Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2h3u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N HIS 2.A ND1 no hydrogen 3.299 N/A HIS 5.A N HIS 2.A O no hydrogen 3.064 N/A HIS 5.A NE2 LEU 142.A O no hydrogen 2.695 N/A GLN 6.A N HIS 2.A O no hydrogen 3.155 N/A ASP 7.A N MET 3.A O no hydrogen 3.095 N/A ALA 8.A N HIS 5.A O no hydrogen 3.131 N/A ARG 11.A NH1 GLN 6.A O no hydrogen 3.315 N/A ARG 11.A NH1 ASP 7.A O no hydrogen 3.374 N/A ARG 11.A NH1 LEU 9.A O no hydrogen 2.643 N/A GLN 19.A NE2 GLU 488.A O no hydrogen 3.647 N/A SER 20.A N PRO 16.A O no hydrogen 3.113 N/A SER 20.A OG PRO 16.A O no hydrogen 3.480 N/A SER 20.A OG HIS 493.A ND1 no hydrogen 2.696 N/A LEU 21.A N LEU 17.A O no hydrogen 3.124 N/A ASP 22.A N GLN 18.A O no hydrogen 2.934 N/A TYR 23.A N GLN 19.A O no hydrogen 3.105 N/A TYR 24.A N SER 20.A O no hydrogen 2.892 N/A LEU 25.A N LEU 21.A O no hydrogen 3.205 N/A LYS 26.A N ASP 22.A O no hydrogen 3.233 N/A LYS 26.A NZ ASP 22.A OD1 no hydrogen 2.905 N/A LYS 26.A NZ ASP 22.A OD2 no hydrogen 3.272 N/A ALA 27.A N TYR 23.A O no hydrogen 2.953 N/A LEU 28.A N TYR 24.A O no hydrogen 3.069 N/A LEU 28.A N LEU 25.A O no hydrogen 3.264 N/A GLN 29.A N LEU 25.A O no hydrogen 3.202 N/A ILE 31.A N LEU 28.A O no hydrogen 2.820 N/A SER 33.A N GLU 36.A OE1 no hydrogen 2.713 N/A TRP 37.A N SER 33.A O no hydrogen 3.018 N/A TRP 37.A NE1 LEU 25.A O no hydrogen 2.850 N/A ALA 38.A N GLU 34.A O no hydrogen 2.985 N/A HIS 39.A N GLU 35.A O no hydrogen 3.216 N/A THR 40.A N GLU 36.A O no hydrogen 2.865 N/A THR 40.A OG1 GLU 36.A O no hydrogen 3.036 N/A THR 40.A OG1 ASP 514.A OD1 no hydrogen 2.449 N/A THR 40.A OG1 SER 516.A OG no hydrogen 2.650 N/A LYS 41.A N TRP 37.A O no hydrogen 2.701 N/A LYS 41.A NZ ASP 45.A OD1 no hydrogen 3.212 N/A LYS 41.A NZ ASP 45.A OD2 no hydrogen 3.390 N/A GLN 42.A N ALA 38.A O no hydrogen 3.163 N/A LEU 43.A N HIS 39.A O no hydrogen 3.196 N/A VAL 44.A N THR 40.A O no hydrogen 3.024 N/A ASP 45.A N LYS 41.A O no hydrogen 3.285 N/A GLU 46.A N GLN 42.A O no hydrogen 3.240 N/A PHE 47.A N LEU 43.A O no hydrogen 2.814 N/A GLN 48.A N VAL 44.A O no hydrogen 3.048 N/A GLN 48.A N ASP 45.A O no hydrogen 3.333 N/A THR 49.A N GLU 46.A O no hydrogen 3.078 N/A GLY 51.A N GLU 55.A OE1 no hydrogen 2.608 N/A GLY 52.A N THR 49.A O no hydrogen 2.937 N/A ARG 56.A N GLY 52.A O no hydrogen 3.413 N/A ARG 56.A NH1 GLY 51.A O no hydrogen 2.969 N/A LEU 57.A N VAL 53.A O no hydrogen 3.061 N/A GLN 58.A N GLY 54.A O no hydrogen 2.827 N/A GLN 58.A NE2 HIS 493.A NE2 no hydrogen 2.983 N/A LYS 59.A N GLU 55.A O no hydrogen 3.103 N/A LYS 59.A NZ GLU 62.A OE1 no hydrogen 2.699 N/A GLY 60.A N ARG 56.A O no hydrogen 3.130 N/A LEU 61.A N LEU 57.A O no hydrogen 3.082 N/A GLU 62.A N GLN 58.A O no hydrogen 3.086 N/A ARG 63.A N LYS 59.A O no hydrogen 2.921 N/A ARG 64.A N GLY 60.A O no hydrogen 2.835 N/A ARG 64.A NE TRP 71.A O no hydrogen 2.822 N/A ARG 64.A NH1 GLU 503.A OE1 no hydrogen 3.372 N/A ALA 65.A N LEU 61.A O no hydrogen 2.948 N/A LYS 66.A N ARG 63.A O no hydrogen 3.031 N/A LYS 67.A N ARG 63.A O no hydrogen 3.074 N/A LYS 67.A N ARG 64.A O no hydrogen 3.092 N/A ASN 70.A ND2 HIS 435.A O no hydrogen 2.968 N/A TRP 71.A NE1 PRO 13.A O no hydrogen 3.024 N/A LEU 72.A N ASN 70.A OD1 no hydrogen 2.784 N/A SER 73.A N ASN 70.A OD1 no hydrogen 2.885 N/A TRP 76.A N LEU 72.A O no hydrogen 2.879 N/A LEU 77.A N SER 73.A O no hydrogen 3.035 N/A LYS 