Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ais_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N GLN 101.A OE1 no hydrogen 2.769 N/A GLN 3.A NE2 THR 394.A OG1 no hydrogen 3.038 N/A GLN 3.A NE2 ASP 397.A OD2 no hydrogen 2.965 N/A GLN 7.A N ASP 115.A OD1 no hydrogen 3.159 N/A GLN 7.A NE2 TYR 116.A O no hydrogen 2.641 N/A GLN 7.A NE2 SER 118.A OG no hydrogen 3.231 N/A GLN 8.A N LYS 114.A O no hydrogen 2.954 N/A ILE 10.A N GLU 112.A O no hydrogen 2.949 N/A GLN 12.A N GLU 110.A O no hydrogen 2.707 N/A ILE 16.A N LEU 108.A O no hydrogen 2.724 N/A LEU 18.A N GLY 106.A O no hydrogen 2.928 N/A GLN 23.A N MET 47.A O no hydrogen 2.452 N/A ASN 25.A N ILE 49.A O no hydrogen 2.952 N/A GLU 29.A N GLY 26.A O no hydrogen 3.138 N/A ALA 30.A N GLY 26.A O no hydrogen 3.008 N/A ASN 31.A N GLU 53.A OE1 no hydrogen 3.163 N/A ASN 31.A N GLU 53.A OE2 no hydrogen 2.920 N/A ASN 31.A ND2 GLU 89.A O no hydrogen 2.669 N/A ASN 31.A ND2 GLU 191.A OE2 no hydrogen 2.818 N/A HIS 33.A N ASN 31.A OD1 no hydrogen 2.757 N/A HIS 33.A ND1 GLU 191.A OE2 no hydrogen 2.711 N/A VAL 35.A N ASN 31.A O no hydrogen 3.169 N/A LYS 36.A N PRO 32.A O no hydrogen 3.133 N/A LEU 38.A N ALA 34.A O no hydrogen 3.055 N/A LYS 39.A N VAL 35.A O no hydrogen 2.863 N/A GLU 40.A N LYS 36.A O no hydrogen 2.889 N/A LEU 41.A N VAL 37.A O no hydrogen 3.049 N/A LEU 42.A N LEU 38.A O no hydrogen 2.909 N/A SER 43.A N GLU 40.A O no hydrogen 3.391 N/A MET 47.A N VAL 21.A O no hydrogen 3.150 N/A LEU 48.A N LYS 80.A O no hydrogen 3.404 N/A ILE 49.A N GLN 23.A O no hydrogen 2.833 N/A SER 50.A N ILE 82.A O no hydrogen 2.969 N/A ILE 51.A N ASN 25.A O no hydrogen 3.039 N/A GLY 52.A N LEU 84.A O no hydrogen 3.188 N/A GLU 53.A N ASP 56.A OD2 no hydrogen 2.820 N/A LYS 54.A N GLY 86.A O no hydrogen 2.900 N/A ASP 56.A N GLU 53.A O no hydrogen 2.761 N/A SER 58.A OG ILE 51.A O no hydrogen 2.827 N/A VAL 59.A N ASP 56.A O no hydrogen 3.392 N/A ARG 60.A N LYS 57.A O no hydrogen 3.352 N/A ARG 60.A NE LYS 57.A O no hydrogen 2.817 N/A TYR 62.A N VAL 59.A O no hydrogen 3.001 N/A TYR 62.A OH GLU 81.A OE2 no hydrogen 2.610 N/A SER 63.A N ARG 60.A O no hydrogen 3.351 N/A SER 63.A OG ARG 60.A O no hydrogen 3.271 N/A GLN 65.A N TYR 62.A O no hydrogen 2.644 N/A ILE 66.A N TYR 62.A O no hydrogen 3.181 N/A HIS 69.A N PRO 67.A O no hydrogen 2.903 N/A GLU 71.A N ASP 88.A OD2 no hydrogen 2.772 N/A GLY 72.A N HIS 69.A O no hydrogen 2.961 N/A TYR 73.A N ASP 115.A O no hydrogen 3.033 N/A TYR 73.A OH ASP 115.A OD2 no hydrogen 2.453 N/A TYR 74.A N ALA 85.A O no hydrogen 2.729 N/A TYR 74.A OH GLU 112.A OE1 no hydrogen 2.608 N/A LEU 75.A N ILE 113.A O no hydrogen 2.795 N/A SER 76.A N VAL 83.A O no hydrogen 2.984 N/A VAL 77.A N VAL 111.A O no hydrogen 3.093 N/A ASN 78.A N GLU 81.A O no hydrogen 2.960 N/A GLU 81.A N ASN 78.A OD1 no hydrogen 2.544 N/A ILE 82.A N LEU 48.A O no hydrogen 2.773 N/A VAL 83.A N SER 76.A O no hydrogen 2.814 N/A LEU 84.A N SER 50.A O no hydrogen 2.944 N/A ALA 85.A N TYR 74.A O no hydrogen 2.916 N/A GLY 86.A N GLY 52.A O no hydrogen 3.068 N/A ASN 87.A N GLY 72.A O no hydrogen 2.815 N/A ASN 87.A ND2 HIS 69.A O no hydrogen 2.957 N/A ARG 90.A NE GLU 191.A OE1 no hydrogen 3.559 N/A ARG 90.A NH1 GLU 71.A OE2 no hydrogen 3.074 N/A ARG 90.A NH2 ASP 193.A OD1 no hydrogen 3.329 N/A GLY 91.A N ASP 88.A OD1 no hydrogen 2.768 N/A THR 92.A N ASP 88.A O no hydrogen 3.120 N/A THR 92.A OG1 GLY 52.A O no hydrogen 3.428 N/A THR 92.A OG1 GLU 53.A OE2 no hydrogen 2.498 N/A THR 92.A OG1 ASP 88.A O no hydrogen 3.257 N/A TYR 93.A N GLU 89.A O no hydrogen 3.258 N/A TYR 94.A N ARG 90.A O no hydrogen 2.859 N/A ALA 95.A N GLY 91.A O no hydrogen 2.931 N/A LEU 96.A N THR 92.A O no hydrogen 3.128 N/A GLN 97.A N TYR 93.A O no hydrogen 3.137 N/A THR 98.A N TYR 94.A O no hydrogen 2.997 N/A THR 