Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4tf4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A ND2 THR 447.A O no hydrogen 2.778 N/A TYR 6.A OH ASN 351.A OD1 no hydrogen 2.691 N/A GLU 8.A N ASN 5.A OD1 no hydrogen 3.071 N/A ALA 9.A N ASN 5.A O no hydrogen 3.215 N/A LEU 10.A N TYR 6.A O no hydrogen 2.897 N/A GLN 11.A N ALA 7.A O no hydrogen 2.976 N/A GLN 11.A NE2 LEU 449.A O no hydrogen 3.195 N/A LYS 12.A N GLU 8.A O no hydrogen 2.917 N/A LYS 12.A NZ GLU 8.A OE2 no hydrogen 3.085 N/A LYS 12.A NZ GLY 366.A O no hydrogen 2.616 N/A SER 13.A N ALA 9.A O no hydrogen 2.869 N/A SER 13.A OG SER 434.A OG no hydrogen 2.577 N/A MET 14.A N LEU 10.A O no hydrogen 3.116 N/A PHE 16.A N LYS 12.A O no hydrogen 2.962 N/A TYR 17.A N SER 13.A O no hydrogen 3.252 N/A TYR 17.A OH THR 427.A O no hydrogen 2.574 N/A GLU 18.A N MET 14.A O no hydrogen 3.217 N/A ALA 19.A N PHE 15.A O no hydrogen 2.987 N/A GLN 20.A N PHE 16.A O no hydrogen 3.100 N/A GLN 20.A N TYR 17.A O no hydrogen 3.304 N/A GLN 20.A NE2 TYR 54.A O no hydrogen 2.830 N/A GLN 20.A NE2 ALA 56.A O no hydrogen 3.092 N/A ARG 21.A N GLU 18.A O no hydrogen 3.303 N/A ARG 21.A NH2 ASP 95.A OD2 no hydrogen 3.045 N/A SER 22.A N GLY 52.A O no hydrogen 3.097 N/A SER 22.A OG TYR 54.A OH no hydrogen 2.788 N/A GLY 23.A N SER 37.A O no hydrogen 2.911 N/A LEU 25.A N ASP 36.A OD1 no hydrogen 2.768 N/A ASN 29.A N PRO 26.A O no hydrogen 3.357 N/A ASN 29.A ND2 VAL 31.A O no hydrogen 2.743 N/A ARG 30.A N GLU 18.A OE2 no hydrogen 3.059 N/A ARG 30.A NE GLU 18.A OE1 no hydrogen 2.918 N/A ARG 30.A NH2 GLU 18.A OE1 no hydrogen 3.236 N/A VAL 31.A N ASN 29.A OD1 no hydrogen 3.006 N/A ARG 34.A N VAL 31.A O no hydrogen 3.073 N/A ARG 34.A NE GLU 132.A OE2 no hydrogen 2.877 N/A ARG 34.A NH1 ALA 19.A O no hydrogen 2.735 N/A ARG 34.A NH1 ARG 21.A O no hydrogen 2.697 N/A ARG 34.A NH2 ARG 21.A O no hydrogen 3.192 N/A GLY 35.A N GLU 132.A OE2 no hydrogen 2.878 N/A SER 37.A N GLY 23.A O no hydrogen 3.432 N/A SER 37.A OG TYR 54.A OH no hydrogen 2.870 N/A ASP 41.A N GLY 38.A O no hydrogen 3.407 N/A ALA 43.A N ASN 40.A O no hydrogen 3.166 N/A VAL 45.A N GLY 42.A O no hydrogen 2.879 N/A GLY 46.A N ALA 43.A O no hydrogen 2.785 N/A LEU 47.A N GLY 42.A O no hydrogen 2.972 N/A LEU 49.A N ASP 41.A O no hydrogen 2.908 N/A THR 50.A N ASP 48.A OD1 no hydrogen 3.079 N/A THR 50.A OG1 ASP 48.A OD1 no hydrogen 2.633 N/A TYR 54.A N GLN 20.A O no hydrogen 2.761 N/A TYR 54.A OH SER 37.A OG no hydrogen 2.870 N/A ALA 56.A N ASP 58.A OD1 no hydrogen 3.242 N/A GLY 57.A N GLU 424.A OE2 no hydrogen 3.169 N/A HIS 59.A N ASP 124.A