78.A N GLU 74.A O no hydrogen 3.103 N/A LYS 78.A NZ GLU 74.A OE1 no hydrogen 2.830 N/A THR 79.A N TRP 75.A O no hydrogen 3.047 N/A THR 79.A OG1 TRP 75.A O no hydrogen 3.010 N/A ALA 80.A N TRP 76.A O no hydrogen 2.897 N/A TYR 81.A N LEU 77.A O no hydrogen 3.122 N/A LEU 82.A N LEU 77.A O no hydrogen 3.036 N/A GLN 83.A N LYS 78.A O no hydrogen 2.592 N/A PHE 84.A N TYR 81.A O no hydrogen 2.994 N/A ARG 85.A NH1 GLY 158.A O no hydrogen 3.362 N/A ARG 85.A NH1 ASP 162.A OD1 no hydrogen 2.993 N/A ARG 85.A NH2 GLY 158.A O no hydrogen 2.678 N/A TYR 91.A N VAL 89.A O no hydrogen 2.626 N/A SER 92.A N VAL 88.A O no hydrogen 2.935 N/A SER 93.A N VAL 88.A O no hydrogen 2.757 N/A GLY 95.A N PHE 539.A O no hydrogen 2.901 N/A VAL 96.A N MET 313.A O no hydrogen 2.646 N/A ILE 97.A N VAL 537.A O no hydrogen 2.995 N/A LEU 98.A N CYS 311.A O no hydrogen 2.865 N/A LYS 100.A NZ TYR 274.A OH no hydrogen 3.037 N/A GLN 101.A N GLY 309.A O no hydrogen 2.865 N/A GLN 101.A NE2 PRO 99.A O no hydrogen 2.669 N/A GLY 108.A N ASP 105.A OD1 no hydrogen 2.771 N/A GLN 109.A N ASP 105.A O no hydrogen 3.019 N/A LEU 110.A N LEU 106.A O no hydrogen 3.042 N/A ARG 111.A N GLN 107.A O no hydrogen 2.906 N/A PHE 112.A N GLY 108.A O no hydrogen 2.830 N/A ALA 113.A N GLN 109.A O no hydrogen 2.983 N/A ALA 114.A N LEU 110.A O no hydrogen 2.807 N/A LYS 115.A N ARG 111.A O no hydrogen 3.157 N/A LYS 115.A NZ GLU 118.A OE1 no hydrogen 3.562 N/A LEU 116.A N PHE 112.A O no hydrogen 2.820 N/A ILE 117.A N ALA 113.A O no hydrogen 2.878 N/A GLU 118.A N ALA 114.A O no hydrogen 3.003 N/A GLY 119.A N LYS 115.A O no hydrogen 2.830 N/A VAL 120.A N LEU 116.A O no hydrogen 2.936 N/A LEU 121.A N ILE 117.A O no hydrogen 2.954 N/A ASP 122.A N GLU 118.A O no hydrogen 2.925 N/A ASP 122.A N GLY 119.A O no hydrogen 3.175 N/A PHE 123.A N GLY 119.A O no hydrogen 3.092 N/A LYS 124.A N VAL 120.A O no hydrogen 2.864 N/A LYS 124.A NZ ASP 128.A OD2 no hydrogen 2.701 N/A LYS 124.A NZ TYR 191.A OH no hydrogen 2.882 N/A SER 125.A N LEU 121.A O no hydrogen 3.194 N/A SER 125.A N ASP 122.A O no hydrogen 3.132 N/A SER 125.A OG LEU 121.A O no hydrogen 2.941 N/A SER 125.A OG ASP 122.A O no hydrogen 3.026 N/A MET 126.A N PHE 123.A O no hydrogen 3.120 N/A ASP 128.A N LYS 124.A O no hydrogen 2.855 N/A ASN 129.A N SER 125.A O no hydrogen 2.951 N/A GLU 130.A N ILE 127.A O no hydrogen 3.033 N/A THR 131.A N MET 126.A O no hydrogen 2.762 N/A THR 131.A OG1 MET 126.A O no hydrogen 3.456 N/A LEU 142.A N GLU 135.A O no hydrogen 3.013 N/A CYS 143.A N ARG 432.A O no hydrogen 2.465 N/A CYS 143.A SG GLN 6.A OE1 no hydrogen 3.190 N/A GLN 146.A NE2 GLY 437.A O no hydrogen 3.480 N/A TYR 147.A N MET 144.A O no hydrogen 3.095 N/A TYR 147.A OH GLU 135.A OE2 no hydrogen 2.656 N/A TYR 148.A N ASN 145.A O no hydrogen 2.931 N/A TYR 148.A OH ILE 127.A O no hydrogen 2.781 N/A GLN 149.A N GLN 146.A O no hydrogen 3.127 N/A GLN 149.A NE2 ASN 145.A O no hydrogen 3.454 N/A GLN 149.A NE2 ASN 145.A OD1 no hydrogen 3.215 N/A SER 152.A N ILE 257.A O no hydrogen 2.832 N/A SER 153.A OG GLN 149.A O no hydrogen 2.682 N/A SER 153.A OG THR 300.A OG1 no hydrogen 2.493 N/A CYS 154.A N VAL 165.A O no hydrogen 3.036 N/A CYS 154.A SG ARG 155.A O no hydrogen 3.376 N/A ARG 155.A N ASP 298.A O no hydrogen 2.855 N/A ARG 155.A NE ASP 162.A OD2 no hydrogen 2.755 N/A ARG 155.A NH1 GLU 316.A OE2 no hydrogen 2.795 N/A ARG 155.A NH2 TYR 81.A O no hydrogen 2.879 N/A