98.A OG1 TYR 73.A OH no hydrogen 2.555 N/A THR 98.A OG1 TYR 94.A O no hydrogen 3.462 N/A PHE 99.A N ALA 95.A O no hydrogen 2.861 N/A ALA 100.A N LEU 96.A O no hydrogen 2.877 N/A GLN 101.A NE2 GLN 3.A O no hydrogen 3.181 N/A GLN 101.A NE2 GLN 97.A O no hydrogen 3.295 N/A LEU 102.A N THR 98.A O no hydrogen 3.315 N/A LEU 102.A N PHE 99.A O no hydrogen 3.244 N/A LYS 104.A N LYS 107.A O no hydrogen 3.219 N/A LEU 108.A N ILE 16.A O no hydrogen 2.831 N/A GLU 110.A N LYS 14.A O no hydrogen 3.310 N/A GLU 112.A N ILE 10.A O no hydrogen 2.882 N/A ILE 113.A N LEU 75.A O no hydrogen 2.721 N/A LYS 114.A N GLN 8.A O no hydrogen 3.218 N/A ASP 115.A N TYR 73.A O no hydrogen 3.149 N/A TYR 116.A N ASP 115.A OD1 no hydrogen 2.873 N/A SER 118.A N TRP 384.A O no hydrogen 2.952 N/A SER 118.A OG TRP 384.A O no hydrogen 3.509 N/A ARG 120.A NH1 ARG 120.A O no hydrogen 3.090 N/A TYR 121.A N SER 359.A O no hydrogen 3.301 N/A ARG 122.A N ASN 151.A OD1 no hydrogen 2.994 N/A ARG 122.A NE LYS 149.A O no hydrogen 2.941 N/A ARG 122.A NH1 GLU 71.A OE1 no hydrogen 2.926 N/A ARG 122.A NH1 VAL 119.A O no hydrogen 2.736 N/A ARG 122.A NH2 GLU 71.A OE1 no hydrogen 2.718 N/A ARG 122.A NH2 LYS 149.A O no hydrogen 2.887 N/A GLY 123.A N PHE 361.A O no hydrogen 3.020 N/A VAL 124.A N THR 152.A O no hydrogen 3.095 N/A VAL 125.A N THR 363.A O no hydrogen 3.026 N/A GLU 126.A N ILE 154.A O no hydrogen 2.773 N/A GLY 127.A N ASN 364.A OD1 no hydrogen 3.109 N/A TYR 129.A N ASP 336.A OD2 no hydrogen 2.948 N/A TYR 129.A OH ASP 235.A OD2 no hydrogen 2.739 N/A GLY 130.A N ASP 159.A OD2 no hydrogen 2.766 N/A TRP 133.A N GLU 126.A OE2 no hydrogen 2.893 N/A TRP 133.A NE1 MET 366.A O no hydrogen 3.072 N/A HIS 135.A NE2 GLU 182.A OE1 no hydrogen 2.895 N/A ALA 137.A N SER 134.A OG no hydrogen 3.033 N/A ARG 138.A N SER 134.A O no hydrogen 2.994 N/A ARG 138.A NE GLU 126.A OE1 no hydrogen 3.001 N/A ARG 138.A NH2 GLU 126.A OE1 no hydrogen 3.533 N/A ARG 138.A NH2 GLU 126.A OE2 no hydrogen 2.883 N/A LEU 139.A N HIS 135.A O no hydrogen 3.068 N/A SER 140.A N GLN 136.A O no hydrogen 3.128 N/A GLN 141.A N ALA 137.A O no hydrogen 2.864 N/A GLN 141.A NE2 ALA 369.A O no hydrogen 3.069 N/A LEU 142.A N ARG 138.A O no hydrogen 3.063 N/A LYS 143.A N LEU 139.A O no hydrogen 3.447 N/A PHE 144.A N SER 140.A O no hydrogen 3.144 N/A TYR 145.A N GLN 141.A O no hydrogen 2.853 N/A TYR 145.A OH GLN 141.A OE1 no hydrogen 2.804 N/A GLY 146.A N LEU 142.A O no hydrogen 3.178 N/A LYS 147.A N LYS 143.A O no hydrogen 3.111 N/A ASN 148.A N PHE 144.A O no hydrogen 3.167 N/A ASN 148.A N TYR 145.A O no hydrogen 3.042 N/A ASN 148.A ND2 PHE 144.A O no hydrogen 3.034 N/A LYS 149.A N GLY 146.A O no hydrogen 3.192 N/A LYS 149.A NZ THR 98.A OG1 no hydrogen 2.601 N/A MET 150.A N TYR 145.A O no hydrogen 2.911 N/A ASN 151.A N ARG 122.A O no hydrogen 2.824 N/A ASN 151.A ND2 GLU 71.A OE2 no hydrogen 2.706 N/A ASN 151.A ND2 ARG 120.A O no hydrogen 2.883 N/A THR 152.A OG1 ASN 151.A OD1 no hydrogen 2.900 N/A TYR 153.A N ASP 193.A O no hydrogen 2.950 N/A TYR 153.A OH GLU 126.A OE1 no hydrogen 2.565 N/A ILE 154.A N VAL 124.A O no hydrogen 2.747 N/A TYR 155.A N VAL 195.A O no hydrogen 2.816 N/A TYR 155.A OH ASP 160.A OD2 no hydrogen 2.479 N/A GLY 156.A N GLU 126.A O no hydrogen 2.872 N/A LYS 158.A N PHE 128.A O no hydrogen 3.129 N/A LYS 158.A NZ GLY 127.A O no hydrogen 3.017 N/A LYS 158.A NZ ASP 234.A OD2 no hydrogen 2.746 N/A ASP 160.A N PRO 157.A O no hydrogen 3.019 N/A TYR 162.A N ASP 160.A OD1 no hydrogen 3.059 N/A HIS 163.A N ASP 160.A O no hydrogen 2.935 N/A HIS 163.A ND1 ALA 197.A O no hydrogen 2.668 N/A SER 164.A N ASP 160.A O no hydrogen 3.155 N/A SER 164.A OG HIS 199.A ND1 no hydrogen 2.799 N/A SER 164.A OG HIS 199.A O no hydrogen 3.399 N/A TRP 168.A NE1 ASP 203.A OD1 no hydrogen 3.034 N/A ARG 