OD2 no hydrogen 2.921 N/A HIS 59.A NE2 THR 379.A OG1 no hydrogen 3.283 N/A LYS 61.A N VAL 118.A O no hydrogen 3.104 N/A LYS 61.A NZ ASP 41.A OD2 no hydrogen 2.872 N/A LYS 61.A NZ LEU 49.A O no hydrogen 2.749 N/A LYS 61.A NZ GLY 51.A O no hydrogen 2.824 N/A GLY 63.A N VAL 116.A O no hydrogen 2.737 N/A MET 66.A N PHE 62.A O no hydrogen 3.267 N/A ALA 67.A N GLY 63.A O no hydrogen 2.975 N/A PHE 68.A N PHE 64.A O no hydrogen 3.148 N/A THR 69.A N PRO 65.A O no hydrogen 2.955 N/A THR 69.A OG1 PRO 65.A O no hydrogen 2.782 N/A THR 69.A OG1 THR 427.A OG1 no hydrogen 3.379 N/A ALA 70.A N MET 66.A O no hydrogen 3.300 N/A THR 71.A N ALA 67.A O no hydrogen 3.055 N/A THR 71.A OG1 ALA 67.A O no hydrogen 3.226 N/A THR 71.A OG1 GLU 155.A OE2 no hydrogen 2.955 N/A MET 72.A N PHE 68.A O no hydrogen 2.956 N/A LEU 73.A N THR 69.A O no hydrogen 2.861 N/A ALA 74.A N ALA 70.A O no hydrogen 2.913 N/A TRP 75.A N THR 71.A O no hydrogen 2.790 N/A TRP 75.A NE1 GLU 79.A OE2 no hydrogen 3.247 N/A GLY 76.A N MET 72.A O no hydrogen 3.051 N/A ALA 77.A N LEU 73.A O no hydrogen 3.322 N/A ILE 78.A N ALA 74.A O no hydrogen 2.951 N/A ILE 78.A N TRP 75.A O no hydrogen 2.879 N/A GLU 79.A N TRP 75.A O no hydrogen 2.874 N/A SER 80.A N GLY 76.A O no hydrogen 2.884 N/A SER 80.A OG ALA 438.A O no hydrogen 3.048 N/A SER 80.A OG GLU 442.A OE1 no hydrogen 3.077 N/A GLY 83.A N SER 80.A O no hydrogen 3.152 N/A GLY 83.A N SER 80.A OG no hydrogen 3.054 N/A ILE 85.A N PRO 81.A O no hydrogen 2.965 N/A ARG 86.A N GLU 82.A O no hydrogen 2.800 N/A SER 87.A N GLY 83.A O no hydrogen 3.233 N/A SER 87.A OG GLY 83.A O no hydrogen 2.851 N/A GLY 88.A N ILE 85.A O no hydrogen 2.893 N/A GLN 89.A N TYR 84.A O no hydrogen 2.833 N/A GLN 89.A NE2 SER 87.A O no hydrogen 2.934 N/A MET 90.A N TYR 84.A O no hydrogen 2.794 N/A LEU 93.A N GLN 89.A O no hydrogen 2.934 N/A LYS 94.A N MET 90.A O no hydrogen 3.109 N/A LYS 94.A NZ ASP 170.A OD1 no hydrogen 3.418 N/A LYS 94.A NZ ASP 170.A OD2 no hydrogen 2.879 N/A ASP 95.A N PRO 91.A O no hydrogen 3.023 N/A ASN 96.A N TYR 92.A O no hydrogen 2.796 N/A ASN 96.A ND2 MET 14.A O no hydrogen 3.336 N/A LEU 97.A N LEU 93.A O no hydrogen 2.852 N/A ARG 98.A N LYS 94.A O no hydrogen 2.830 N/A ARG 98.A NH1 ASP 171.A OD2 no hydrogen 3.489 N/A ARG 98.A NH2 ASP 171.A OD2 no hydrogen 3.113 N/A TRP 99.A N ASP 95.A O no hydrogen 3.051 N/A TRP 99.A NE1 GLY 52.A O no hydrogen 2.921 N/A VAL 100.A N ASN 96.A O no hydrogen 3.195 N/A ASN 101.A N LEU 97.A O no hydrogen 2.982 N/A ASN 101.A ND2 LEU 97.A O no hydrogen 2.847 N/A ASN 101.A ND2 SER 163.A OG no hydrogen 3.122 N/A