Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3au4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A OG1 LEU 44.A O no hydrogen 3.123 N/A GLN 8.A N THR 4.A O no hydrogen 3.108 N/A LEU 9.A N PRO 5.A O no hydrogen 2.845 N/A ILE 10.A N THR 6.A O no hydrogen 2.890 N/A GLN 11.A N GLN 7.A O no hydrogen 3.431 N/A GLN 11.A NE2 GLU 15.A OE2 no hydrogen 2.578 N/A ASP 12.A N GLN 8.A O no hydrogen 3.067 N/A ILE 13.A N LEU 9.A O no hydrogen 2.970 N/A LYS 14.A N ILE 10.A O no hydrogen 2.909 N/A GLU 15.A N GLN 11.A O no hydrogen 3.086 N/A ASN 16.A N ILE 13.A O no hydrogen 2.888 N/A ASN 16.A ND2 ASP 12.A O no hydrogen 2.667 N/A CYS 17.A SG LYS 14.A O no hydrogen 3.540 N/A ASN 19.A N ASN 16.A O no hydrogen 2.900 N/A VAL 22.A N ASN 19.A OD1 no hydrogen 3.123 N/A VAL 23.A N ASN 19.A O no hydrogen 3.240 N/A GLU 24.A N SER 20.A O no hydrogen 2.974 N/A GLN 25.A N ASP 21.A O no hydrogen 3.100 N/A ILE 26.A N VAL 22.A O no hydrogen 2.802 N/A TYR 27.A N VAL 23.A O no hydrogen 3.016 N/A TYR 27.A OH TYR 146.A OH no hydrogen 2.765 N/A LYS 28.A N GLU 24.A O no hydrogen 2.965 N/A ARG 29.A N GLN 25.A O no hydrogen 2.942 N/A ASN 30.A N ILE 26.A O no hydrogen 3.170 N/A ASN 30.A ND2 ILE 26.A O no hydrogen 2.777 N/A LEU 33.A N ASN 30.A O no hydrogen 3.021 N/A ARG 34.A N PRO 31.A O no hydrogen 2.937 N/A ARG 34.A NE TYR 27.A O no hydrogen 2.638 N/A ARG 34.A NH2 LYS 28.A O no hydrogen 2.904 N/A TYR 35.A N ASN 113.A O no hydrogen 2.783 N/A THR 36.A N GLN 111.A OE1 no hydrogen 3.221 N/A HIS 38.A N THR 36.A OG1 no hydrogen 2.984 N/A LEU 44.A N GLU 103.A OE2 no hydrogen 2.728 N/A LEU 45.A N GLU 103.A OE1 no hydrogen 2.847 N/A ILE 52.A N TYR 49.A O no hydrogen 3.159 N/A LEU 56.A N ASN 53.A OD1 no hydrogen 3.101 N/A LEU 57.A N ASN 53.A O no hydrogen 3.020 N/A LYS 58.A N LEU 54.A O no hydrogen 2.937 N/A LYS 58.A NZ THR 63.A O no hydrogen 3.013 N/A ASP 59.A N ASN 55.A O no hydrogen 2.712 N/A LYS 60.A N LEU 56.A O no hydrogen 2.928 N/A LYS 60.A NZ ASP 96.A OD1 no hydrogen 3.295 N/A GLY 61.A N LYS 58.A O no hydrogen 2.870 N/A TYR 62.A N LEU 57.A O no hydrogen 3.159 N/A TYR 62.A OH ASP 96.A OD2 no hydrogen 2.685 N/A THR 63.A N GLU 68.A OE2 no hydrogen 3.061 N/A THR 63.A OG1 ASP 67.A OD2 no hydrogen 2.710 N/A THR 63.A OG1 GLU 68.A OE2 no hydrogen 3.035 N/A LEU 65.A N TYR 49.A OH no hydrogen 3.127 N/A ASP 67.A N THR 64.A OG1 no hydrogen 3.135 N/A GLU 68.A N THR 64.A O no hydrogen 2.918 N/A ALA 69.A N LEU 65.A O no hydrogen 2.953 N/A ILE 70.A N GLN 66.A O no hydrogen 3.211 N/A LYS 71.A N ASP 67.A O no hydrogen 2.941 N/A LYS 71.A NZ ASP 67.A OD2 no hydrogen 2.695 N/A ILE 72.A N GLU 68.A O no hydrogen 3.096 N/A PHE 73.A N ALA 69.A O no hydrogen 3.350 N/A ASN 74.A N ILE 70.A O no hydrogen 2.978 N/A SER 75.A N LYS 71.A O no hydrogen 3.105 N/A SER 75.A OG LYS 71.A O no hydrogen 3.164 N/A LEU 76.A N ILE 72.A O no hydrogen 2.871 N/A GLN 77.A N PHE 73.A O no hydrogen 2.978 N/A GLN 