TYR 256.A N ASN 253.A O no hydrogen 3.274 N/A ILE 257.A N ASN 253.A O no hydrogen 3.266 N/A ASN 258.A N GLN 254.A O no hydrogen 2.729 N/A ASN 258.A ND2 THR 217.A OG1 no hydrogen 3.120 N/A ASN 258.A ND2 GLN 254.A OE1 no hydrogen 3.209 N/A GLY 259.A N ASN 255.A O no hydrogen 3.177 N/A ASN 260.A N TYR 256.A O no hydrogen 2.841 N/A MET 261.A N ASN 255.A O no hydrogen 3.045 N/A THR 262.A N LEU 230.A O no hydrogen 2.877 N/A THR 262.A OG1 ASP 16.A OD2 no hydrogen 2.674 N/A SER 263.A OG GLY 17.A O no hydrogen 2.782 N/A ILE 265.A N SER 232.A O no hydrogen 2.889 N/A ALA 266.A N GLY 19.A O no hydrogen 2.902 N/A TRP 267.A N ASP 235.A O no hydrogen 2.961 N/A TRP 267.A NE1 GLY 23.A O no hydrogen 2.878 N/A ASN 268.A N SER 282.A O no hydrogen 2.800 N/A ASN 268.A ND2 TYR 273.A OH no hydrogen 3.267 N/A LEU 269.A N VAL 21.A O no hydrogen 2.878 N/A ALA 271.A N MET 285.A O no hydrogen 2.844 N/A SER 272.A N THR 27.A O no hydrogen 2.964 N/A SER 272.A N VAL 270.A O no hydrogen 2.947 N/A SER 272.A OG ALA 287.A O no hydrogen 2.838 N/A TYR 273.A OH TYR 279.A O no hydrogen 2.525 N/A TYR 274.A OH ASN 463.A O no hydrogen 3.016 N/A LEU 277.A N TYR 274.A O no hydrogen 3.051 N/A ARG 281.A NE.A ASN 240.A OD1 no hydrogen 2.724 N/A ARG 281.A NH2.A ASN 240.A OD1 no hydrogen 2.731 N/A SER 282.A N TYR 273.A OH no hydrogen 3.391 N/A SER 282.A OG TYR 279.A O no hydrogen 3.057 N/A SER 282.A OG GLY 280.A O no hydrogen 3.508 N/A LEU 284.A N ASN 268.A O no hydrogen 3.069 N/A LEU 284.A N LEU 269.A O no hydrogen 3.252 N/A THR 286.A N VAL 296.A O no hydrogen 3.091 N/A ALA 287.A N ALA 271.A O no hydrogen 3.055 N/A GLN 288.A NE2 GLU 275.A OE1.B no hydrogen 3.226 N/A GLU 289.A N TYR 34.A OH no hydrogen 2.816 N/A TRP 291.A NE1 LYS 441.A O no hydrogen 3.008 N/A SER 292.A N GLU 289.A O no hydrogen 3.134 N/A SER 292.A OG GLU 289.A O no hydrogen 3.274 N/A SER 292.A OG GLU 289.A OE1 no hydrogen 2.733 N/A GLY 293.A N GLU 289.A O no hydrogen 2.916 N/A HIS 294.A N SER 292.A OG no hydrogen 3.018 N/A HIS 294.A ND1 PRO 438.A O no hydrogen 2.837 N/A TYR 295.A OH GLU 41.A OE1 no hydrogen 2.515 N/A VAL 296.A N THR 286.A O no hydrogen 2.785 N/A SER 299.A OG ASN 242.A OD1 no hydrogen 3.225 N/A ILE 301.A N ALA 298.A O no hydrogen 3.068 N/A TRP 302.A N SER 299.A O no hydrogen 2.994 N/A VAL 303.A N SER 299.A O no hydrogen 3.266 N/A SER 304.A N PRO 300.A O no hydrogen 2.931 N/A SER 304.A OG PRO 300.A O no hydrogen 2.841 N/A ALA 305.A N ILE 301.A O no hydrogen 3.140 N/A HIS 306.A N TRP 302.A O no hydrogen 3.124 N/A HIS 306.A N VAL 303.A O no hydrogen 3.228 N/A HIS 306.A ND1 THR 422.A OG1 no hydrogen 2.734 N/A HIS 306.A NE2 THR 388.A OG1 no hydrogen 2.527 N/A THR 307.A N SER 304.A O no hydrogen 2.881 N/A THR 308.A N