ARG 155.A NH2 ASP 162.A OD2 no hydrogen 3.201 N/A VAL 156.A N SER 163.A O no hydrogen 2.792 N/A GLY 158.A N ASP 162.A OD1 no hydrogen 3.032 N/A ASP 162.A N LEU 82.A O no hydrogen 2.961 N/A SER 163.A N VAL 156.A O no hydrogen 2.942 N/A VAL 165.A N CYS 154.A O no hydrogen 2.897 N/A PHE 167.A N SER 152.A O no hydrogen 2.936 N/A SER 170.A N PHE 167.A O no hydrogen 3.105 N/A SER 170.A OG PHE 167.A O no hydrogen 2.792 N/A THR 175.A OG1 ASP 189.A OD1 no hydrogen 3.402 N/A ILE 177.A N LEU 188.A O no hydrogen 2.753 N/A THR 178.A N PHE 258.A O no hydrogen 3.049 N/A THR 178.A OG1 SER 256.A OG no hydrogen 2.979 N/A THR 178.A OG1 THR 259.A OG1 no hydrogen 2.723 N/A VAL 179.A N PHE 186.A O no hydrogen 2.986 N/A VAL 180.A N VAL 260.A O no hydrogen 2.860 N/A HIS 181.A N GLN 184.A O no hydrogen 2.993 N/A ASN 182.A ND2 SER 214.A O no hydrogen 2.671 N/A TYR 183.A N ASN 294.A OD1 no hydrogen 2.755 N/A TYR 183.A OH PHE 290.A O no hydrogen 3.156 N/A GLN 184.A N HIS 181.A O no hydrogen 2.960 N/A GLN 184.A NE2 SER 213.A O no hydrogen 3.607 N/A PHE 186.A N VAL 179.A O no hydrogen 2.829 N/A GLU 187.A N LYS 353.A O no hydrogen 2.747 N/A LEU 188.A N ILE 177.A O no hydrogen 3.014 N/A VAL 190.A N THR 175.A O no hydrogen 3.025 N/A HIS 192.A N THR 196.A O no hydrogen 2.638 N/A GLY 195.A N HIS 192.A O no hydrogen 3.108 N/A THR 196.A N ASP 194.A OD1 no hydrogen 2.732 N/A THR 196.A OG1 ASP 194.A OD1 no hydrogen 2.710 N/A LEU 198.A N VAL 190.A O no hydrogen 2.880 N/A SER 200.A OG GLU 118.A OE1 no hydrogen 3.506 N/A SER 200.A OG ASP 201.A OD2 no hydrogen 3.424 N/A GLN 202.A N THR 199.A OG1 no hydrogen 3.405 N/A GLN 202.A NE2 HIS 192.A NE2 no hydrogen 2.853 N/A ILE 203.A N THR 199.A O no hydrogen 2.777 N/A PHE 204.A N SER 200.A O no hydrogen 2.911 N/A VAL 205.A N ASP 201.A O no hydrogen 3.115 N/A GLN 206.A N GLN 202.A O no hydrogen 3.241 N/A GLN 206.A NE2 PRO 350.A O no hydrogen 3.057 N/A LEU 207.A N ILE 203.A O no hydrogen 2.884 N/A GLU 208.A N PHE 204.A O no hydrogen 2.937 N/A LYS 209.A N VAL 205.A O no hydrogen 3.287 N/A LYS 209.A NZ GLN 206.A OE1 no hydrogen 3.088 N/A LYS 209.A NZ PRO 350.A O no hydrogen 3.529 N/A ILE 210.A N GLN 206.A O no hydrogen 2.951 N/A TRP 211.A N LEU 207.A O no hydrogen 2.858 N/A ASN 212.A N GLU 208.A O no hydrogen 3.122 N/A SER 213.A N LYS 209.A O no hydrogen 3.005 N/A SER 213.A N ILE 210.A O no hydrogen 3.091 N/A SER 213.A OG LYS 209.A O no hydrogen 2.902 N/A SER 214.A N TRP 211.A O no hydrogen 3.267 N/A SER 214.A OG ILE 210.A O no hydrogen 2.974 N/A SER 217.A OG ASN 182.A OD1 no hydrogen 2.803 N/A VAL 222.A N GLU 220.A O no hydrogen 2.838 N/A ILE 224.A N PRO 221.A O no hydrogen 2.792 N/A LEU 225.A N VAL 222.A O no hydrogen 2.968 N/A THR 226.A N GLY 223.A O no hydrogen 3.217 N/A THR 226.A OG1 GLY 223.A O no hydrogen 2.611 N/A SER 227.A N ILE 224.A O no hydrogen 3.073 N/A SER 227.A OG ILE 224.A O no hydrogen 2.759 N/A ASN 228.A N LEU 225.A O no hydrogen 3.234 N/A HIS 229.A N ASN 228.A OD1 no hydrogen 2.663 N/A ARG 230.A N ARG 85.A O no hydrogen 2.917 N/A ARG 230.A NE ASP 162.A OD2 no hydrogen 2.673 N/A ARG 230.A NH1 ASP 298.A OD1 no hydrogen 3.072 N/A ARG 230.A NH2 ASP 162.A OD2 no hydrogen 2.681 N/A ARG 230.A NH2 ASP 298.A OD1 no hydrogen 2.848 N/A TRP 233.A N HIS 229.A O no hydrogen 2.782 N/A TRP 233.A NE1 ASP 298.A OD2 no hydrogen 2.680 N/A ALA 234.A N ARG 230.A O no hydrogen 2.879 N/A LYS 235.A N ASN 231.A O no hydrogen 