77.A N ASN 74.A O no hydrogen 3.134 N/A GLN 77.A NE2 THR 36.A O no hydrogen 2.973 N/A GLN 77.A NE2 HIS 38.A O no hydrogen 2.709 N/A GLN 78.A N ASN 74.A O no hydrogen 2.963 N/A GLN 78.A N SER 75.A O no hydrogen 2.647 N/A LEU 79.A N SER 75.A O no hydrogen 2.637 N/A ASP 82.A N MET 80.A O no hydrogen 2.991 N/A ILE 84.A N ASP 82.A OD1 no hydrogen 3.457 N/A ILE 87.A N PRO 83.A O no hydrogen 3.072 N/A GLN 88.A N ILE 84.A O no hydrogen 2.953 N/A GLN 88.A NE2 PRO 184.A O no hydrogen 2.801 N/A GLN 88.A NE2 GLU 267.A OE1 no hydrogen 2.874 N/A GLY 89.A N PRO 85.A O no hydrogen 3.016 N/A ILE 90.A N ILE 86.A O no hydrogen 3.175 N/A LEU 91.A N ILE 87.A O no hydrogen 3.054 N/A GLN 92.A N GLN 88.A O no hydrogen 2.972 N/A GLN 92.A NE2 ASP 96.A OD1 no hydrogen 2.963 N/A GLN 92.A NE2 ASP 96.A OD2 no hydrogen 3.217 N/A THR 93.A N GLY 89.A O no hydrogen 3.009 N/A THR 93.A OG1 GLY 89.A O no hydrogen 2.953 N/A GLY 94.A N ILE 90.A O no hydrogen 3.052 N/A HIS 95.A N LEU 91.A O no hydrogen 2.852 N/A HIS 95.A NE2 ARG 180.A O no hydrogen 3.085 N/A ASP 96.A N GLN 92.A O no hydrogen 2.761 N/A LEU 97.A N THR 93.A O no hydrogen 2.901 N/A LEU 100.A N LEU 97.A O no hydrogen 2.916 N/A ARG 101.A N ARG 98.A O no hydrogen 2.893 N/A ARG 101.A NE GLY 94.A O no hydrogen 2.970 N/A ARG 101.A NH2 HIS 95.A O no hydrogen 2.894 N/A LEU 104.A N LEU 100.A O no hydrogen 2.770 N/A TYR 105.A N ARG 101.A O no hydrogen 3.197 N/A TYR 105.A OH PHE 137.A O no hydrogen 2.645 N/A CYS 106.A N ASP 102.A O no hydrogen 2.950 N/A CYS 106.A SG ASP 102.A O no hydrogen 3.733 N/A GLN 107.A N GLU 103.A O no hydrogen 2.830 N/A GLN 107.A NE2 ALA 69.A O no hydrogen 3.112 N/A GLN 107.A NE2 GLU 103.A OE2 no hydrogen 2.919 N/A LEU 108.A N LEU 104.A O no hydrogen 3.025 N/A ILE 109.A N TYR 105.A O no hydrogen 2.928 N/A LYS 110.A N CYS 106.A O no hydrogen 2.982 N/A LYS 110.A NZ ILE 32.A O no hydrogen 2.749 N/A LYS 110.A NZ ARG 34.A O no hydrogen 2.814 N/A GLN 111.A N GLN 107.A O no hydrogen 2.960 N/A GLN 111.A NE2 THR 36.A O no hydrogen 3.395 N/A THR 112.A N LEU 108.A O no hydrogen 3.127 N/A THR 112.A N ILE 109.A O no hydrogen 3.208 N/A THR 112.A OG1 LEU 108.A O no hydrogen 2.722 N/A THR 112.A OG1 ILE 109.A O no hydrogen 3.116 N/A THR 112.A OG1 HIS 150.A NE2 no hydrogen 2.844 N/A ASN 113.A N LYS 110.A O no hydrogen 3.073 N/A ASN 113.A ND2 LEU 33.A O no hydrogen 3.049 N/A LYS 114.A NZ GLU 24.A OE1 no hydrogen 2.536 N/A LYS 114.A NZ GLU 24.A OE2 no hydrogen 3.434 N/A GLY 119.A N ASN 123.A OD1 no hydrogen 2.905 N/A SER 120.A N HIS 117.A O no hydrogen 3.036 N/A SER 120.A OG HIS 117.A O no hydrogen 2.870 N/A ASN 123.A N SER 120.A OG no hydrogen 3.294 N/A LEU 124.A N SER 120.A O no hydrogen 2.916 N/A TYR 125.A N VAL 121.A O no hydrogen 3.024 N/A SER 126.A N GLY 122.A O no hydrogen 3.414 N/A SER 126.A OG GLY 122.A O no hydrogen 3.570 N/A TRP 127.A N ASN 123.A O no hydrogen 3.253 N/A GLN 128.A N LEU 124.A O no hydrogen 