169.A N PRO 166.A O no hydrogen 3.474 N/A ARG 169.A NE ASP 210.A OD1 no hydrogen 2.979 N/A ARG 169.A NH1 PRO 166.A O no hydrogen 3.349 N/A ARG 169.A NH1 ASP 203.A OD1 no hydrogen 3.445 N/A ARG 169.A NH1 ASP 203.A OD2 no hydrogen 2.794 N/A ARG 169.A NH2 ASP 203.A O no hydrogen 2.890 N/A ARG 169.A NH2 ASP 203.A OD1 no hydrogen 3.533 N/A ARG 169.A NH2 ASP 210.A OD1 no hydrogen 3.328 N/A ARG 169.A NH2 ASP 210.A OD2 no hydrogen 3.103 N/A LEU 170.A N ASN 167.A O no hydrogen 2.984 N/A TYR 172.A OH ASP 160.A OD2 no hydrogen 2.614 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.837 N/A ALA 177.A N PRO 173.A O no hydrogen 2.972 N/A ALA 178.A N ASP 174.A O no hydrogen 2.950 N/A GLN 179.A N LYS 175.A O no hydrogen 3.122 N/A LEU 180.A N GLU 176.A O no hydrogen 2.858 N/A GLN 181.A N ALA 177.A O no hydrogen 2.934 N/A GLU 182.A N ALA 178.A O no hydrogen 3.044 N/A LEU 183.A N GLN 179.A O no hydrogen 2.869 N/A VAL 184.A N LEU 180.A O no hydrogen 2.896 N/A ALA 185.A N GLN 181.A O no hydrogen 3.093 N/A VAL 186.A N GLU 182.A O no hydrogen 2.939 N/A ALA 187.A N LEU 183.A O no hydrogen 2.685 N/A ASN 188.A N VAL 184.A O no hydrogen 2.874 N/A GLU 189.A N ALA 185.A O no hydrogen 3.195 N/A ASN 190.A N ALA 187.A O no hydrogen 2.904 N/A ASN 190.A ND2 VAL 186.A O no hydrogen 2.838 N/A GLU 191.A N ASN 188.A O no hydrogen 3.277 N/A VAL 192.A N ALA 187.A O no hydrogen 3.048 N/A ASP 193.A N ASN 151.A O no hydrogen 2.636 N/A VAL 195.A N TYR 153.A O no hydrogen 2.707 N/A TRP 196.A N SER 228.A O no hydrogen 3.057 N/A TRP 196.A NE1 TYR 172.A OH no hydrogen 3.095 N/A ALA 197.A N TYR 155.A O no hydrogen 3.013 N/A ILE 198.A N ALA 230.A O no hydrogen 2.993 N/A HIS 199.A N HIS 163.A O no hydrogen 2.838 N/A HIS 199.A ND1 SER 164.A OG no hydrogen 2.799 N/A HIS 199.A NE2 ASP 234.A O no hydrogen 2.745 N/A GLN 202.A NE2 SER 237.A O no hydrogen 3.277 N/A ASP 203.A N PRO 200.A O no hydrogen 3.381 N/A LYS 205.A N ASP 210.A OD2 no hydrogen 2.632 N/A TRP 206.A NE1 GLU 239.A O no hydrogen 2.744 N/A ASP 210.A N ASN 207.A OD1 no hydrogen 2.885 N/A ARG 211.A N ASN 207.A O no hydrogen 3.405 N/A ASP 212.A N LYS 208.A O no hydrogen 2.945 N/A LEU 213.A N GLU 209.A O no hydrogen 3.032 N/A LEU 214.A N ASP 210.A O no hydrogen 2.893 N/A LEU 215.A N ARG 211.A O no hydrogen 2.997 N/A ALA 216.A N ASP 212.A O no hydrogen 2.622 N/A LYS 217.A N LEU 213.A O no hydrogen 2.888 N/A LYS 217.A NZ TYR 162.A O no hydrogen 2.783 N/A LYS 217.A NZ TRP 168.A O no hydrogen 2.801 N/A LYS 217.A NZ LEU 170.A O no hydrogen 2.612 N/A PHE 218.A N LEU 214.A O no hydrogen 2.839 N/A GLU 219.A N LEU 215.A O no hydrogen 2.808 N/A LYS 220.A N ALA 216.A O no hydrogen 2.944 N/A MET 221.A N LYS 217.A O no hydrogen 2.856 N/A TYR 222.A N PHE 218.A O no hydrogen 2.762 N/A TYR 222.A OH ASP 263.A OD1 no hydrogen 2.599 N/A GLN 223.A N GLU 219.A O no hydrogen 3.005 N/A GLN 223.A NE2 GLU 219.A OE2 no hydrogen 2.971 N/A LEU 224.A N LYS 220.A O no hydrogen 3.364 N/A LEU 224.A N MET 221.A O no hydrogen 2.985 N/A GLY 225.A N TYR 222.A O no hydrogen 2.938 N/A VAL 226.A N MET 221.A O no hydrogen 3.164 N/A ARG 227.A NE ASP 263.A OD2 no hydrogen 2.941 N/A ARG 227.A NH1 TYR 222.A O no hydrogen 2.862 N/A ARG 227.A NH1 VAL 226.A O no hydrogen 2.835 N/A PHE 229.A N GLN 266.A O no hydrogen 2.985 N/A ALA 230.A N TRP 196.A O no hydrogen 2.944 N/A VAL 231.A N VAL 268.A O no hydrogen 2.984 N/A PHE 232.A N ILE 198.A O no hydrogen 2.630 N/A PHE 233.A N CYS 270.A O no hydrogen 2.806 N/A ASP 234.A N ASP 234.A OD1 no hydrogen 2.664 N/A SER 237.A N GLN 202.A OE1 no hydrogen 2.949 N/A THR 241.A N GLY 238.A O no hydrogen 3.002 N/A THR 241.A OG1 GLY 238.A O no hydrogen 2.666 N/A ASN 242.A N GLU 239.A O no hydrogen 3.121 N/A GLN 244.A NE2 GLU 248.A OE2 no hydrogen 2.684 N/A LYS 245.A N ASN 242.A OD1 no hydrogen 