3.372 N/A ALA 236.A N THR 232.A O no hydrogen 3.007 N/A TYR 237.A N TRP 233.A O no hydrogen 2.665 N/A ASN 238.A N ALA 234.A O no hydrogen 3.075 N/A ASN 239.A N LYS 235.A O no hydrogen 3.173 N/A LEU 240.A N ALA 236.A O no hydrogen 2.850 N/A ILE 241.A N TYR 237.A O no hydrogen 3.142 N/A LYS 242.A N ASN 239.A O no hydrogen 3.049 N/A LYS 242.A NZ ASN 238.A O no hydrogen 3.320 N/A LYS 242.A NZ ASN 238.A OD1 no hydrogen 3.011 N/A ASN 246.A N ASP 243.A OD2 no hydrogen 2.874 N/A ASN 246.A ND2 LEU 240.A O no hydrogen 3.059 N/A ASN 246.A ND2 ASN 358.A O no hydrogen 3.102 N/A ARG 247.A N ASP 243.A O no hydrogen 2.776 N/A ARG 247.A NH1 ILE 241.A O no hydrogen 2.718 N/A ARG 247.A NH1 LYS 242.A O no hydrogen 3.469 N/A GLU 248.A N LYS 244.A O no hydrogen 2.926 N/A SER 249.A N VAL 245.A O no hydrogen 2.909 N/A SER 249.A OG VAL 245.A O no hydrogen 3.371 N/A SER 249.A OG ARG 356.A O no hydrogen 2.596 N/A VAL 250.A N ASN 246.A O no hydrogen 2.874 N/A ASN 251.A N ARG 247.A O no hydrogen 2.955 N/A SER 252.A N GLU 248.A O no hydrogen 3.167 N/A SER 252.A OG GLU 187.A OE1 no hydrogen 2.722 N/A ILE 253.A N SER 249.A O no hydrogen 3.155 N/A GLN 254.A N VAL 250.A O no hydrogen 2.924 N/A GLN 254.A NE2 TYR 237.A OH no hydrogen 3.101 N/A LYS 255.A N ASN 251.A O no hydrogen 3.027 N/A LYS 255.A NZ ASN 251.A OD1 no hydrogen 2.987 N/A SER 256.A N SER 252.A O no hydrogen 2.832 N/A SER 256.A OG THR 178.A OG1 no hydrogen 2.979 N/A SER 256.A OG SER 252.A O no hydrogen 3.561 N/A SER 256.A OG ILE 253.A O no hydrogen 2.523 N/A ILE 257.A N HIS 176.A O no hydrogen 2.861 N/A THR 259.A N LEU 301.A O no hydrogen 3.069 N/A THR 259.A OG1 THR 178.A OG1 no hydrogen 2.723 N/A VAL 260.A N THR 178.A O no hydrogen 2.827 N/A CYS 261.A N PHE 303.A O no hydrogen 2.675 N/A CYS 261.A SG ASN 294.A O no hydrogen 3.556 N/A LEU 262.A N VAL 180.A O no hydrogen 2.902 N/A ASP 263.A N VAL 305.A O no hydrogen 3.114 N/A LYS 264.A N ASN 291.A OD1 no hydrogen 3.127 N/A LYS 264.A NZ TYR 183.A OH no hydrogen 3.433 N/A LYS 264.A NZ PHE 290.A O no hydrogen 2.938 N/A SER 270.A OG ASP 272.A OD2 no hydrogen 3.539 N/A VAL 273.A N SER 270.A O no hydrogen 3.016 N/A TYR 274.A N ASP 271.A O no hydrogen 3.439 N/A TYR 274.A OH ASP 308.A OD2 no hydrogen 2.599 N/A HIS 277.A N VAL 273.A O no hydrogen 3.092 N/A HIS 277.A ND1 VAL 273.A O no hydrogen 2.923 N/A VAL 278.A N TYR 274.A O no hydrogen 2.954 N/A ALA 279.A N ARG 275.A O no hydrogen 2.974 N/A GLY 280.A N ASN 276.A O no hydrogen 3.074 N/A GLN 281.A N HIS 277.A O no hydrogen 2.829 N/A MET 282.A N VAL 278.A O no hydrogen 2.968 N/A LEU 283.A N ALA 279.A O no hydrogen 2.904 N/A HIS 284.A N GLY 280.A O no hydrogen 2.885 N/A GLY 285.A N GLY 280.A O no hydrogen 3.080 N/A GLY 287.A N SER 292.A OG no hydrogen 2.758 N/A PHE 290.A N GLY 287.A O no hydrogen 3.014 N/A ASN 291.A N GLY 285.A O no hydrogen 3.085 N/A SER 292.A N GLY 287.A O no hydrogen 3.234 N/A SER 292.A OG HIS 284.A O no hydrogen 2.616 N/A ASN 294.A N ASN 291.A O no hydrogen 2.930 N/A ASN 294.A ND2 VAL 180.A O no hydrogen 2.915 N/A ASN 294.A ND2 LEU 262.A O no hydrogen 3.289 N/A ARG 295.A NH1 ASP 263.A OD1 no hydrogen 2.953 N/A ARG 295.A NH1 ASN 294.A O no hydrogen 3.113 N/A ARG 295.A NH2 ASP 263.A OD2 no hydrogen 2.755 N/A ARG 295.A NH2 GLN 281.A O no hydrogen 2.995 N/A PHE 297.A N THR 226.A OG1 no hydrogen 2.967 N/A LYS 299.A N TRP 296.A O no hydrogen 2.983 N/A LYS 299.A NZ SER 153.A O no