SER 304.A O no hydrogen 2.827 N/A THR 308.A OG1 ALA 53.A O no hydrogen 2.605 N/A THR 308.A OG1 SER 304.A O no hydrogen 2.944 N/A GLN 309.A N ALA 305.A O no hydrogen 3.080 N/A GLN 309.A NE2 GLY 52.A O no hydrogen 3.590 N/A GLN 309.A NE2 ARG 430.A O no hydrogen 2.736 N/A PHE 310.A N THR 307.A O no hydrogen 3.218 N/A THR 311.A OG1 THR 307.A O no hydrogen 2.538 N/A GLY 314.A N PHE 15.A O no hydrogen 2.958 N/A TRP 315.A N GLN 312.A O no hydrogen 2.949 N/A TYR 316.A N THR 334.A O no hydrogen 2.804 N/A TYR 317.A N ARG 13.A O no hydrogen 2.890 N/A LEU 318.A N ALA 332.A O no hydrogen 2.864 N/A LYS 319.A NZ ASP 9.A O no hydrogen 2.742 N/A LYS 319.A NZ ASP 9.A OD2 no hydrogen 3.261 N/A VAL 321.A N LYS 319.A O no hydrogen 3.177 N/A GLY 322.A N TYR 330.A O no hydrogen 3.197 N/A HIS 323.A NE2 ASN 258.A OD1 no hydrogen 2.980 N/A LEU 324.A N GLY 328.A O no hydrogen 2.897 N/A GLU 325.A N TYR 3.A OH no hydrogen 3.277 N/A LYS 326.A N GLN 367.A OE1 no hydrogen 3.252 N/A GLY 327.A N LEU 324.A O no hydrogen 2.990 N/A SER 329.A N GLU 345.A O no hydrogen 2.872 N/A SER 329.A OG GLU 345.A OE1 no hydrogen 2.608 N/A TYR 330.A N GLY 322.A O no hydrogen 2.936 N/A VAL 331.A N ILE 343.A O no hydrogen 3.060 N/A LEU 333.A N THR 341.A O no hydrogen 2.862 N/A THR 334.A N TYR 316.A O no hydrogen 2.959 N/A LEU 337.A N ASP 335.A OD1 no hydrogen 2.923 N/A ASN 339.A N ASP 335.A OD1 no hydrogen 3.139 N/A ASN 339.A ND2 ASP 335.A OD2 no hydrogen 2.724 N/A LEU 340.A N THR 425.A OG1 no hydrogen 3.121 N/A THR 341.A N LEU 333.A O no hydrogen 2.818 N/A THR 341.A OG1 PHE 310.A O no hydrogen 2.665 N/A THR 341.A OG1 THR 424.A OG1 no hydrogen 3.089 N/A ILE 342.A N LEU 423.A O no hydrogen 2.600 N/A ILE 343.A N VAL 331.A O no hydrogen 2.966 N/A ILE 344.A N PHE 421.A O no hydrogen 2.900 N/A GLU 345.A N SER 329.A O no hydrogen 3.015 N/A THR 346.A N GLU 419.A O no hydrogen 3.023 N/A THR 346.A OG1 GLU 416.A O no hydrogen 2.700 N/A THR 346.A OG1 GLU 419.A O no hydrogen 3.445 N/A MET 347.A N GLU 345.A OE2 no hydrogen 2.803 N/A SER 348.A N ASP 418.A OD1 no hydrogen 2.845 N/A SER 348.A OG ASP 418.A OD1 no hydrogen 2.787 N/A SER 348.A OG ASP 418.A OD2 no hydrogen 3.423 N/A HIS 349.A NE2 LEU 359.A O no hydrogen 2.849 N/A HIS 351.A N SER 348.A O no hydrogen 3.302 N/A HIS 351.A ND1 ASP 418.A OD2 no hydrogen 2.775 N/A SER 352.A N HIS 349.A O no hydrogen 3.197 N/A SER 352.A OG SER 348.A O no hydrogen 2.694 N/A SER 352.A OG TYR 362.A OH no hydrogen 3.052 N/A TYR 361.A OH ASN 363.A OD1 no hydrogen 2.670 N/A TYR 362.A OH MET 347.A O no hydrogen 2.718 N/A TYR 362.A OH SER 352.A OG no hydrogen 3.052 N/A SER 365.A N LYS 326.A O no hydrogen 3.206 N/A GLN 367.A N LEU 415.A O no hydrogen 3.066 N/A GLN 367.A NE2 GLY 327.A O