ASP 102.A N ARG 98.A O no hydrogen 2.921 N/A TYR 103.A N TRP 99.A O no hydrogen 3.402 N/A PHE 104.A N VAL 100.A O no hydrogen 3.135 N/A ILE 105.A N ASN 101.A O no hydrogen 3.167 N/A ILE 105.A N ASP 102.A O no hydrogen 3.123 N/A LYS 106.A N ASP 102.A O no hydrogen 3.040 N/A LYS 106.A NZ ASP 48.A OD2 no hydrogen 3.340 N/A LYS 106.A NZ THR 50.A O no hydrogen 2.869 N/A LYS 106.A NZ THR 50.A OG1 no hydrogen 2.974 N/A ALA 107.A N TYR 103.A O no hydrogen 2.804 N/A HIS 108.A N ILE 105.A O no hydrogen 3.075 N/A HIS 108.A ND1 HIS 181.A ND1 no hydrogen 2.992 N/A HIS 108.A NE2 PRO 111.A O no hydrogen 2.726 N/A VAL 113.A N SER 110.A O no hydrogen 3.151 N/A LEU 114.A N VAL 143.A O no hydrogen 3.057 N/A TYR 115.A N ALA 107.A O no hydrogen 2.865 N/A VAL 116.A N PHE 141.A O no hydrogen 3.110 N/A GLN 117.A N PHE 141.A O no hydrogen 3.394 N/A GLN 117.A NE2 GLY 119.A O no hydrogen 2.890 N/A VAL 118.A N LYS 61.A O no hydrogen 3.409 N/A GLY 119.A N PRO 139.A O no hydrogen 2.798 N/A ALA 123.A N ASP 120.A OD2 no hydrogen 3.278 N/A ASP 124.A N ASP 120.A O no hydrogen 2.947 N/A HIS 125.A N GLY 121.A O no hydrogen 3.066 N/A HIS 125.A NE2 ASP 58.A OD2 no hydrogen 2.827 N/A LYS 126.A N ASP 122.A O no hydrogen 3.046 N/A LYS 126.A N ALA 123.A O no hydrogen 3.161 N/A TRP 127.A NE1 GLY 551.A O no hydrogen 2.951 N/A TRP 128.A N ASP 386.A OD1 no hydrogen 2.847 N/A TRP 128.A NE1 HIS 381.A ND1 no hydrogen 3.019 N/A ALA 131.A N THR 379.A OG1 no hydrogen 3.074 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.733 N/A VAL 133.A N PRO 130.A O no hydrogen 3.316 N/A MET 134.A N ALA 131.A O no hydrogen 3.276 N/A ARG 138.A NE ASP 41.A OD1 no hydrogen 2.900 N/A ARG 138.A NH1 HIS 59.A O no hydrogen 3.106 N/A ARG 138.A NH2 ASP 41.A OD2 no hydrogen 3.298 N/A ARG 138.A NH2 HIS 59.A O no hydrogen 3.403 N/A SER 140.A N ASP 44.A OD2 no hydrogen 2.811 N/A SER 140.A OG ASP 44.A OD1 no hydrogen 2.687 N/A SER 140.A OG ASP 44.A OD2 no hydrogen 3.538 N/A PHE 141.A N GLN 117.A O no hydrogen 2.735 N/A VAL 143.A N LEU 114.A O no hydrogen 3.015 N/A ASP 144.A N CYS 147.A O no hydrogen 3.296 N/A CYS 147.A N ASP 144.A O no hydrogen 2.956 N/A SER 150.A N GLY 194.A O no hydrogen 2.993 N/A SER 150.A OG ALA 189.A O no hydrogen 2.907 N/A SER 150.A OG TYR 192.A O no hydrogen 2.976 N/A VAL 152.A N ASP 151.A OD1 no hydrogen 2.845 N/A ALA 153.A N GLY 149.A O no hydrogen 2.957 N/A ALA 154.A N SER 150.A O no hydrogen 2.962 N/A GLU 155.A N ASP 151.A O no hydrogen 2.938 N/A THR 156.A N VAL 152.A O no hydrogen 2.936 N/A THR 156.A OG1 VAL 152.A O no hydrogen 2.858 N/A ALA 157.A N ALA 153.A O