hydrogen 3.088 N/A LYS 299.A NZ ILE 253.A O no hydrogen 2.789 N/A LYS 299.A NZ SER 256.A O no hydrogen 2.569 N/A LYS 299.A NZ SER 256.A OG no hydrogen 3.274 N/A THR 300.A OG1 SER 153.A OG no hydrogen 2.493 N/A GLN 302.A N VAL 314.A O no hydrogen 3.121 N/A PHE 303.A N THR 259.A O no hydrogen 2.835 N/A ILE 304.A N GLY 312.A O no hydrogen 2.742 N/A VAL 305.A N CYS 261.A O no hydrogen 2.794 N/A ALA 306.A N SER 310.A O no hydrogen 2.759 N/A SER 310.A N ASP 308.A OD1 no hydrogen 2.885 N/A SER 310.A OG TYR 274.A OH no hydrogen 2.741 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 3.271 N/A CYS 311.A SG PRO 99.A O no hydrogen 3.490 N/A GLY 312.A N ILE 304.A O no hydrogen 2.962 N/A MET 313.A N VAL 96.A O no hydrogen 2.907 N/A VAL 314.A N GLN 302.A O no hydrogen 3.050 N/A TYR 315.A N PRO 94.A O no hydrogen 3.239 N/A GLU 316.A N THR 300.A O no hydrogen 2.905 N/A HIS 317.A ND1 HIS 317.A O no hydrogen 2.775 N/A ALA 318.A N GLU 316.A OE1 no hydrogen 3.045 N/A GLU 321.A N GLN 146.A OE1 no hydrogen 2.906 N/A VAL 326.A N GLY 322.A O no hydrogen 2.830 N/A ALA 327.A N PRO 323.A O no hydrogen 2.884 N/A LEU 328.A N PRO 324.A O no hydrogen 3.116 N/A VAL 329.A N ILE 325.A O no hydrogen 2.920 N/A ASP 330.A N VAL 326.A O no hydrogen 2.636 N/A HIS 331.A N ALA 327.A O no hydrogen 3.211 N/A VAL 332.A N LEU 328.A O no hydrogen 2.969 N/A MET 333.A N VAL 329.A O no hydrogen 2.780 N/A GLU 334.A N ASP 330.A O no hydrogen 3.148 N/A TYR 335.A N HIS 331.A O no hydrogen 2.927 N/A THR 336.A N VAL 332.A O no hydrogen 2.926 N/A THR 336.A OG1 MET 333.A O no hydrogen 2.572 N/A LYS 337.A N GLU 334.A O no hydrogen 3.417 N/A LYS 337.A NZ MET 333.A O no hydrogen 3.109 N/A LYS 338.A N TYR 335.A O no hydrogen 2.949 N/A ARG 343.A NH1 SER 200.A OG no hydrogen 3.294 N/A ARG 343.A NH1 ASP 201.A OD1 no hydrogen 3.169 N/A LYS 353.A N GLU 187.A O no hydrogen 3.169 N/A LEU 355.A N PHE 185.A O no hydrogen 2.947 N/A ARG 356.A NH1 LYS 354.A O no hydrogen 3.354 N/A ASN 358.A N ASN 246.A OD1 no hydrogen 2.656 N/A ASN 358.A ND2 ASP 243.A OD1 no hydrogen 3.509 N/A ASN 358.A ND2 ASP 243.A OD2 no hydrogen 2.748 N/A ILE 363.A N THR 360.A OG1 no hydrogen 3.259 N/A LYS 364.A N THR 360.A O no hydrogen 2.830 N/A LYS 364.A NZ GLU 220.A OE1 no hydrogen 2.786 N/A LYS 364.A NZ GLU 220.A OE2 no hydrogen 2.963 N/A LYS 364.A NZ GLU 368.A OE1 no hydrogen 3.053 N/A ASN 365.A N PRO 361.A O no hydrogen 3.081 N/A ASP 366.A N GLU 362.A O no hydrogen 3.068 N/A ILE 367.A N ILE 363.A O no hydrogen 2.864 N/A GLU 368.A N LYS 364.A O no hydrogen 3.011 N/A LYS 369.A N ASN 365.A O no hydrogen 2.902 N/A ALA 370.A N ASP 366.A O no hydrogen 2.863 N/A LYS 371.A N ILE 367.A O no hydrogen 2.886 N/A LYS 371.A NZ GLU 368.A OE1 no hydrogen 3.094 N/A GLN 372.A N GLU 368.A O no hydrogen 3.115 N/A ASN 373.A N LYS 369.A O no hydrogen 3.032 N/A LEU 374.A N ALA 370.A O no hydrogen 3.012 N/A SER 375.A N LYS 371.A O no hydrogen 3.005 N/A SER 375.A OG LYS 371.A O no hydrogen 2.971 N/A ILE 376.A N GLN 372.A O no hydrogen 3.251 N/A MET 377.A N ASN 373.A O no hydrogen 3.064 N/A ILE 378.A N LEU 374.A O no hydrogen 2.808 N/A GLN 379.A N SER 375.A O no hydrogen 2.914 N/A ASP 380.A N ILE 376.A O no hydrogen 3.129 N/A ASP 380.A N MET 377.A O no hydrogen 3.183 N/A LEU 381.A N ILE 378.A O no hydrogen 2.918 N/A ASP 382.A N ALA 565.A O no hydrogen 2.741 N/A MET 384.A N VAL 563.A O no hydrogen 2.878 N/A MET 385.A N ASN 276.A OD1 no