3.018 N/A GLN 246.A N ASN 242.A O no hydrogen 2.962 N/A GLN 246.A NE2 GLY 240.A O no hydrogen 2.782 N/A GLN 246.A NE2 THR 272.A OG1 no hydrogen 3.061 N/A ALA 247.A N PRO 243.A O no hydrogen 3.086 N/A GLU 248.A N GLN 244.A O no hydrogen 3.033 N/A LEU 249.A N LYS 245.A O no hydrogen 2.907 N/A LEU 250.A N GLN 246.A O no hydrogen 2.986 N/A ASN 251.A N ALA 247.A O no hydrogen 2.765 N/A ASN 251.A ND2 LYS 292.A O no hydrogen 2.992 N/A TYR 252.A N GLU 248.A O no hydrogen 2.838 N/A ILE 253.A N LEU 249.A O no hydrogen 2.847 N/A ASP 254.A N LEU 250.A O no hydrogen 2.826 N/A GLU 255.A N ASN 251.A O no hydrogen 2.780 N/A LYS 256.A N TYR 252.A O no hydrogen 2.762 N/A ALA 258.A N ILE 253.A O no hydrogen 2.891 N/A GLN 259.A N ASP 254.A O no hydrogen 2.783 N/A GLN 259.A NE2 ASP 254.A OD1 no hydrogen 2.733 N/A VAL 260.A N PHE 257.A O no hydrogen 3.193 N/A LYS 261.A N PHE 257.A O no hydrogen 3.083 N/A LYS 261.A NZ GLU 219.A OE1 no hydrogen 2.864 N/A LYS 261.A NZ GLU 219.A OE2 no hydrogen 3.521 N/A ASN 265.A N ARG 227.A O no hydrogen 2.868 N/A GLN 266.A N SER 228.A OG no hydrogen 3.114 N/A GLN 266.A NE2 THR 152.A OG1 no hydrogen 3.049 N/A GLN 266.A NE2 ASP 193.A OD2 no hydrogen 2.708 N/A VAL 268.A N PHE 229.A O no hydrogen 3.068 N/A MET 269.A N GLN 298.A O no hydrogen 2.909 N/A CYS 270.A N VAL 231.A O no hydrogen 3.050 N/A CYS 270.A SG PRO 271.A O no hydrogen 3.977 N/A THR 272.A N TYR 285.A OH no hydrogen 2.747 N/A THR 272.A OG1 PHE 233.A O no hydrogen 2.876 N/A TYR 274.A OH ASP 235.A OD1 no hydrogen 2.616 N/A LYS 276.A N GLY 303.A O no hydrogen 2.911 N/A SER 277.A N ASP 304.A O no hydrogen 2.992 N/A SER 277.A OG ASN 275.A OD1 no hydrogen 2.656 N/A TRP 278.A N ASN 275.A O no hydrogen 2.951 N/A TRP 278.A N ASN 275.A OD1 no hydrogen 3.148 N/A SER 279.A N LYS 276.A O no hydrogen 2.967 N/A SER 279.A OG.A GLU 273.A OE1 no hydrogen 2.980 N/A SER 279.A OG.B ASN 275.A O no hydrogen 2.929 N/A ASN 280.A N GLU 273.A OE1 no hydrogen 3.238 N/A ASN 282.A N ASN 280.A OD1 no hydrogen 3.047 N/A GLY 283.A N ASN 280.A O no hydrogen 3.093 N/A TYR 285.A OH GLN 246.A OE1 no hydrogen 2.543 N/A THR 287.A OG1 ASN 284.A O no hydrogen 3.118 N/A THR 288.A N ASN 284.A O no hydrogen 3.039 N/A THR 288.A OG1 ASN 284.A O no hydrogen 2.921 N/A LEU 289.A N TYR 285.A O no hydrogen 3.232 N/A GLY 290.A N LEU 286.A O no hydrogen 2.858 N/A ASP 291.A N THR 287.A O no hydrogen 2.835 N/A LYS 292.A N THR 288.A O no hydrogen 2.752 N/A LEU 293.A N LEU 289.A O no hydrogen 2.950 N/A ASN 294.A N ASN 251.A OD1 no hydrogen 2.908 N/A ASN 294.A ND2 ASP 254.A OD2 no hydrogen 2.665 N/A ASN 294.A ND2 GLU 255.A OE2 no hydrogen 2.862 N/A ILE 297.A N ASN 294.A O no hydrogen 3.253 N/A GLN 298.A N LEU 267.A O no hydrogen 2.973 N/A MET 300.A N MET 269.A O no hydrogen 2.975 N/A TRP 301.A N TYR 327.A O no hydrogen 3.245 N/A THR 302.A N TYR 274.A O no hydrogen 2.836 N/A THR 302.A OG1 TYR 274.A O no hydrogen 3.402 N/A THR 302.A OG1 ARG 305.A O no hydrogen 3.058 N/A THR 302.A OG1 VAL 306.A O no hydrogen 3.201 N/A ASP 304.A N SER 308.A OG no hydrogen 3.029 N/A SER 308.A OG THR 302.A O no hydrogen 3.104 N/A SER 308.A OG ASP 309.A O no hydrogen 3.455 N/A ILE 310.A N ASN 350.A OD1 no hydrogen 2.776 N/A ARG 312.A NH2 THR 353.A OG1 no hydrogen 2.940 N/A GLY 314.A N THR 311.A OG1 no hydrogen 2.816 N/A ILE 315.A N THR 311.A O no hydrogen 2.972 N/A SER 316.A N ARG 312.A O no hydrogen 3.045 N/A SER 316.A OG ARG 312.A O no hydrogen 2.922 N/A TRP 317.A N ASP 313.A O no hydrogen 3.077 N/A ILE 318.A N GLY 314.A O no hydrogen 3.294 N/A ASN 319.A N ILE 315.A O no hydrogen 2.742 N/A ASN 319.A ND2 GLU 357.A O no hydrogen 2.657 N/A GLU 320.A N SER 316.A O no hydrogen 3.059 N/A ARG 321.A N ILE 318.A O no hydrogen 2.966 N/A ARG 321.A NH1 TRP 317.A O no hydrogen 2.958 N/A ILE 322.A N ILE 318.A O