2.820 N/A GLN 128.A NE2 TYR 166.A OH no hydrogen 3.160 N/A ILE 129.A N TYR 125.A O no hydrogen 2.938 N/A LEU 130.A N SER 126.A O no hydrogen 2.941 N/A THR 131.A N TRP 127.A O no hydrogen 2.891 N/A THR 131.A OG1 TRP 127.A O no hydrogen 2.776 N/A THR 131.A OG1 THR 170.A OG1 no hydrogen 3.280 N/A CYS 132.A N GLN 128.A O no hydrogen 3.000 N/A CYS 132.A SG GLN 128.A O no hydrogen 3.449 N/A LEU 133.A N ILE 129.A O no hydrogen 2.907 N/A SER 134.A N LEU 130.A O no hydrogen 3.039 N/A SER 134.A OG THR 131.A O no hydrogen 2.663 N/A CYS 135.A N CYS 132.A O no hydrogen 3.134 N/A CYS 135.A SG THR 131.A O no hydrogen 3.844 N/A CYS 135.A SG SER 173.A OG no hydrogen 3.341 N/A CYS 135.A SG SER 216.A OG no hydrogen 3.616 N/A THR 136.A N LEU 133.A O no hydrogen 2.912 N/A THR 136.A OG1 CYS 132.A O no hydrogen 2.756 N/A PHE 137.A N LEU 133.A O no hydrogen 3.062 N/A SER 140.A N ASP 102.A OD1 no hydrogen 2.741 N/A SER 140.A OG ASP 102.A OD1 no hydrogen 3.508 N/A SER 140.A OG ASP 102.A OD2 no hydrogen 2.639 N/A LEU 144.A N SER 140.A O no hydrogen 2.889 N/A LYS 145.A N ARG 141.A O no hydrogen 3.087 N/A TYR 146.A N GLY 142.A O no hydrogen 3.345 N/A TYR 146.A OH TYR 27.A OH no hydrogen 2.765 N/A LEU 147.A N ILE 143.A O no hydrogen 2.844 N/A LYS 148.A N LEU 144.A O no hydrogen 2.988 N/A PHE 149.A N LYS 145.A O no hydrogen 3.106 N/A HIS 150.A N TYR 146.A O no hydrogen 2.974 N/A HIS 150.A NE2 THR 112.A OG1 no hydrogen 2.844 N/A LEU 151.A N LEU 147.A O no hydrogen 2.836 N/A LYS 152.A N LYS 148.A O no hydrogen 3.052 N/A ARG 153.A N PHE 149.A O no hydrogen 3.121 N/A ARG 153.A NH2 SER 20.A OG no hydrogen 3.378 N/A ARG 153.A NH2 GLU 24.A OE2 no hydrogen 2.597 N/A ILE 154.A N HIS 150.A O no hydrogen 2.929 N/A ARG 155.A N LEU 151.A O no hydrogen 3.119 N/A ARG 155.A NE GLU 164.A OE2 no hydrogen 2.684 N/A ARG 155.A NH2 GLU 164.A OE2 no hydrogen 2.728 N/A GLU 156.A N LYS 152.A O no hydrogen 3.091 N/A GLN 157.A N ARG 153.A O no hydrogen 2.931 N/A PHE 158.A N ILE 154.A O no hydrogen 2.777 N/A THR 161.A OG1 PHE 158.A O no hydrogen 2.556 N/A GLU 164.A N THR 161.A OG1 no hydrogen 3.160 N/A LYS 165.A N THR 161.A O no hydrogen 3.238 N/A LYS 165.A NZ THR 161.A O no hydrogen 3.456 N/A TYR 166.A N GLU 162.A O no hydrogen 2.920 N/A TYR 166.A OH ILE 193.A O no hydrogen 2.556 N/A ALA 167.A N MET 163.A O no hydrogen 2.845 N/A LEU 168.A N GLU 164.A O no hydrogen 3.006 N/A PHE 169.A N LYS 165.A O no hydrogen 2.990 N/A THR 170.A N TYR 166.A O no hydrogen 2.784 N/A THR 170.A OG1 TYR 166.A O no hydrogen 2.878 N/A TYR 171.A N ALA 167.A O no hydrogen 2.857 N/A GLU 172.A N LEU 168.A O no hydrogen 2.867 N/A SER 173.A N PHE 169.A O no hydrogen 2.959 N/A SER 173.A OG PHE 169.A O no hydrogen 2.826 N/A LEU 174.A N THR 170.A O no hydrogen 2.993 N/A LYS 175.A N GLU 172.A O no hydrogen 3.196 N/A LYS 176.A N SER 173.A O no hydrogen 3.068 N/A THR 177.A N SER 173.A O no hydrogen 2.954 N/A THR 177.A OG1 