hydrogen 2.669 N/A LEU 386.A N PHE 561.A O no hydrogen 3.012 N/A PHE 388.A N ILE 559.A O no hydrogen 2.896 N/A HIS 390.A NE2 GLU 582.A OE2 no hydrogen 2.854 N/A GLY 392.A N ASP 394.A OD1 no hydrogen 2.877 N/A LYS 393.A N MET 555.A O no hydrogen 2.962 N/A ASP 394.A N GLU 556.A O no hydrogen 3.048 N/A PHE 395.A N ASP 394.A OD1 no hydrogen 2.592 N/A LYS 397.A N LYS 393.A O no hydrogen 3.038 N/A LYS 397.A NZ GLU 556.A OE1 no hydrogen 3.139 N/A SER 398.A N ASP 394.A O no hydrogen 3.117 N/A SER 398.A OG PHE 395.A O no hydrogen 2.573 N/A GLU 399.A N PHE 395.A O no hydrogen 3.046 N/A GLU 399.A N PRO 396.A O no hydrogen 2.964 N/A LYS 400.A N LYS 397.A O no hydrogen 2.834 N/A LEU 401.A N PRO 396.A O no hydrogen 2.817 N/A ALA 405.A N SER 402.A OG no hydrogen 3.301 N/A PHE 406.A N SER 402.A O no hydrogen 2.811 N/A ILE 407.A N PRO 403.A O no hydrogen 2.857 N/A GLN 408.A N ASP 404.A O no hydrogen 2.894 N/A GLN 408.A NE2 THR 527.A OG1 no hydrogen 3.127 N/A GLN 408.A NE2 TYR 552.A OH no hydrogen 2.808 N/A VAL 409.A N ALA 405.A O no hydrogen 2.828 N/A ALA 410.A N PHE 406.A O no hydrogen 2.917 N/A LEU 411.A N ILE 407.A O no hydrogen 2.912 N/A GLN 412.A N GLN 408.A O no hydrogen 3.062 N/A GLN 412.A NE2 THR 425.A OG1 no hydrogen 3.016 N/A LEU 413.A N VAL 409.A O no hydrogen 3.018 N/A ALA 414.A N ALA 410.A O no hydrogen 2.953 N/A TYR 415.A N LEU 411.A O no hydrogen 2.989 N/A TYR 416.A N GLN 412.A O no hydrogen 3.077 N/A ARG 417.A N LEU 413.A O no hydrogen 2.906 N/A ARG 417.A NH1 ASP 587.A OD2 no hydrogen 2.786 N/A ARG 417.A NH2 ASP 587.A OD2 no hydrogen 2.978 N/A ILE 418.A N ALA 414.A O no hydrogen 3.223 N/A ILE 418.A N TYR 415.A O no hydrogen 3.072 N/A TYR 419.A N TYR 415.A O no hydrogen 2.850 N/A TYR 419.A OH TYR 548.A OH no hydrogen 2.747 N/A TYR 419.A OH GLU 571.A O no hydrogen 2.624 N/A GLY 420.A N TYR 416.A O no hydrogen 2.603 N/A CYS 423.A SG ALA 424.A O no hydrogen 3.676 N/A THR 425.A OG1 CYS 423.A O no hydrogen 2.978 N/A TYR 426.A N LEU 525.A O no hydrogen 2.920 N/A GLU 427.A N ILE 442.A O no hydrogen 2.967 N/A SER 428.A N THR 527.A O no hydrogen 3.093 N/A ALA 429.A N ASP 440.A O no hydrogen 3.073 N/A LEU 431.A N ARG 438.A O no hydrogen 2.962 N/A ARG 432.A N SER 430.A OG no hydrogen 3.338 N/A ARG 432.A NE CYS 143.A O no hydrogen 2.983 N/A ARG 432.A NH2 GLU 135.A OE2 no hydrogen 2.932 N/A ARG 432.A NH2 CYS 143.A O no hydrogen 2.995 N/A PHE 434.A N LEU 431.A O no hydrogen 3.133 N/A HIS 435.A N PRO 10.A O no hydrogen 3.017 N/A GLY 437.A N PHE 434.A O no hydrogen 2.848 N/A ARG 438.A NE GLU 321.A OE1 no hydrogen 3.394 N/A ARG 438.A NE GLU 321.A OE2 no hydrogen 2.725 N/A ARG 438.A NH1 ALA 318.A O no hydrogen 3.104 N/A ARG 438.A NH2 HIS 317.A O no hydrogen 3.199 N/A ARG 438.A NH2 GLU 321.A OE1 no hydrogen 2.850 N/A ASP 440.A N ALA 429.A O no hydrogen 2.882 N/A THR 441.A N ASP 440.A OD1 no hydrogen 2.711 N/A ILE 442.A N GLU 427.A O no hydrogen 3.027 N/A ARG 443.A NE ASP 491.A OD1 no hydrogen 2.846 N/A ARG 443.A NH1 ALA 520.A O no hydrogen 2.887 N/A ARG 443.A NH2 ASP 491.A OD2 no hydrogen 2.848 N/A ARG 443.A NH2 ALA 520.A O no hydrogen 2.857 N/A SER 444.A OG GLN 408.A OE1 no hydrogen 2.531 N/A SER 446.A N SER 449.A OG no hydrogen 2.879 N/A SER 449.A N SER 446.A OG no hydrogen 3.223 N/A SER 449.A OG SER 444.A O no hydrogen 3.369 N/A SER 449.A OG SER 446.A O no hydrogen 3.139 N/A LEU 450.A N SER 446.A O no hydrogen 3.034 N/A ALA 451.A N