no hydrogen 2.640 N/A ALA 369.A N LEU 413.A O no hydrogen 2.879 N/A THR 370.A N GLY 1.A O no hydrogen 3.189 N/A THR 370.A OG1 THR 412.A OG1 no hydrogen 2.811 N/A PHE 371.A N PHE 411.A O no hydrogen 2.766 N/A THR 372.A N TYR 3.A O no hydrogen 3.042 N/A LEU 373.A N GLY 409.A O no hydrogen 2.240 N/A LYS 374.A N LEU 5.A O no hydrogen 2.709 N/A SER 376.A N ASP 7.A OD1 no hydrogen 3.414 N/A LEU 377.A N LYS 374.A O no hydrogen 3.166 N/A ARG 378.A N GLY 375.A O no hydrogen 2.939 N/A ARG 378.A NH1 LEU 373.A O no hydrogen 3.465 N/A ILE 380.A N LEU 377.A O no hydrogen 3.218 N/A LEU 383.A N LEU 402.A O no hydrogen 2.945 N/A GLN 384.A N THR 424.A O no hydrogen 2.830 N/A GLN 384.A NE2 GLU 382.A OE2 no hydrogen 3.307 N/A TRP 386.A N THR 422.A O no hydrogen 2.868 N/A TYR 387.A N LYS 397.A O no hydrogen 2.843 N/A TYR 387.A OH GLU 419.A OE2 no hydrogen 3.149 N/A THR 388.A N ILE 420.A O no hydrogen 2.834 N/A THR 388.A OG1 HIS 306.A NE2 no hydrogen 2.527 N/A LYS 389.A N LEU 394.A O no hydrogen 2.729 N/A LYS 389.A NZ GLU 417.A O no hydrogen 3.033 N/A LEU 390.A N ASP 418.A O no hydrogen 3.112 N/A PHE 396.A N THR 388.A OG1 no hydrogen 2.716 N/A LYS 397.A N TYR 387.A O no hydrogen 2.934 N/A LEU 399.A N VAL 385.A O no hydrogen 2.860 N/A THR 401.A OG1 GLN 384.A OE1 no hydrogen 3.041 N/A LEU 402.A N LEU 383.A O no hydrogen 3.013 N/A LEU 404.A N GLN 381.A O no hydrogen 2.629 N/A SER 408.A OG SER 408.A O no hydrogen 2.427 N/A SER 410.A N SER 408.A O no hydrogen 2.048 N/A SER 410.A OG PHE 371.A O no hydrogen 3.270 N/A PHE 411.A N PHE 371.A O no hydrogen 3.120 N/A THR 412.A OG1 THR 370.A OG1 no hydrogen 2.811 N/A LEU 413.A N ALA 369.A O no hydrogen 2.754 N/A LEU 415.A N GLN 367.A O no hydrogen 2.828 N/A GLU 416.A N GLU 419.A OE1 no hydrogen 2.918 N/A ASP 418.A N THR 346.A O no hydrogen 2.911 N/A GLU 419.A N THR 346.A OG1 no hydrogen 2.999 N/A ILE 420.A N THR 388.A O no hydrogen 2.927 N/A PHE 421.A N ILE 344.A O no hydrogen 2.989 N/A THR 422.A N TRP 386.A O no hydrogen 2.702 N/A THR 422.A OG1 HIS 306.A ND1 no hydrogen 2.734 N/A THR 422.A OG1 HIS 306.A O no hydrogen 2.863 N/A LEU 423.A N ILE 342.A O no hydrogen 2.732 N/A THR 424.A N GLN 384.A O no hydrogen 3.250 N/A THR 424.A OG1 LEU 340.A O no hydrogen 3.471 N/A THR 424.A OG1 THR 341.A OG1 no hydrogen 3.089 N/A THR 425.A N LEU 340.A O no hydrogen 3.049 N/A THR 425.A OG1 ASN 339.A OD1 no hydrogen 2.809 N/A LEU 426.A N THR 424.A OG1 no hydrogen 2.925 N/A THR 428.A OG1 ASN 50.A OD1 no hydrogen 3.478 N/A ARG 430.A N GLN 309.A OE1 no hydrogen 2.861 N/A LYS 431.A NZ HIS 395.A O no hydrogen 2.829 N/A GLY 432.A N PHE 51.A O no hydrogen 2.814 N/A TYR 434.A N TYR 45.A OH no hydrogen 2.868 N/A TYR 434.A OH ASP 44.A OD2 no hydrogen 2.571 