no hydrogen 2.976 N/A ALA 158.A N ALA 154.A O no hydrogen 2.924 N/A ALA 159.A N GLU 155.A O no hydrogen 2.769 N/A MET 160.A N THR 156.A O no hydrogen 3.008 N/A ALA 161.A N ALA 157.A O no hydrogen 2.862 N/A ALA 162.A N ALA 158.A O no hydrogen 2.833 N/A SER 163.A N ALA 159.A O no hydrogen 3.139 N/A SER 163.A OG ALA 159.A O no hydrogen 2.789 N/A SER 164.A N MET 160.A O no hydrogen 3.066 N/A SER 164.A OG ALA 161.A O no hydrogen 2.473 N/A PHE 167.A N SER 163.A O no hydrogen 2.998 N/A ALA 168.A N SER 164.A O no hydrogen 2.729 N/A ASP 171.A N PHE 167.A O no hydrogen 2.732 N/A TYR 174.A N ASP 171.A OD1 no hydrogen 3.178 N/A TYR 174.A OH ASP 102.A OD1 no hydrogen 2.747 N/A ALA 175.A N ASP 171.A O no hydrogen 2.915 N/A ALA 176.A N PRO 172.A O no hydrogen 2.945 N/A THR 177.A N ALA 173.A O no hydrogen 3.063 N/A THR 177.A OG1 ALA 173.A O no hydrogen 3.038 N/A LEU 178.A N TYR 174.A O no hydrogen 3.003 N/A VAL 179.A N ALA 175.A O no hydrogen 3.013 N/A GLN 180.A N ALA 176.A O no hydrogen 2.884 N/A HIS 181.A N THR 177.A O no hydrogen 3.097 N/A HIS 181.A ND1 HIS 108.A ND1 no hydrogen 2.992 N/A ALA 182.A N LEU 178.A O no hydrogen 2.831 N/A LYS 183.A N VAL 179.A O no hydrogen 3.040 N/A GLN 184.A N GLN 180.A O no hydrogen 3.443 N/A LEU 185.A N HIS 181.A O no hydrogen 2.985 N/A TYR 186.A N ALA 182.A O no hydrogen 2.937 N/A TYR 186.A OH LEU 216.A O no hydrogen 2.763 N/A THR 187.A N LYS 183.A O no hydrogen 2.911 N/A THR 187.A OG1 LYS 183.A O no hydrogen 2.952 N/A PHE 188.A N GLN 184.A O no hydrogen 2.831 N/A ALA 189.A N LEU 185.A O no hydrogen 2.947 N/A ASP 190.A N TYR 186.A O no hydrogen 2.856 N/A THR 191.A N THR 187.A O no hydrogen 2.802 N/A THR 191.A OG1 THR 187.A O no hydrogen 2.869 N/A TYR 192.A N PHE 188.A O no hydrogen 3.011 N/A ARG 193.A NE ASP 190.A O no hydrogen 2.747 N/A ARG 193.A NH2 ASP 190.A OD1 no hydrogen 2.937 N/A GLY 194.A N SER 150.A OG no hydrogen 3.153 N/A TYR 196.A N ASP 151.A OD1 no hydrogen 3.220 N/A TYR 196.A OH TYR 206.A O no hydrogen 2.550 N/A SER 197.A OG ASN 207.A OD1 no hydrogen 3.133 N/A ASP 198.A N VAL 195.A O no hydrogen 2.972 N/A CYS 199.A N TYR 196.A O no hydrogen 2.989 N/A CYS 199.A SG PRO 148.A O no hydrogen 3.445 N/A VAL 200.A N TYR 196.A O no hydrogen 2.989 N/A ALA 202.A N VAL 200.A O no hydrogen 2.796 N/A PHE 205.A N ALA 202.A O no hydrogen 2.825 N/A TYR 206.A N ALA 202.A O no hydrogen 2.795 N/A TYR 206.A OH ASP 55.A OD2 no hydrogen 2.535 N/A SER 208.A N SER 197.A OG no hydrogen 3.176 N/A SER 208.A OG ASP 151.A OD2 no hydrogen 2.599 N/A TRP 209.A N ASN 207.A O no hydrogen 2.884 N/A SER 210.A OG ASP 