ILE 447.A O no hydrogen 2.990 N/A PHE 452.A N ASP 448.A O no hydrogen 3.077 N/A VAL 453.A N SER 449.A O no hydrogen 3.030 N/A LYS 454.A N LEU 450.A O no hydrogen 3.089 N/A GLY 455.A N ALA 451.A O no hydrogen 3.178 N/A MET 456.A N PHE 452.A O no hydrogen 2.741 N/A GLY 457.A N VAL 453.A O no hydrogen 3.416 N/A ASP 458.A N GLY 455.A O no hydrogen 3.268 N/A THR 460.A N ASP 458.A OD1 no hydrogen 2.806 N/A THR 460.A OG1 ASP 458.A OD1 no hydrogen 2.597 N/A VAL 461.A N ASP 458.A O no hydrogen 3.384 N/A GLN 465.A N PRO 462.A O no hydrogen 2.819 N/A LYS 466.A N PRO 462.A O no hydrogen 3.117 N/A LYS 466.A N GLU 463.A O no hydrogen 3.200 N/A LYS 466.A NZ MET 456.A O no hydrogen 2.748 N/A LYS 466.A NZ ASP 458.A O no hydrogen 2.905 N/A VAL 467.A N GLU 463.A O no hydrogen 3.312 N/A LEU 469.A N GLN 465.A O no hydrogen 3.281 N/A LEU 470.A N LYS 466.A O no hydrogen 2.926 N/A ARG 471.A N VAL 467.A O no hydrogen 2.974 N/A LYS 472.A N GLU 468.A O no hydrogen 2.949 N/A ALA 473.A N LEU 469.A O no hydrogen 3.024 N/A VAL 474.A N LEU 470.A O no hydrogen 3.036 N/A GLN 475.A N ARG 471.A O no hydrogen 2.845 N/A ALA 476.A N LYS 472.A O no hydrogen 2.959 N/A HIS 477.A N ALA 473.A O no hydrogen 3.010 N/A ARG 478.A N VAL 474.A O no hydrogen 2.914 N/A ARG 478.A NE ARG 478.A O no hydrogen 3.085 N/A ARG 478.A NE ASP 482.A OD2 no hydrogen 3.279 N/A ARG 478.A NH2 ASP 482.A OD1 no hydrogen 2.777 N/A ALA 479.A N GLN 475.A O no hydrogen 2.921 N/A TYR 480.A N ALA 476.A O no hydrogen 3.146 N/A THR 481.A N HIS 477.A O no hydrogen 2.930 N/A THR 481.A OG1 HIS 477.A O no hydrogen 2.787 N/A ASP 482.A N ARG 478.A O no hydrogen 2.896 N/A ARG 483.A N ALA 479.A O no hydrogen 2.994 N/A ALA 484.A N TYR 480.A O no hydrogen 2.842 N/A ILE 485.A N THR 481.A O no hydrogen 3.107 N/A ARG 486.A N ARG 483.A O no hydrogen 3.220 N/A ARG 486.A NH1 ASP 482.A O no hydrogen 2.923 N/A GLY 487.A N ALA 484.A O no hydrogen 3.123 N/A GLU 488.A N ARG 483.A O no hydrogen 2.665 N/A ARG 492.A N ASP 440.A OD1 no hydrogen 3.279 N/A ARG 492.A NH1 THR 441.A OG1 no hydrogen 2.799 N/A ARG 492.A NH2 TYR 426.A OH no hydrogen 2.844 N/A ARG 492.A NH2 THR 439.A OG1 no hydrogen 2.981 N/A HIS 493.A ND1 SER 20.A OG no hydrogen 2.696 N/A LEU 494.A N PHE 490.A O no hydrogen 2.862 N/A LEU 495.A N ASP 491.A O no hydrogen 3.049 N/A GLY 496.A N ARG 492.A O no hydrogen 2.892 N/A LEU 497.A N HIS 493.A O no hydrogen 2.960 N/A LYS 498.A N LEU 494.A O no hydrogen 3.067 N/A LEU 499.A N LEU 495.A O no hydrogen 2.837 N/A GLN 500.A N GLY 496.A O no hydrogen 2.753 N/A GLN 500.A NE2 ASP 504.A OD1 no hydrogen 2.886 N/A ALA 501.A N LEU 497.A O no hydrogen 3.042 N/A ILE 502.A N LYS 498.A O no hydrogen 3.138 N/A GLU 503.A N LEU 499.A O no hydrogen 3.010 N/A ASP 504.A N GLN 500.A O no hydrogen 2.809 N/A LEU 505.A N ILE 502.A O no hydrogen 2.959 N/A VAL 506.A N ALA 501.A O no hydrogen 3.221 N/A PHE 512.A N PRO 509.A O no hydrogen 3.076 N/A MET 513.A N ASP 510.A O no hydrogen 2.703 N/A SER 516.A N ASP 514.A OD2 no hydrogen 3.248 N/A SER 516.A OG THR 40.A OG1 no hydrogen 2.650 N/A TYR 517.A N ASP 514.A O no hydrogen 3.003 N/A ALA 518.A N ASP 514.A O no hydrogen 3.314 N/A ILE 519.A N THR 515.A O no hydrogen 3.043 N/A ALA 520.A N SER 516.A O no hydrogen 2.879 N/A MET 521.A N TYR 517.A O no hydrogen 2.936 N/A HIS 522.A N ILE 519.A O no hydrogen 3.098 N/A LEU 525.A N ALA 424.A O no hydrogen 3.460 N/A SER 526.A N TYR 548.A O no hydrogen 