no hydrogen 3.115 N/A LYS 323.A N ASN 319.A O no hydrogen 3.008 N/A LYS 323.A NZ ASP 291.A OD1 no hydrogen 3.031 N/A ARG 324.A NE ILE 322.A O no hydrogen 2.786 N/A ARG 324.A NH1 LEU 293.A O no hydrogen 3.526 N/A ARG 324.A NH1 ASN 294.A O no hydrogen 2.781 N/A ARG 324.A NH1 ILE 297.A O no hydrogen 3.130 N/A ARG 324.A NH2 GLY 290.A O no hydrogen 2.892 N/A ARG 324.A NH2 LEU 293.A O no hydrogen 2.885 N/A ARG 324.A NH2 ILE 322.A O no hydrogen 3.539 N/A ALA 326.A N ASN 319.A OD1 no hydrogen 2.771 N/A TYR 327.A N ILE 299.A O no hydrogen 2.838 N/A TYR 327.A OH GLN 266.A OE1 no hydrogen 2.772 N/A ILE 328.A N GLY 360.A O no hydrogen 2.733 N/A TRP 329.A N TRP 301.A O no hydrogen 2.906 N/A TRP 329.A NE1 ASN 331.A OD1 no hydrogen 2.809 N/A TRP 330.A N VAL 362.A O no hydrogen 2.544 N/A TRP 330.A NE1 ASP 309.A OD1 no hydrogen 3.165 N/A ASN 331.A ND2 VAL 306.A O no hydrogen 2.984 N/A VAL 334.A N ASN 364.A O no hydrogen 2.832 N/A VAL 338.A N SER 335.A O no hydrogen 3.109 N/A ARG 339.A N GLN 543.A OE1 no hydrogen 2.788 N/A ARG 339.A NE ASP 336.A O no hydrogen 2.997 N/A HIS 341.A N VAL 338.A O no hydrogen 2.921 N/A LEU 344.A N ASN 417.A O no hydrogen 2.872 N/A ASP 351.A N ILE 310.A O no hydrogen 2.832 N/A THR 353.A N ASP 351.A OD1 no hydrogen 2.668 N/A THR 353.A OG1 ASP 351.A OD1 no hydrogen 2.596 N/A GLU 357.A N ILE 354.A O no hydrogen 2.851 N/A MET 358.A N ALA 355.A O no hydrogen 3.035 N/A SER 359.A N ALA 326.A O no hydrogen 2.806 N/A SER 359.A OG GLN 298.A OE1 no hydrogen 3.303 N/A SER 359.A OG PRO 325.A O no hydrogen 2.582 N/A PHE 361.A N TYR 121.A O no hydrogen 2.810 N/A VAL 362.A N ILE 328.A O no hydrogen 2.727 N/A THR 363.A N GLY 123.A O no hydrogen 2.885 N/A THR 363.A OG1 PHE 332.A O no hydrogen 2.684 N/A ASN 364.A N TRP 330.A O no hydrogen 2.837 N/A ASN 364.A ND2 ASN 331.A OD1 no hydrogen 2.864 N/A MET 366.A N SER 372.A OG no hydrogen 3.034 N/A GLU 370.A N GLU 486.A OE2 no hydrogen 2.690 N/A SER 371.A N GLU 486.A OE1 no hydrogen 2.925 N/A SER 371.A OG GLU 486.A OE1 no hydrogen 2.693 N/A SER 372.A N ALA 369.A O no hydrogen 3.257 N/A SER 372.A OG MET 366.A O no hydrogen 3.448 N/A SER 372.A OG HIS 368.A O no hydrogen 2.905 N/A LYS 373.A N GLU 370.A O no hydrogen 3.027 N/A LYS 373.A NZ SER 140.A OG no hydrogen 2.840 N/A LYS 373.A NZ GLU 370.A OE1 no hydrogen 2.584 N/A LYS 373.A NZ GLU 370.A OE2 no hydrogen 3.521 N/A ILE 376.A N SER 372.A O no hydrogen 2.895 N/A TYR 377.A N LYS 373.A O no hydrogen 2.885 N/A TYR 377.A OH THR 401.A OG1 no hydrogen 3.393 N/A SER 378.A N ILE 374.A O no hydrogen 3.385 N/A SER 378.A OG ILE 374.A O no hydrogen 3.016 N/A VAL 379.A N ALA 375.A O no hydrogen 2.771 N/A ALA 380.A N ILE 376.A O no hydrogen 2.858 N/A SER 381.A N TYR 377.A O no hydrogen 3.214 N/A SER 381.A OG GLN 3.A OE1 no hydrogen 2.592 N/A TYR 382.A N SER 378.A O no hydrogen 2.779 N/A TYR 382.A OH ASP 351.A O no hydrogen 2.594 N/A ALA 383.A N VAL 379.A O no hydrogen 2.853 N/A TRP 384.A N ALA 380.A O no hydrogen 3.166 N/A TRP 384.A NE1 ASP 115.A OD1 no hydrogen 2.620 N/A ASN 385.A N SER 381.A O no hydrogen 3.130 N/A ASN 385.A ND2 PRO 5.A O no hydrogen 2.592 N/A LYS 388.A N ASN 385.A OD1 no hydrogen 3.205 N/A TYR 389.A N PRO 386.A O no hydrogen 2.948 N/A TYR 389.A OH VAL 347.A O no hydrogen 2.533 N/A GLN 393.A N ASP 390.A OD1 no hydrogen 3.260 N/A THR 394.A N ASP 390.A O no hydrogen 2.961 N/A THR 394.A OG1 ASP 390.A O no hydrogen 2.663 N/A TRP 395.A N THR 391.A O no hydrogen 3.098 N/A TRP 395.A NE1 LEU 344.A O no hydrogen 2.975 N/A LYS 396.A N TRP 392.A O no hydrogen 3.041 N/A LYS 396.A NZ GLU 411.A OE1 no hydrogen 3.071 N/A ASP 397.A N GLN 393.A O no hydrogen 2.934 N/A ALA 398.A N THR 394.A O no hydrogen 2.712 N/A ILE 399.A N TRP 395.A O no hydrogen 3.081 N/A ARG 400.A N LYS 396.A O no hydrogen 2.994 N/A THR 401.A N