N/A SER 440.A OG GLU 289.A OE2 no hydrogen 2.786 N/A LYS 441.A N GLU 289.A OE1 no hydrogen 3.001 N/A TYR 447.A N VAL 637.A O no hydrogen 2.931 N/A ASP 449.A N PHE 635.A O no hydrogen 2.652 N/A PHE 451.A N ASP 449.A OD1 no hydrogen 2.787 N/A ASN 452.A N ASP 450.A OD1 no hydrogen 3.050 N/A VAL 453.A N PHE 451.A O no hydrogen 2.998 N/A ASN 463.A ND2 TYR 447.A OH no hydrogen 3.019 N/A ALA 465.A N VAL 507.A O no hydrogen 2.916 N/A GLN 467.A N ILE 505.A O no hydrogen 2.777 N/A GLN 467.A NE2 ASP 70.A O no hydrogen 3.224 N/A GLN 467.A NE2 ALA 465.A O no hydrogen 3.155 N/A THR 468.A N ILE 505.A O no hydrogen 3.264 N/A THR 468.A OG1 GLN 467.A O no hydrogen 2.588 N/A VAL 470.A N GLN 488.A OE1 no hydrogen 3.043 N/A PHE 471.A N ASP 466.A OD2 no hydrogen 2.826 N/A GLU 472.A N ARG 487.A O no hydrogen 2.745 N/A TYR 473.A N SER 459.A O no hydrogen 2.844 N/A TYR 474.A N THR 485.A O no hydrogen 2.796 N/A ASN 476.A N ARG 483.A O no hydrogen 2.730 N/A GLU 478.A N ASN 476.A OD1 no hydrogen 3.036 N/A ASP 479.A N ASN 476.A O no hydrogen 3.086 N/A HIS 482.A N ASP 479.A OD1 no hydrogen 2.649 N/A HIS 482.A ND1 ASP 633.A OD2 no hydrogen 2.650 N/A ARG 483.A NE ASN 477.A OD1 no hydrogen 3.025 N/A ARG 483.A NH2 ASN 477.A OD1 no hydrogen 3.145 N/A THR 485.A N TYR 474.A O no hydrogen 2.850 N/A THR 485.A OG1 GLN 631.A OE1 no hydrogen 3.097 N/A LEU 486.A N PHE 632.A O no hydrogen 2.972 N/A ARG 487.A N GLU 472.A O no hydrogen 2.768 N/A ARG 487.A NE GLU 525.A OE2 no hydrogen 2.920 N/A ARG 487.A NH2 GLU 525.A OE1 no hydrogen 2.952 N/A ARG 487.A NH2 GLU 525.A OE2 no hydrogen 3.433 N/A GLN 488.A N ALA 630.A O no hydrogen 3.008 N/A GLN 488.A NE2 LEU 490.A O no hydrogen 2.947 N/A GLN 488.A NE2 GLU 628.A O no hydrogen 2.797 N/A VAL 489.A N VAL 470.A O no hydrogen 2.895 N/A LEU 490.A N GLN 488.A OE1 no hydrogen 3.043 N/A ARG 493.A NH1 ASP 500.A O no hydrogen 3.460 N/A ARG 493.A NH1 ALA 501.A O no hydrogen 2.915 N/A ARG 493.A NH2 ASP 500.A O no hydrogen 2.701 N/A ILE 495.A N PHE 113.A O no hydrogen 2.763 N/A TRP 497.A NE1 ASN 157.A O no hydrogen 2.714 N/A ALA 501.A N THR 468.A OG1 no hydrogen 3.120 N/A SER 503.A OG HIS 625.A O no hydrogen 2.580 N/A THR 504.A N THR 624.A O no hydrogen 3.068 N/A THR 504.A OG1 THR 624.A OG1 no hydrogen 2.431 N/A ILE 505.A N THR 468.A O no hydrogen 2.794 N/A SER 506.A N ILE 622.A O no hydrogen 2.891 N/A SER 506.A OG ASP 466.A OD1 no hydrogen 2.803 N/A VAL 507.A N ALA 465.A O no hydrogen 3.023 N/A ILE 508.A N ALA 620.A O no hydrogen 2.933 N/A GLY 509.A N TYR 274.A OH no hydrogen 3.054 N/A HIS 511.A NE2 ASN 539.A O no hydrogen 3.048 N/A HIS 512.A N ASP 510.A OD1 no hydrogen 2.904 N/A HIS 512.A ND1 ASP 510.A OD1 no hydrogen 3.077 N/A TRP 513.A N ASP 510.A O no