SER 134.A O no hydrogen 2.520 N/A THR 177.A OG1 SER 173.A O no hydrogen 3.067 N/A THR 177.A OG1 HIS 217.A NE2 no hydrogen 2.793 N/A ARG 180.A NE PHE 182.A O no hydrogen 3.314 N/A ARG 180.A NE ASP 261.A OD1 no hydrogen 2.903 N/A ARG 180.A NH1 GLU 188.A OE2 no hydrogen 3.016 N/A ARG 180.A NH2 PHE 182.A O no hydrogen 3.542 N/A ARG 180.A NH2 GLU 188.A OE1 no hydrogen 2.732 N/A GLU 181.A N ASP 261.A OD2 no hydrogen 2.808 N/A PHE 182.A N ASP 261.A OD1 no hydrogen 2.907 N/A ARG 186.A N GLU 267.A OE2 no hydrogen 2.910 N/A ARG 186.A NE GLN 88.A OE1 no hydrogen 3.120 N/A GLU 188.A N SER 185.A OG no hydrogen 3.248 N/A ILE 189.A N SER 185.A O no hydrogen 2.887 N/A GLU 190.A N ARG 186.A O no hydrogen 2.919 N/A ALA 191.A N ASP 187.A O no hydrogen 3.146 N/A LEU 192.A N GLU 188.A O no hydrogen 2.859 N/A ILE 193.A N ILE 189.A O no hydrogen 2.943 N/A HIS 194.A N ALA 191.A O no hydrogen 2.967 N/A ARG 195.A N LEU 192.A O no hydrogen 2.847 N/A ARG 195.A NH1 GLU 162.A OE1 no hydrogen 2.914 N/A ARG 195.A NH2 GLU 162.A OE1 no hydrogen 3.366 N/A ARG 195.A NH2 GLU 162.A OE2 no hydrogen 3.241 N/A GLN 196.A N ALA 191.A O no hydrogen 2.834 N/A MET 198.A N ILE 214.A O no hydrogen 2.733 N/A SER 200.A N ILE 212.A O no hydrogen 2.901 N/A VAL 202.A N CYS 210.A O no hydrogen 2.963 N/A TYR 203.A N PHE 282.A O no hydrogen 2.834 N/A CYS 204.A N GLY 208.A O no hydrogen 2.934 N/A HIS 205.A N PHE 284.A O no hydrogen 3.079 N/A GLY 207.A N CYS 204.A O no hydrogen 3.017 N/A CYS 210.A N VAL 202.A O no hydrogen 2.814 N/A CYS 210.A SG LYS 211.A O no hydrogen 3.760 N/A ILE 212.A N SER 200.A O no hydrogen 2.864 N/A ILE 214.A N MET 198.A O no hydrogen 2.782 N/A ASN 215.A N THR 218.A OG1 no hydrogen 3.109 N/A SER 216.A OG GLU 188.A OE2 no hydrogen 2.643 N/A HIS 217.A N ASN 215.A OD1 no hydrogen 2.810 N/A HIS 217.A NE2 THR 177.A OG1 no hydrogen 2.793 N/A THR 218.A OG1 ASN 215.A OD1 no hydrogen 3.096 N/A ALA 220.A N THR 257.A O no hydrogen 2.887 N/A GLY 221.A N SER 255.A O no hydrogen 2.869 N/A GLU 222.A N THR 219.A O no hydrogen 3.191 N/A GLU 222.A N THR 219.A OG1 no hydrogen 3.313 N/A VAL 223.A N THR 219.A O no hydrogen 3.368 N/A VAL 224.A N ALA 220.A O no hydrogen 2.863 N/A GLU 225.A N GLY 221.A O no hydrogen 2.889 N/A LYS 226.A N GLU 222.A O no hydrogen 3.043 N/A LYS 226.A NZ GLU 225.A OE1 no hydrogen 2.750 N/A LEU 227.A N VAL 223.A O no hydrogen 2.924 N/A ILE 228.A N VAL 224.A O no hydrogen 2.935 N/A ARG 229.A N GLU 225.A O no hydrogen 3.331 N/A GLY 230.A N LYS 226.A O no hydrogen 2.773 N/A LEU 231.A N LEU 227.A O no hydrogen 2.949 N/A ALA 232.A N ARG 229.A O no hydrogen 2.986 N/A MET 233.A N ILE 228.A O no hydrogen 2.862 N/A GLU 234.A N GLU 234.A OE1 no hydrogen 2.816 N/A SER 236.A N MET 233.A O no hydrogen 2.951 N/A SER 236.A OG GLU 301.A OE2 no hydrogen 2.570 N/A ASN 238.A N SER 236.A OG no hydrogen 3.091 N/A ASN 238.A ND2 ASP 291.A O no hydrogen 3.063 N/A ASN 238.A ND2 GLU 