ASP 397.A O no hydrogen 2.793 N/A THR 401.A OG1 TYR 377.A OH no hydrogen 3.393 N/A THR 401.A OG1 ASP 397.A O no hydrogen 2.737 N/A ILE 402.A N ALA 398.A O no hydrogen 2.797 N/A LEU 403.A N ILE 399.A O no hydrogen 2.795 N/A SER 405.A N GLU 479.A OE1 no hydrogen 2.719 N/A SER 405.A OG GLU 479.A OE1 no hydrogen 2.464 N/A ALA 406.A N LEU 403.A O no hydrogen 2.949 N/A GLU 409.A N GLU 409.A OE1 no hydrogen 2.782 N/A LEU 410.A N ALA 406.A O no hydrogen 3.033 N/A GLU 411.A N ALA 407.A O no hydrogen 2.743 N/A CYS 412.A N GLU 408.A O no hydrogen 2.790 N/A PHE 413.A N GLU 409.A O no hydrogen 3.012 N/A ALA 414.A N LEU 410.A O no hydrogen 2.650 N/A MET 415.A N GLU 411.A O no hydrogen 2.869 N/A HIS 416.A N PHE 413.A O no hydrogen 3.309 N/A HIS 416.A ND1 SER 432.A OG no hydrogen 2.901 N/A ASN 417.A N ALA 414.A O no hydrogen 3.104 N/A ASN 417.A ND2 THR 548.A OG1 no hydrogen 2.749 N/A SER 418.A N GLU 431.A OE1 no hydrogen 2.990 N/A SER 418.A OG.A ALA 414.A O no hydrogen 3.054 N/A SER 418.A OG.B GLU 430.A O no hydrogen 2.642 N/A ASP 419.A N GLU 431.A OE1 no hydrogen 3.003 N/A LEU 420.A N ASP 419.A OD1 no hydrogen 2.670 N/A ASN 423.A ND2 GLY 421.A O no hydrogen 3.065 N/A ASN 423.A ND2 TYR 427.A O no hydrogen 2.799 N/A HIS 425.A N ASN 423.A OD1 no hydrogen 2.922 N/A GLY 426.A N ASN 423.A O no hydrogen 3.086 N/A TYR 427.A N ASN 423.A OD1 no hydrogen 3.338 N/A TYR 427.A OH ASP 309.A OD1 no hydrogen 2.705 N/A ARG 428.A NE ASP 419.A OD1 no hydrogen 2.881 N/A ARG 428.A NE ASP 419.A OD2 no hydrogen 3.156 N/A ARG 428.A NH2 ASP 419.A OD2 no hydrogen 2.523 N/A ARG 429.A N ASP 419.A OD1 no hydrogen 3.170 N/A ARG 429.A NE ARG 428.A O no hydrogen 3.074 N/A ARG 429.A NH1 TYR 348.A O no hydrogen 2.895 N/A ARG 429.A NH2 ASP 309.A OD2 no hydrogen 2.806 N/A GLU 430.A N TYR 348.A OH no hydrogen 3.090 N/A SER 432.A N MET 415.A O no hydrogen 3.170 N/A SER 432.A OG HIS 416.A ND1 no hydrogen 2.901 N/A ILE 435.A N SER 432.A O no hydrogen 3.189 N/A GLN 436.A N MET 433.A O no hydrogen 3.331 N/A GLN 436.A NE2 GLU 440.A OE2 no hydrogen 3.057 N/A ALA 439.A N ILE 435.A O no hydrogen 2.948 N/A GLU 440.A N GLN 436.A O no hydrogen 2.868 N/A ARG 441.A N PRO 437.A O no hydrogen 2.906 N/A ARG 441.A NE ASP 456.A OD2 no hydrogen 3.033 N/A ARG 441.A NH2 ASP 456.A OD1 no hydrogen 3.184 N/A ARG 441.A NH2 ASP 456.A OD2 no hydrogen 3.379 N/A PHE 442.A N ALA 438.A O no hydrogen 2.955 N/A LEU 443.A N ALA 439.A O no hydrogen 3.093 N/A LYS 444.A N ARG 441.A O no hydrogen 2.858 N/A ALA 445.A N ARG 441.A O no hydrogen 3.014 N/A PHE 446.A N PHE 442.A O no hydrogen 3.131 N/A LYS 447.A N LEU 443.A O no hydrogen 3.435 N/A GLU 448.A N LYS 444.A O no hydrogen 3.241 N/A GLY 449.A N PHE 446.A O no hydrogen 3.232 N/A LYS 450.A N ALA 445.A O no hydrogen 3.043 N/A LYS 450.A NZ GLU 448.A OE2 no hydrogen 3.458 N/A LYS 454.A NZ GLU 458.A OE2 no hydrogen 3.526 N/A ALA 455.A N ASP 453.A OD1 no hydrogen 3.058 N/A ASP 456.A N ASP 453.A O no hydrogen 3.189 N/A PHE 457.A N ASP 453.A O no hydrogen 3.304 N/A GLU 458.A N LYS 454.A O no hydrogen 2.968 N/A THR 459.A N ALA 455.A O no hydrogen 3.055 N/A THR 459.A OG1 ALA 455.A O no hydrogen 2.774 N/A LEU 460.A N ASP 456.A O no hydrogen 3.253 N/A GLN 461.A N PHE 457.A O no hydrogen 2.949 N/A TYR 462.A N GLU 458.A O no hydrogen 2.685 N/A THR 463.A N THR 459.A O no hydrogen 3.007 N/A THR 463.A OG1 THR 459.A O no hydrogen 2.939 N/A PHE 464.A N LEU 460.A O no hydrogen 3.156 N/A GLU 465.A N GLN 461.A O no hydrogen 3.101 N/A ARG 466.A N TYR 462.A O no hydrogen 2.932 N/A ARG 466.A NH1 GLU 469.A OE1 no hydrogen 3.172 N/A MET 467.A N THR 463.A O no hydrogen 2.840 N/A LYS 468.A N PHE 464.A O no hydrogen 3.096 N/A LYS 468.A NZ GLU 502.A OE1 no hydrogen 2.704 N/A LYS 468.A NZ GLU 502.A OE2 no hydrogen 3.170 N/A GLU 469.A N GLU 465.A O no hydrogen 