3.045 N/A THR 527.A N TYR 426.A O no hydrogen 2.777 N/A THR 527.A OG1 TYR 426.A O no hydrogen 2.877 N/A SER 528.A N ILE 550.A O no hydrogen 3.238 N/A VAL 530.A N TYR 552.A O no hydrogen 2.949 N/A ALA 532.A N ASN 553.A OD1 no hydrogen 3.210 N/A LYS 533.A N ASP 330.A OD2 no hydrogen 3.005 N/A THR 534.A N ASP 330.A OD1 no hydrogen 3.030 N/A THR 534.A OG1 ASP 330.A OD1 no hydrogen 2.770 N/A CYS 536.A N THR 534.A O no hydrogen 2.709 N/A CYS 536.A SG THR 534.A O no hydrogen 3.678 N/A VAL 537.A N ILE 97.A O no hydrogen 3.227 N/A PHE 539.A N GLY 95.A O no hydrogen 3.024 N/A GLY 541.A N ILE 90.A O no hydrogen 2.939 N/A GLY 547.A N VAL 544.A O no hydrogen 3.155 N/A TYR 548.A N ASN 524.A O no hydrogen 2.656 N/A TYR 548.A OH TYR 419.A OH no hydrogen 2.747 N/A GLY 549.A N SER 564.A O no hydrogen 3.063 N/A ILE 550.A N SER 526.A O no hydrogen 2.947 N/A CYS 551.A N SER 562.A O no hydrogen 3.174 N/A CYS 551.A SG SER 528.A O no hydrogen 3.696 N/A CYS 551.A SG SER 528.A OG no hydrogen 3.380 N/A TYR 552.A N SER 528.A O no hydrogen 3.289 N/A TYR 552.A OH ASP 404.A OD1 no hydrogen 2.653 N/A ASN 553.A N ASN 560.A O no hydrogen 2.867 N/A ASN 553.A ND2 THR 534.A O no hydrogen 3.197 N/A ASN 553.A ND2 CYS 536.A O no hydrogen 2.969 N/A MET 555.A N HIS 558.A O no hydrogen 2.737 N/A HIS 558.A NE2 ASP 535.A OD1 no hydrogen 2.782 N/A ILE 559.A N PHE 388.A O no hydrogen 2.935 N/A ASN 560.A N ASN 553.A O no hydrogen 3.038 N/A PHE 561.A N LEU 386.A O no hydrogen 2.800 N/A SER 562.A N CYS 551.A O no hydrogen 2.940 N/A SER 562.A OG MET 538.A O no hydrogen 2.748 N/A SER 562.A OG CYS 551.A O no hydrogen 3.330 N/A VAL 563.A N MET 384.A O no hydrogen 2.934 N/A SER 564.A N GLY 549.A O no hydrogen 2.843 N/A SER 564.A OG PHE 540.A O no hydrogen 2.720 N/A SER 564.A OG GLY 549.A O no hydrogen 3.112 N/A ALA 565.A N ASP 382.A O no hydrogen 2.841 N/A TYR 566.A OH PRO 542.A O no hydrogen 2.817 N/A ASN 567.A N ASP 380.A O no hydrogen 2.750 N/A ASN 567.A ND2 GLN 379.A O no hydrogen 2.976 N/A CYS 569.A N TYR 566.A O no hydrogen 3.122 N/A CYS 569.A SG GLU 571.A OE1 no hydrogen 3.866 N/A THR 572.A N CYS 569.A O no hydrogen 3.177 N/A THR 572.A OG1 CYS 569.A O no hydrogen 3.191 N/A ASN 573.A N TYR 548.A OH no hydrogen 3.005 N/A ALA 574.A N ASP 382.A OD2 no hydrogen 2.822 N/A ARG 576.A N ASN 573.A OD1 no hydrogen 2.697 N/A MET 577.A N ASN 573.A O no hydrogen 2.967 N/A ALA 578.A N ALA 574.A O no hydrogen 2.924 N/A HIS 579.A N ALA 575.A O no hydrogen 2.922 N/A TYR 580.A N ARG 576.A O no hydrogen 2.969 N/A LEU 581.A N MET 577.A O no hydrogen 2.883 N/A GLU 582.A N ALA 578.A O no hydrogen 2.945 N/A LYS 583.A N HIS 579.A O no hydrogen 3.029 N/A LYS 583.A NZ ASP 587.A OD1 no hydrogen 2.800 N/A LYS 583.A NZ ASP 587.A OD2 no hydrogen 3.185 N/A ALA 584.A N TYR 580.A O no hydrogen 2.823 N/A LEU 585.A N LEU 581.A O no hydrogen 3.045 N/A LEU 586.A N GLU 582.A O no hydrogen 3.101 N/A ASP 587.A N LYS 583.A O no hydrogen 2.875 N/A MET 588.A N ALA 584.A O no hydrogen 3.010 N/A ARG 589.A N LEU 585.A O no hydrogen 3.178 N/A THR 590.A N LEU 586.A O no hydrogen 2.907 N/A THR 590.A OG1 LEU 586.A O no hydrogen 3.032 N/A LEU 591.A N ASP 587.A O no hydrogen 2.951 N/A LEU 592.A N MET 588.A O no hydrogen 3.150 N/A GLN 593.A N ARG 589.A O no hydrogen 2.896 N/A ASN 594.A N THR 590.A O no hydrogen 2.979 N/A HIS 595.A N LEU 592.A O no hydrogen 3.272 N/A HIS 595.A NE2 GLU 463.A OE1 no hydrogen 2.632 N/A