301.A OE2 no hydrogen 2.636 N/A MET 239.A N CYS 288.A O no hydrogen 3.126 N/A ALA 241.A N LYS 285.A O no hydrogen 3.092 N/A PHE 243.A N TYR 283.A O no hydrogen 2.740 N/A GLU 244.A N LYS 251.A O no hydrogen 2.770 N/A TYR 245.A N LYS 281.A O no hydrogen 2.966 N/A ASN 246.A N VAL 249.A O no hydrogen 3.318 N/A HIS 248.A N ASN 246.A OD1 no hydrogen 2.987 N/A HIS 248.A NE2 GLY 276.A O no hydrogen 2.990 N/A VAL 249.A N ASN 246.A OD1 no hydrogen 2.555 N/A LYS 251.A N GLU 244.A O no hydrogen 2.996 N/A ILE 253.A N LEU 242.A O no hydrogen 2.878 N/A THR 257.A N GLU 254.A O no hydrogen 2.918 N/A THR 257.A OG1 GLU 254.A O no hydrogen 3.130 N/A VAL 259.A N THR 218.A O no hydrogen 2.953 N/A ASP 261.A N VAL 258.A O no hydrogen 2.904 N/A VAL 262.A N VAL 258.A O no hydrogen 3.358 N/A VAL 262.A N VAL 259.A O no hydrogen 3.024 N/A LEU 263.A N VAL 259.A O no hydrogen 3.055 N/A ALA 264.A N ALA 260.A O no hydrogen 2.939 N/A LYS 265.A N ASP 261.A O no hydrogen 3.086 N/A LYS 265.A NZ GLU 244.A OE1 no hydrogen 3.093 N/A LYS 265.A NZ GLU 244.A OE2 no hydrogen 3.076 N/A PHE 266.A N VAL 262.A O no hydrogen 2.910 N/A GLU 267.A N LEU 263.A O no hydrogen 3.156 N/A LYS 268.A N ALA 264.A O no hydrogen 3.072 N/A LEU 269.A N LYS 265.A O no hydrogen 2.902 N/A ALA 270.A N PHE 266.A O no hydrogen 3.035 N/A GLU 274.A N ASP 277.A OD2 no hydrogen 2.775 N/A ASP 277.A N GLU 274.A O no hydrogen 3.191 N/A LEU 278.A N ASN 246.A O no hydrogen 3.160 N/A LYS 281.A N TYR 245.A O no hydrogen 2.841 N/A TYR 283.A N PHE 243.A O no hydrogen 2.965 N/A PHE 284.A N TYR 203.A O no hydrogen 2.669 N/A LYS 285.A N ALA 241.A O no hydrogen 3.223 N/A LYS 285.A NZ ASP 250.A OD1 no hydrogen 3.565 N/A LYS 285.A NZ ASP 250.A OD2 no hydrogen 2.968 N/A TYR 287.A N MET 239.A O no hydrogen 2.721 N/A CYS 288.A N MET 239.A O no hydrogen 3.007 N/A PHE 289.A N TYR 514.A OH no hydrogen 2.766 N/A LEU 290.A N ASN 238.A OD1 no hydrogen 2.831 N/A ASP 291.A N ASN 238.A OD1 no hydrogen 2.755 N/A SER 299.A N PRO 296.A O no hydrogen 3.097 N/A SER 299.A OG PRO 296.A O no hydrogen 2.491 N/A PHE 302.A N SER 299.A OG no hydrogen 3.186 N/A ALA 303.A N SER 299.A O no hydrogen 3.317 N/A PHE 304.A N VAL 300.A O no hydrogen 3.217 N/A MET 305.A N GLU 301.A O no hydrogen 3.088 N/A PHE 306.A N PHE 302.A O no hydrogen 2.900 N/A GLU 307.A N ALA 303.A O no hydrogen 2.870 N/A GLN 308.A N PHE 304.A O no hydrogen 3.045 N/A ALA 309.A N MET 305.A O no hydrogen 2.897 N/A HIS 310.A N PHE 306.A O no hydrogen 3.000 N/A HIS 310.A ND1 TYR 421.A OH no hydrogen 3.265 N/A HIS 310.A NE2 GLU 351.A O no hydrogen 2.878 N/A GLU 311.A N GLU 307.A O no hydrogen 2.898 N/A ALA 312.A N GLN 308.A O no hydrogen 3.084 N/A VAL 313.A N ALA 309.A O no hydrogen 2.903 N/A ILE 314.A N HIS 310.A O no hydrogen 2.911 N/A HIS 315.A N ALA 312.A O no hydrogen 3.133 N/A GLY 316.A N VAL 313.A O no hydrogen 2.972 N/A HIS 317.A N ALA 312.A O no hydrogen 2.759 N/A HIS 317.A