3.192 N/A SER 470.A N ARG 466.A O no hydrogen 2.933 N/A SER 470.A OG ARG 466.A O no hydrogen 2.871 N/A ALA 471.A N MET 467.A O no hydrogen 2.876 N/A ASP 472.A N LYS 468.A O no hydrogen 3.034 N/A ILE 473.A N GLU 469.A O no hydrogen 2.980 N/A LEU 474.A N SER 470.A O no hydrogen 2.840 N/A LEU 475.A N ALA 471.A O no hydrogen 2.998 N/A MET 476.A N ILE 473.A O no hydrogen 3.258 N/A ASN 477.A N LEU 474.A O no hydrogen 3.046 N/A ASN 477.A ND2 SER 405.A OG no hydrogen 2.906 N/A GLU 479.A N ASN 477.A OD1 no hydrogen 2.853 N/A ASN 480.A N ASN 477.A OD1 no hydrogen 3.372 N/A ASN 480.A ND2 GLU 370.A OE1 no hydrogen 3.450 N/A LEU 483.A N ASN 480.A OD1 no hydrogen 3.246 N/A ILE 484.A N ASN 480.A O no hydrogen 3.212 N/A VAL 485.A N LYS 481.A O no hydrogen 2.943 N/A GLU 486.A N PRO 482.A O no hydrogen 3.094 N/A ILE 487.A N LEU 483.A O no hydrogen 2.998 N/A THR 488.A OG1 ILE 484.A O no hydrogen 2.629 N/A TRP 490.A NE1 ASP 340.A O no hydrogen 2.890 N/A VAL 491.A N ILE 487.A O no hydrogen 2.868 N/A HIS 492.A N THR 488.A O no hydrogen 3.024 N/A GLN 493.A N PRO 489.A O no hydrogen 3.188 N/A GLN 493.A NE2 MET 530.A O no hydrogen 2.946 N/A GLN 493.A NE2 VAL 546.A O no hydrogen 3.303 N/A PHE 494.A N TRP 490.A O no hydrogen 2.862 N/A LYS 495.A N VAL 491.A O no hydrogen 2.776 N/A LYS 495.A NZ ASP 472.A OD1 no hydrogen 2.757 N/A LYS 495.A NZ ASP 472.A OD2 no hydrogen 2.724 N/A LEU 496.A N HIS 492.A O no hydrogen 2.934 N/A THR 497.A N GLN 493.A O no hydrogen 2.955 N/A THR 497.A OG1 GLN 493.A O no hydrogen 2.804 N/A ALA 498.A N PHE 494.A O no hydrogen 3.036 N/A GLU 499.A N LYS 495.A O no hydrogen 2.975 N/A MET 500.A N LEU 496.A O no hydrogen 2.808 N/A GLY 501.A N THR 497.A O no hydrogen 2.993 N/A GLU 502.A N ALA 498.A O no hydrogen 3.052 N/A GLU 503.A N GLU 499.A O no hydrogen 3.100 N/A GLU 503.A N MET 500.A O no hydrogen 3.113 N/A VAL 504.A N MET 500.A O no hydrogen 2.835 N/A LEU 505.A N GLY 501.A O no hydrogen 2.903 N/A LYS 506.A N GLU 502.A O no hydrogen 3.068 N/A MET 507.A N GLU 503.A O no hydrogen 2.906 N/A VAL 508.A N VAL 504.A O no hydrogen 3.125 N/A GLU 509.A N LEU 505.A O no hydrogen 3.140 N/A GLY 510.A N LYS 506.A O no hydrogen 2.852 N/A SER 514.A OG ASN 512.A OD1 no hydrogen 3.389 N/A TYR 515.A N ASN 512.A OD1 no hydrogen 2.941 N/A PHE 516.A N ASN 512.A O no hydrogen 2.986 N/A LEU 517.A N GLU 513.A O no hydrogen 3.027 N/A ARG 518.A N SER 514.A O no hydrogen 2.887 N/A LYS 519.A N TYR 515.A O no hydrogen 2.876 N/A LYS 519.A NZ GLU 503.A OE1 no hydrogen 2.872 N/A TYR 520.A N PHE 516.A O no hydrogen 2.848 N/A TYR 520.A OH ASP 577.A O no hydrogen 2.977 N/A ASN 521.A N LEU 517.A O no hydrogen 3.031 N/A HIS 522.A N ARG 518.A O no hydrogen 3.073 N/A HIS 522.A ND1 GLU 503.A OE1 no hydrogen 2.673 N/A VAL 523.A N LYS 519.A O no hydrogen 2.973 N/A LYS 524.A N TYR 520.A O no hydrogen 3.123 N/A LYS 524.A NZ GLN 527.A OE1 no hydrogen 3.476 N/A ALA 525.A N ASN 521.A O no hydrogen 3.068 N/A LEU 526.A N HIS 522.A O no hydrogen 2.933 N/A GLN 527.A N VAL 523.A O no hydrogen 2.808 N/A GLN 528.A N LYS 524.A O no hydrogen 3.109 N/A GLN 529.A N ALA 525.A O no hydrogen 2.949 N/A MET 530.A N LEU 526.A O no hydrogen 2.940 N/A PHE 531.A N GLN 527.A O no hydrogen 2.992 N/A TYR 532.A N GLN 528.A O no hydrogen 2.969 N/A ILE 533.A N GLN 529.A O no hydrogen 3.009 N/A ASP 534.A N MET 530.A O no hydrogen 2.868 N/A GLN 535.A N TYR 532.A O no hydrogen 3.130 N/A THR 536.A N ILE 533.A O no hydrogen 3.175 N/A THR 536.A OG1 TYR 532.A O no hydrogen 2.733 N/A SER 537.A N ILE 533.A O no hydrogen 3.018 N/A ASN 538.A ND2 ARG 339.A O no hydrogen 2.861 N/A ASN 538.A ND2 GLY 545.A O no hydrogen 2.889 N/A GLN 539.A NE2 ASP 534.A O no hydrogen 3.044 N/A GLN 539.A NE2 SER 537.A O no hydrogen 2.692 N/A ASN 540.A N ASN 538.A O no hydrogen 2.853 N/A ASN 540.A