214.A OD1 no hydrogen 2.949 N/A SER 210.A OG ASP 261.A O no hydrogen 3.015 N/A SER 210.A OG ASP 261.A OD2 no hydrogen 3.040 N/A GLN 213.A NE2 GLU 239.A O no hydrogen 2.904 N/A GLN 213.A NE2 GLU 239.A OE1 no hydrogen 3.087 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.987 N/A LEU 216.A N TYR 212.A O no hydrogen 3.032 N/A LEU 216.A N GLN 213.A O no hydrogen 3.206 N/A VAL 217.A N GLN 213.A O no hydrogen 3.402 N/A TRP 218.A N ASP 214.A O no hydrogen 2.968 N/A TRP 218.A NE1 GLU 155.A OE2 no hydrogen 3.044 N/A GLY 219.A N GLU 215.A O no hydrogen 2.701 N/A ALA 220.A N LEU 216.A O no hydrogen 3.198 N/A TYR 221.A N VAL 217.A O no hydrogen 3.017 N/A TRP 222.A N TRP 218.A O no hydrogen 3.205 N/A LEU 223.A N GLY 219.A O no hydrogen 2.979 N/A TYR 224.A N ALA 220.A O no hydrogen 2.937 N/A LYS 225.A N TYR 221.A O no hydrogen 3.127 N/A ALA 226.A N TRP 222.A O no hydrogen 3.046 N/A THR 227.A N LEU 223.A O no hydrogen 2.832 N/A THR 227.A OG1 LEU 223.A O no hydrogen 2.601 N/A THR 227.A OG1 TYR 224.A O no hydrogen 3.523 N/A GLY 228.A N TYR 224.A O no hydrogen 2.540 N/A ASP 229.A N THR 227.A OG1 no hydrogen 3.086 N/A SER 231.A N ASP 229.A OD1 no hydrogen 3.245 N/A SER 231.A OG ASP 229.A OD1 no hydrogen 2.656 N/A TYR 232.A N ASP 229.A O no hydrogen 2.997 N/A ALA 234.A N ASP 230.A O no hydrogen 3.112 N/A LYS 235.A N SER 231.A O no hydrogen 2.827 N/A LYS 235.A NZ ASP 190.A OD1 no hydrogen 2.969 N/A LYS 235.A NZ GLU 239.A OE2 no hydrogen 2.644 N/A ALA 236.A N TYR 232.A O no hydrogen 2.973 N/A GLU 237.A N LEU 233.A O no hydrogen 2.970 N/A TYR 238.A N ALA 234.A O no hydrogen 3.007 N/A GLU 239.A N LYS 235.A O no hydrogen 2.989 N/A TYR 240.A N ALA 236.A O no hydrogen 2.896 N/A TYR 240.A OH ASP 283.A OD2 no hydrogen 2.528 N/A ASP 241.A N TYR 238.A O no hydrogen 3.256 N/A PHE 242.A N GLU 239.A O no hydrogen 2.945 N/A LEU 243.A N TYR 240.A O no hydrogen 3.339 N/A GLU 246.A N LEU 251.A O no hydrogen 2.772 N/A THR 249.A OG1 GLU 246.A O no hydrogen 3.243 N/A ARG 252.A NE ASP 283.A OD2 no hydrogen 2.878 N/A SER 253.A N SER 244.A O no hydrogen 2.995 N/A SER 253.A OG SER 244.A O no hydrogen 3.151 N/A SER 253.A OG THR 245.A O no hydrogen 3.441 N/A TYR 254.A N GLU 246.A OE1 no hydrogen 3.172 N/A ARG 255.A NH2 GLN 298.A OE1 no hydrogen 2.734 N/A TRP 256.A N TYR 265.A OH no hydrogen 3.195 N/A THR 257.A OG1 THR 322.A OG1 no hydrogen 2.806 N/A ALA 259.A N ASP 262.A O no hydrogen 3.391 N/A LYS 263.A N ASP 214.A OD2 no hydrogen 2.989 N/A LYS 263.A NZ GLU 155.A OE1 no hydrogen 2.806 N/A LYS 263.A NZ GLU 215.A OE2 no hydrogen 2.668 N/A LYS 263.A NZ TRP 260.A