hydrogen 2.818 N/A THR 514.A N ALA 640.A O no hydrogen 3.173 N/A THR 514.A OG1 GLY 616.A O no hydrogen 2.853 N/A ASN 515.A N ALA 640.A O no hydrogen 3.399 N/A MET 516.A N ILE 592.A O no hydrogen 3.041 N/A THR 517.A N GLU 638.A O no hydrogen 2.707 N/A VAL 518.A N LEU 590.A O no hydrogen 2.853 N/A GLN 519.A N ARG 636.A O no hydrogen 2.926 N/A CYS 520.A N LEU 588.A O no hydrogen 2.950 N/A CYS 520.A SG ASP 521.A O no hydrogen 3.354 N/A CYS 520.A SG ASP 633.A O no hydrogen 3.661 N/A ASP 521.A N ASP 633.A O no hydrogen 2.789 N/A VAL 522.A N TYR 586.A O no hydrogen 2.770 N/A TYR 523.A N GLN 631.A O no hydrogen 2.981 N/A SER 529.A N PRO 527.A O no hydrogen 2.693 N/A GLY 530.A N THR 526.A O no hydrogen 3.225 N/A GLY 531.A N GLU 628.A OE1 no hydrogen 3.060 N/A VAL 532.A N ILE 555.A O no hydrogen 2.988 N/A PHE 533.A N GLY 623.A O no hydrogen 3.058 N/A ILE 534.A N PHE 553.A O no hydrogen 3.234 N/A ALA 535.A N ALA 621.A O no hydrogen 2.893 N/A GLY 536.A N VAL 551.A O no hydrogen 3.118 N/A ARG 537.A NE THR 514.A O no hydrogen 2.629 N/A ARG 537.A NH1 GLY 594.A O no hydrogen 3.212 N/A ARG 537.A NH2 THR 514.A O no hydrogen 2.988 N/A ARG 537.A NH2 ASN 515.A OD1 no hydrogen 3.361 N/A ARG 537.A NH2 GLY 594.A O no hydrogen 3.089 N/A VAL 538.A N TRP 619.A O no hydrogen 2.996 N/A ASN 539.A N THR 549.A O no hydrogen 3.250 N/A GLY 542.A N GLN 467.A OE1 no hydrogen 2.820 N/A ILE 543.A N THR 69.A O no hydrogen 3.050 N/A LEU 544.A N GLY 541.A O no hydrogen 3.036 N/A ILE 545.A N GLY 542.A O no hydrogen 2.841 N/A ARG 546.A NE ASP 500.A O no hydrogen 3.077 N/A ARG 546.A NH2 SER 502.A OG no hydrogen 2.758 N/A SER 547.A N LEU 544.A O no hydrogen 2.852 N/A ALA 548.A N ILE 545.A O no hydrogen 3.032 N/A THR 549.A N ASN 539.A OD1 no hydrogen 2.792 N/A GLY 550.A N ALA 565.A O no hydrogen 2.807 N/A VAL 551.A N GLY 536.A O no hydrogen 2.885 N/A PHE 552.A N THR 564.A O no hydrogen 2.922 N/A PHE 553.A N ILE 534.A O no hydrogen 2.926 N/A TRP 554.A N ARG 562.A O no hydrogen 2.756 N/A TRP 554.A NE1 THR 564.A OG1 no hydrogen 2.982 N/A ILE 555.A N VAL 532.A O no hydrogen 2.877 N/A PHE 556.A N SER 560.A O no hydrogen 2.884 N/A ALA 557.A N GLY 530.A O no hydrogen 2.830 N/A GLY 559.A N PHE 556.A O no hydrogen 3.160 N/A SER 560.A OG ASN 558.A OD1 no hydrogen 2.503 N/A TYR 561.A N GLY 576.A O no hydrogen 2.912 N/A ARG 562.A N TRP 554.A O no hydrogen 3.125 N/A VAL 563.A N ALA 574.A O no hydrogen 2.605 N/A THR 564.A N PHE 552.A O no hydrogen 2.941 N/A THR 564.A OG1 ASP 566.A O no hydrogen 2.879 N/A ALA 565.A N ILE 571.A O no hydrogen 2.982 N/A LEU 567.A N ALA 548.A O no hydrogen 3.169 N/A GLY 569.A N ASP 566.A O no hydrogen 2.887 N/A TRP 570.A N ASP 566.A OD2 no hydrogen 2.684 N/A ILE 571.A N ASP 