ND2 ASN 538.A O no hydrogen 3.202 N/A ASN 540.A ND2 ASN 538.A OD1 no hydrogen 3.233 N/A ASN 540.A ND2 GLN 543.A O no hydrogen 3.075 N/A TYR 542.A N ASN 540.A OD1 no hydrogen 2.906 N/A GLN 543.A N ASN 540.A OD1 no hydrogen 2.912 N/A GLY 545.A N ASN 538.A O no hydrogen 2.822 N/A VAL 546.A N ASP 534.A OD1 no hydrogen 2.763 N/A LYS 547.A N ASP 340.A O no hydrogen 2.823 N/A LYS 547.A NZ ASP 340.A OD2 no hydrogen 3.049 N/A LYS 547.A NZ ASP 534.A OD1 no hydrogen 2.780 N/A LYS 547.A NZ ASP 534.A OD2 no hydrogen 3.432 N/A ARG 551.A N GLU 431.A OE2 no hydrogen 2.649 N/A ARG 551.A NH1 ASP 419.A OD2 no hydrogen 3.180 N/A LYS 554.A N ALA 549.A O no hydrogen 2.883 N/A LYS 554.A NZ ASP 558.A OD1 no hydrogen 3.159 N/A LYS 554.A NZ ASP 558.A OD2 no hydrogen 3.100 N/A LYS 554.A NZ ASP 581.A OD1 no hydrogen 3.336 N/A LEU 556.A N VAL 552.A O no hydrogen 3.036 N/A ILE 557.A N ILE 553.A O no hydrogen 3.057 N/A ASP 558.A N LYS 554.A O no hydrogen 2.837 N/A ARG 559.A N PRO 555.A O no hydrogen 2.851 N/A THR 560.A N LEU 556.A O no hydrogen 2.832 N/A THR 560.A OG1 LEU 556.A O no hydrogen 2.690 N/A PHE 561.A N ILE 557.A O no hydrogen 2.877 N/A ALA 562.A N ASP 558.A O no hydrogen 2.912 N/A THR 563.A N ARG 559.A O no hydrogen 3.104 N/A THR 563.A OG1 ARG 559.A O no hydrogen 2.936 N/A VAL 564.A N THR 560.A O no hydrogen 2.943 N/A VAL 565.A N PHE 561.A O no hydrogen 3.168 N/A LYS 566.A N ALA 562.A O no hydrogen 3.192 N/A PHE 567.A N THR 563.A O no hydrogen 2.997 N/A PHE 568.A N VAL 564.A O no hydrogen 2.894 N/A ASN 569.A N VAL 565.A O no hydrogen 2.853 N/A ASN 569.A ND2 LEU 576.A O no hydrogen 2.891 N/A GLN 570.A N LYS 566.A O no hydrogen 3.128 N/A LYS 571.A N PHE 567.A O no hydrogen 2.863 N/A PHE 572.A N PHE 568.A O no hydrogen 2.869 N/A ASN 573.A N GLN 570.A O no hydrogen 3.356 N/A ALA 574.A N ASN 569.A O no hydrogen 2.942 N/A LEU 576.A N ASN 569.A OD1 no hydrogen 2.899 N/A THR 579.A N ASP 577.A OD1 no hydrogen 2.961 N/A THR 579.A OG1 ASP 577.A OD1 no hydrogen 3.241 N/A THR 579.A OG1 ASP 577.A OD2 no hydrogen 3.215 N/A HIS 585.A NE2 ASP 606.A OD1 no hydrogen 3.098 N/A LYS 586.A N GLU 604.A O no hydrogen 2.786 N/A GLN 590.A N LEU 597.A O no hydrogen 2.630 N/A GLN 590.A NE2 SER 599.A OG no hydrogen 2.830 N/A LYS 592.A N ARG 595.A O no hydrogen 3.103 N/A ASN 594.A ND2 ILE 635.A O no hydrogen 2.731 N/A ARG 595.A N LYS 592.A O no hydrogen 2.592 N/A VAL 596.A N LEU 633.A O no hydrogen 2.773 N/A LEU 597.A N GLN 590.A O no hydrogen 2.850 N/A ILE 598.A N PHE 631.A O no hydrogen 3.403 N/A SER 599.A N PRO 588.A O no hydrogen 3.187 N/A SER 599.A OG PRO 588.A O no hydrogen 2.708 N/A ILE 603.A N VAL 628.A O no hydrogen 2.761 N/A GLU 604.A N LYS 586.A O no hydrogen 3.000 N/A LEU 605.A N LYS 626.A O no hydrogen 2.965 N/A TYR 609.A N VAL 625.A O no hydrogen 2.765 N/A TYR 609.A OH ASP 606.A OD1 no hydrogen 2.707 N/A GLY 611.A N ALA 623.A O no hydrogen 2.787 N/A GLU 612.A N THR 634.A O no hydrogen 2.714 N/A ASN 613.A N THR 634.A O no hydrogen 3.352 N/A ASN 613.A ND2 GLN 615.A OE1 no hydrogen 2.991 N/A ILE 614.A N ALA 618.A O no hydrogen 3.256 N/A GLN 615.A N VAL 632.A O no hydrogen 2.875 N/A GLN 615.A NE2 GLN 630.A OE1 no hydrogen 3.629 N/A LEU 620.A N GLU 612.A O no hydrogen 2.753 N/A LYS 622.A NZ GLU 612.A OE2 no hydrogen 2.814 N/A LYS 622.A NZ GLU 636.A OE1 no hydrogen 3.222 N/A ALA 623.A N LEU 620.A O no hydrogen 2.989 N/A VAL 625.A N TYR 609.A O no hydrogen 2.631 N/A VAL 628.A N ILE 603.A O no hydrogen 2.993 N/A GLN 630.A NE2 ILE 616.A O no hydrogen 3.150 N/A VAL 632.A N GLN 615.A O no hydrogen 2.960 N/A LEU 633.A N VAL 596.A O no hydrogen 2.999 N/A THR 634.A N ASN 613.A O no hydrogen 2.897 N/A ILE 635.A N ASN 594.A O no hydrogen 3.063 N/A GLU 636.A N PRO 610.A O no hydrogen 2.990 N/A LYS 637.A NZ ALA 593.A O no hydrogen 2.922 N/A