NE2 ASP 437.A OD1 no hydrogen 2.821 N/A LEU 325.A N PRO 321.A O no hydrogen 3.127 N/A GLN 326.A N GLU 322.A O no hydrogen 3.044 N/A GLN 326.A NE2 GLU 322.A OE2 no hydrogen 2.771 N/A VAL 327.A N GLU 323.A O no hydrogen 2.933 N/A LEU 328.A N ASN 324.A O no hydrogen 2.962 N/A ALA 329.A N LEU 325.A O no hydrogen 3.112 N/A ALA 330.A N GLN 326.A O no hydrogen 3.005 N/A LEU 331.A N VAL 327.A O no hydrogen 2.921 N/A ARG 332.A N LEU 328.A O no hydrogen 2.913 N/A ARG 332.A NH1 GLU 307.A OE1 no hydrogen 3.503 N/A ARG 332.A NH1 GLU 307.A OE2 no hydrogen 2.970 N/A ARG 332.A NH2 GLU 307.A OE1 no hydrogen 3.066 N/A LEU 333.A N ALA 329.A O no hydrogen 3.085 N/A GLN 334.A N ALA 330.A O no hydrogen 2.991 N/A GLN 334.A NE2 ASP 339.A OD1 no hydrogen 2.895 N/A GLN 334.A NE2 MET 412.A O no hydrogen 2.981 N/A TYR 335.A N LEU 331.A O no hydrogen 2.937 N/A LEU 336.A N ARG 332.A O no hydrogen 2.875 N/A GLN 337.A N LEU 333.A O no hydrogen 2.934 N/A GLN 337.A NE2 ALA 345.A O no hydrogen 2.940 N/A GLY 338.A N GLN 334.A O no hydrogen 2.934 N/A ALA 344.A N THR 341.A O no hydrogen 2.980 N/A GLU 350.A N GLU 350.A OE1 no hydrogen 2.709 N/A GLU 351.A N PRO 348.A O no hydrogen 2.980 N/A VAL 352.A N LEU 349.A O no hydrogen 3.000 N/A TYR 353.A N LEU 349.A O no hydrogen 2.814 N/A TYR 353.A OH GLU 322.A OE1 no hydrogen 3.213 N/A TYR 353.A OH GLU 322.A OE2 no hydrogen 2.438 N/A LYS 359.A N LEU 355.A O no hydrogen 3.001 N/A ALA 360.A N GLN 356.A O no hydrogen 2.842 N/A ARG 361.A N ARG 357.A O no hydrogen 2.981 N/A ARG 361.A NH1 GLU 394.A OE2 no hydrogen 3.038 N/A ARG 361.A NH2 GLU 394.A OE2 no hydrogen 3.327 N/A ILE 362.A N LEU 358.A O no hydrogen 3.123 N/A SER 363.A N LYS 359.A O no hydrogen 3.067 N/A SER 363.A N ALA 360.A O no hydrogen 3.101 N/A GLN 364.A N ARG 361.A O no hydrogen 2.981 N/A GLN 364.A NE2 ARG 361.A O no hydrogen 3.646 N/A THR 366.A N SER 363.A O no hydrogen 3.431 N/A THR 366.A OG1 THR 368.A OG1 no hydrogen 3.359 N/A LYS 367.A N GLN 364.A O no hydrogen 3.031 N/A THR 368.A OG1 THR 366.A OG1 no hydrogen 3.359 N/A SER 370.A N ARG 378.A O no hydrogen 2.795 N/A SER 375.A N ARG 372.A O no hydrogen 2.865 N/A SER 375.A OG GLU 500.A OE1 no hydrogen 2.607 N/A SER 375.A OG GLU 500.A OE2 no hydrogen 3.089 N/A ARG 378.A N SER 370.A O no hydrogen 2.864 N/A ARG 378.A NH1 SER 375.A OG no hydrogen 3.216 N/A ARG 378.A NH1 GLU 500.A OE2 no hydrogen 2.815 N/A ARG 378.A NH2 GLU 500.A OE2 no hydrogen 2.541 N/A LYS 380.A N THR 368.A O no hydrogen 2.762 N/A GLU 383.A N GLU 382.A OE1 no hydrogen 3.161 N/A LEU 387.A N GLU 383.A O no hydrogen 2.728 N/A ASP 388.A N GLU 384.A O no hydrogen 3.040 N/A ASP 388.A N GLN 385.A O no hydrogen 3.228 N/A MET 389.A N GLN 385.A O no hydrogen 3.264 N/A VAL 395.A N ILE 391.A O no hydrogen 2.745 N/A SER 396.A N LYS 392.A O no hydrogen 2.915 N/A SER 396.A OG LYS 392.A O no hydrogen 3.375 N/A SER 397.A N GLU 393.A O no hydrogen 2.945 N/A ALA 398.A N GLU 