566.A OD1 no hydrogen 2.837 N/A TYR 573.A N VAL 563.A O no hydrogen 2.694 N/A ALA 574.A N VAL 563.A O no hydrogen 3.198 N/A GLY 576.A N TYR 561.A O no hydrogen 3.031 N/A ALA 578.A N GLY 559.A O no hydrogen 2.936 N/A THR 581.A N TYR 586.A OH no hydrogen 2.794 N/A LYS 583.A N.A ILE 524.A O no hydrogen 2.646 N/A LYS 583.A N.B ILE 524.A O no hydrogen 2.664 N/A LYS 583.A NZ.B GLU 525.A O no hydrogen 3.160 N/A TYR 586.A N VAL 522.A O no hydrogen 3.038 N/A THR 587.A N ASN 602.A OD1 no hydrogen 2.969 N/A THR 587.A OG1 ASP 521.A OD1 no hydrogen 2.534 N/A LEU 588.A N CYS 520.A O no hydrogen 2.780 N/A THR 589.A N MET 600.A O no hydrogen 3.077 N/A THR 589.A OG1 GLN 519.A OE1 no hydrogen 3.208 N/A LEU 590.A N VAL 518.A O no hydrogen 2.828 N/A GLY 591.A N PHE 598.A O no hydrogen 2.886 N/A ILE 592.A N MET 516.A O no hydrogen 2.866 N/A LYS 593.A N PHE 596.A O no hydrogen 2.892 N/A GLY 594.A N ASN 515.A OD1 no hydrogen 3.053 N/A PHE 596.A N LYS 593.A O no hydrogen 3.030 N/A ALA 597.A N VAL 610.A O no hydrogen 2.828 N/A PHE 598.A N GLY 591.A O no hydrogen 2.926 N/A GLY 599.A N TRP 607.A O no hydrogen 3.007 N/A MET 600.A N THR 589.A O no hydrogen 2.777 N/A LEU 601.A N THR 604.A O no hydrogen 2.727 N/A ASN 602.A N THR 587.A O no hydrogen 2.838 N/A THR 604.A N LEU 601.A O no hydrogen 2.997 N/A LEU 606.A N GLY 599.A O no hydrogen 2.775 N/A TRP 607.A N GLY 599.A O no hydrogen 3.445 N/A VAL 610.A N ALA 597.A O no hydrogen 3.024 N/A VAL 612.A N TYR 595.A O no hydrogen 2.617 N/A LYS 613.A N TYR 573.A OH no hydrogen 3.039 N/A HIS 617.A ND1 HIS 511.A O no hydrogen 3.139 N/A GLY 618.A N TRP 513.A O no hydrogen 2.940 N/A TRP 619.A N VAL 538.A O no hydrogen 2.921 N/A ALA 620.A N ILE 508.A O no hydrogen 3.052 N/A ALA 621.A N ALA 535.A O no hydrogen 2.929 N/A ILE 622.A N SER 506.A O no hydrogen 3.144 N/A GLY 623.A N PHE 533.A O no hydrogen 3.206 N/A THR 624.A N THR 504.A O no hydrogen 3.263 N/A THR 624.A OG1 THR 504.A OG1 no hydrogen 2.431 N/A THR 624.A OG1 THR 626.A O no hydrogen 2.451 N/A HIS 625.A N GLY 531.A O no hydrogen 2.826 N/A THR 626.A N GLU 628.A OE2 no hydrogen 2.877 N/A PHE 627.A N THR 626.A OG1 no hydrogen 2.629 N/A GLN 631.A N TYR 523.A O no hydrogen 2.959 N/A GLN 631.A NE2 GLU 525.A OE2 no hydrogen 2.879 N/A PHE 632.A N LEU 486.A O no hydrogen 2.742 N/A ASP 633.A N ASP 521.A O no hydrogen 2.904 N/A ASN 634.A N ASP 633.A OD1 no hydrogen 2.761 N/A ASN 634.A ND2 ASP 521.A OD2 no hydrogen 2.333 N/A PHE 635.A N ASP 449.A O no hydrogen 2.677 N/A ARG 636.A N GLN 519.A O no hydrogen 2.929 N/A VAL 637.A N TYR 447.A O no hydrogen 2.801 N/A GLU 638.A N THR 517.A O no hydrogen 2.988 N/A ALA 639.A N THR 445.A O no hydrogen 2.783 N/A ALA 640.A N ASN 515.A O no hydrogen 2.556 N/A