394.A O no hydrogen 3.014 N/A ARG 399.A N VAL 395.A O no hydrogen 2.996 N/A ALA 400.A N SER 396.A O no hydrogen 3.066 N/A SER 401.A N SER 397.A O no hydrogen 3.060 N/A SER 401.A OG GLN 326.A OE1 no hydrogen 2.579 N/A ILE 402.A N ALA 398.A O no hydrogen 2.876 N/A ILE 403.A N ARG 399.A O no hydrogen 2.956 N/A ASP 404.A N ALA 400.A O no hydrogen 3.186 N/A LYS 405.A N SER 401.A O no hydrogen 3.268 N/A LYS 405.A NZ GLU 323.A OE1 no hydrogen 3.104 N/A LYS 405.A NZ GLN 326.A OE1 no hydrogen 2.988 N/A TRP 406.A N ILE 402.A O no hydrogen 2.957 N/A TRP 406.A NE1 GLY 338.A O no hydrogen 2.895 N/A ARG 407.A N ILE 403.A O no hydrogen 2.986 N/A LYS 408.A N LYS 405.A O no hydrogen 3.136 N/A LYS 408.A NZ ASP 404.A O no hydrogen 3.135 N/A LYS 408.A NZ ASP 404.A OD2 no hydrogen 2.788 N/A PHE 409.A N TRP 406.A O no hydrogen 2.885 N/A GLN 410.A N ARG 407.A O no hydrogen 3.368 N/A GLY 411.A N ASP 339.A OD1 no hydrogen 2.656 N/A MET 412.A N PHE 409.A O no hydrogen 2.964 N/A GLN 414.A NE2 TYR 335.A O no hydrogen 2.797 N/A GLN 416.A N ASN 413.A OD1 no hydrogen 2.808 N/A ALA 417.A N ASN 413.A O no hydrogen 3.044 N/A MET 418.A N GLN 414.A O no hydrogen 2.924 N/A ALA 419.A N GLU 415.A O no hydrogen 3.016 N/A LYS 420.A N GLN 416.A O no hydrogen 3.050 N/A TYR 421.A N ALA 417.A O no hydrogen 2.940 N/A TYR 421.A OH HIS 310.A ND1 no hydrogen 3.265 N/A MET 422.A N MET 418.A O no hydrogen 3.070 N/A ALA 423.A N ALA 419.A O no hydrogen 2.941 N/A LEU 424.A N LYS 420.A O no hydrogen 2.990 N/A ILE 425.A N TYR 421.A O no hydrogen 2.918 N/A LYS 426.A N MET 422.A O no hydrogen 2.946 N/A GLU 427.A N LEU 424.A O no hydrogen 3.080 N/A TRP 428.A N ILE 425.A O no hydrogen 3.184 N/A TRP 428.A NE1 GLY 466.A O no hydrogen 2.891 N/A TYR 431.A N TRP 428.A O no hydrogen 2.901 N/A SER 433.A N GLY 430.A O no hydrogen 3.052 N/A SER 433.A OG GLY 430.A O no hydrogen 2.626 N/A THR 434.A N VAL 453.A O no hydrogen 2.996 N/A PHE 436.A N LEU 451.A O no hydrogen 2.877 N/A VAL 438.A N LEU 449.A O no hydrogen 3.108 N/A GLU 439.A N GLU 500.A O no hydrogen 3.044 N/A CYS 440.A N GLN 447.A O no hydrogen 2.856 N/A CYS 440.A SG GLU 442.A O no hydrogen 3.190 N/A CYS 440.A SG PHE 445.A O no hydrogen 4.001 N/A CYS 440.A SG LEU 498.A O no hydrogen 4.007 N/A LYS 441.A N LEU 498.A O no hydrogen 2.919 N/A LYS 441.A NZ GLY 374.A O no hydrogen 3.188 N/A GLU 442.A N LEU 498.A O no hydrogen 3.432 N/A GLN 447.A NE2 VAL 377.A O no hydrogen 2.897 N/A GLN 447.A NE2 GLU 439.A OE1 no hydrogen 2.795 N/A LEU 449.A N VAL 438.A O no hydrogen 3.118 N/A TRP 450.A N TYR 461.A O no hydrogen 2.899 N/A LEU 451.A N PHE 436.A O no hydrogen 2.724 N/A GLY 452.A N SER 459.A O no hydrogen 2.812 N/A VAL 453.A N THR 434.A O no hydrogen 2.888 N/A SER 454.A N ALA 457.A O no hydrogen 2.899 N/A SER 454.A OG ALA 457.A O no hydrogen 3.093 N/A ALA 457.A N SER 454.A OG no hydrogen 3.165 N/A VAL 458.A N PHE 472.A O no hydrogen 2.946 N/A SER 459.A N GLY 452.A O no hydrogen 2.769 N/A VAL 460.A N GLU 470.A O no hydrogen 2.906 N/A TYR 461.A N TRP 450.A O no hydrogen 2.982 N/A ARG 463.A N GLU 448.A O no hydrogen 3.125 N/A ARG 463.A NE LEU 449.A O no hydrogen 3.186 N/A ARG 463.A NH2 VAL 438.A O no hydrogen 2.941 N/A ARG 463.A NH2 GLU 439.A OE2 no hydrogen 2.604 N/A ARG 463.A NH2 LEU 449.A O no hydrogen 3.245 N/A GLU 465.A N LYS 462.A O no hydrogen 2.795 N/A LEU 469.A N VAL 460.A O no hydrogen 2.554 N/A GLU 470.A N VAL 460.A O no hydrogen 3.462 N/A PHE 472.A N VAL 458.A O no hydrogen 2.818 N/A TYR 474.A N ASP 456.A O no hydrogen 3.400 N/A TYR 474.A OH SER 454.A O no hydrogen 2.633 N/A GLU 475.A N GLU 475.A OE1 no hydrogen 2.649 N/A HIS 476.A N GLN 473.A O no hydrogen 2.852 N/A ILE 477.A N TYR 474.A O no hydrogen 3.154 N/A LEU 478.A N VAL 491.A O no hydrogen 2.745 N/A GLY 481.A N LYS 489.A O no hydrogen 3.001 N/A THR 487.A N LEU 484.A O no hydrogen 3.232 N/A TYR 488.A N PHE 499.A O no hydrogen 2.723 N/A LYS 489.A N GLY 481.A O no hydrogen 2.772 N/A ILE 490.A N LEU 497.A O no hydrogen 2.883 N/A VAL 491.A N SER 479.A O no hydrogen 3.099 N/A VAL 492.A N ARG 495.A O no hydrogen 2.984 N/A GLU 494.A N ASP 493.A OD2 no hydrogen 2.578 N/A ARG 495.A N VAL 492.A O no hydrogen 2.652 N/A ARG 495.A NE ASP 493.A OD2 no hydrogen 3.432 N/A ARG 495.A NH1 GLU 470.A OE1 no hydrogen 3.060 N/A ARG 495.A NH2 GLU 470.A OE1 no hydrogen 3.544 N/A ARG 495.A NH2 GLU 470.A OE2 no hydrogen 2.579 N/A LEU 497.A N ILE 490.A O no hydrogen 2.812 N/A LEU 498.A N GLU 442.A O no hydrogen 2.956 N/A PHE 499.A N TYR 488.A O no hydrogen 2.792 N/A GLU 500.A N GLU 439.A O no hydrogen 2.719 N/A THR 501.A N ASN 486.A O no hydrogen 2.872 N/A GLU 503.A N THR 501.A OG1 no hydrogen 2.912 N/A VAL 507.A N GLU 503.A O no hydrogen 2.950 N/A ALA 508.A N VAL 504.A O no hydrogen 3.010 N/A LYS 509.A N VAL 505.A O no hydrogen 2.929 N/A LYS 509.A NZ ALA 252.A O no hydrogen 2.866 N/A LEU 510.A N ASP 506.A O no hydrogen 3.186 N/A MET 511.A N VAL 507.A O no hydrogen 3.097 N/A LYS 512.A N ALA 508.A O no hydrogen 2.939 N/A LYS 512.A NZ GLU 254.A OE1 no hydrogen 2.820 N/A LYS 512.A NZ GLU 254.A OE2 no hydrogen 3.368 N/A ALA 513.A N LYS 509.A O no hydrogen 3.044 N/A TYR 514.A N LEU 510.A O no hydrogen 2.975 N/A ILE 515.A N MET 511.A O no hydrogen 2.936 N/A SER 516.A N LYS 512.A O no hydrogen 2.919 N/A SER 516.A OG LYS 512.A O no hydrogen 3.480 N/A SER 516.A OG ALA 513.A O no hydrogen 2.565 N/A MET 517.A N ALA 513.A O no hydrogen 3.253 N/A MET 517.A N TYR 514.A O no hydrogen 3.065 N/A ILE 518.A N TYR 514.A O no hydrogen 3.231 N/A ILE 518.A N ILE 515.A O no hydrogen 3.000 N/A VAL 519.A N ILE 515.A O no hydrogen 3.054 N/A LYS 520.A N SER 516.A O no hydrogen 2.987 N/A LYS 521.A N MET 517.A O no hydrogen 2.979 N/A ARG 522.A N ILE 518.A O no hydrogen 2.889 N/A TYR 523.A N VAL 519.A O no hydrogen 3.293 N/A TYR 523.A N LYS 520.A O no hydrogen 3.247 N/A