O no hydrogen 2.676 N/A SER 264.A N ASP 262.A OD1 no hydrogen 3.098 N/A SER 264.A OG ASP 262.A OD1 no hydrogen 2.563 N/A THR 267.A N LYS 263.A O no hydrogen 3.184 N/A THR 267.A OG1 SER 264.A O no hydrogen 2.530 N/A TYR 268.A N SER 264.A O no hydrogen 3.153 N/A TYR 268.A OH SER 253.A O no hydrogen 2.739 N/A LEU 270.A N GLY 266.A O no hydrogen 2.876 N/A LEU 271.A N THR 267.A O no hydrogen 2.878 N/A ALA 272.A N TYR 268.A O no hydrogen 3.231 N/A LYS 273.A N VAL 269.A O no hydrogen 2.830 N/A GLU 274.A N LEU 270.A O no hydrogen 2.906 N/A THR 275.A N LEU 271.A O no hydrogen 2.768 N/A THR 275.A OG1 LEU 271.A O no hydrogen 2.788 N/A LYS 277.A N THR 275.A OG1 no hydrogen 3.107 N/A LYS 277.A NZ GLU 237.A OE1 no hydrogen 2.970 N/A LYS 279.A NZ ASP 241.A OD1 no hydrogen 2.731 N/A LYS 279.A NZ ASP 241.A OD2 no hydrogen 3.542 N/A TYR 280.A N LYS 277.A O no hydrogen 3.105 N/A TYR 280.A OH GLU 237.A OE1 no hydrogen 2.638 N/A ILE 281.A N LYS 277.A O no hydrogen 3.228 N/A ASP 282.A N GLN 278.A O no hydrogen 2.854 N/A ALA 284.A N TYR 280.A O no hydrogen 2.912 N/A ASN 285.A N ILE 281.A O no hydrogen 2.820 N/A ARG 286.A N ASP 282.A O no hydrogen 2.902 N/A ARG 286.A NH1 ASP 283.A OD1 no hydrogen 3.268 N/A TRP 287.A N ASP 283.A O no hydrogen 3.068 N/A TRP 287.A NE1 TRP 256.A O no hydrogen 3.007 N/A LEU 288.A N ALA 284.A O no hydrogen 3.061 N/A ASP 289.A N ASN 285.A O no hydrogen 2.864 N/A TYR 290.A N ARG 286.A O no hydrogen 3.079 N/A TRP 291.A N TRP 287.A O no hydrogen 3.282 N/A TRP 291.A NE1 TRP 256.A O no hydrogen 2.814 N/A THR 292.A N ASP 289.A O no hydrogen 2.816 N/A THR 292.A OG1 LEU 288.A O no hydrogen 2.865 N/A THR 292.A OG1 ASP 289.A O no hydrogen 3.220 N/A GLY 294.A N ASP 289.A O no hydrogen 2.672 N/A VAL 295.A N GLN 298.A O no hydrogen 2.719 N/A GLN 298.A N VAL 295.A O no hydrogen 3.000 N/A ARG 299.A NE THR 292.A O no hydrogen 2.797 N/A ARG 299.A NH2 THR 292.A O no hydrogen 3.405 N/A VAL 300.A N TYR 290.A O no hydrogen 3.027 N/A TYR 302.A OH TRP 291.A O no hydrogen 2.875 N/A SER 303.A N MET 307.A O no hydrogen 2.910 N/A SER 303.A OG MET 307.A O no hydrogen 3.496 N/A SER 303.A OG ASP 411.A OD1 no hydrogen 2.738 N/A GLY 305.A N ASP 411.A OD2 no hydrogen 3.147 N/A GLY 306.A N SER 303.A O no hydrogen 2.945 N/A MET 307.A N SER 303.A OG no hydrogen 3.015 N/A ALA 308.A N GLN 349.A OE1 no hydrogen 3.088 N/A VAL 309.A N PRO 301.A O no hydrogen 2.897 N/A GLY 314.A N VAL 421.A O no hydrogen 3.451 N/A LEU 316.A N GLY 404.A O no hydrogen 2.911 N/A ARG 317.A NE GLY 314.A O no hydrogen 3.237 N/A ARG 317.A NH2 TRP 313.A O no hydrogen 3.209 N/A TYR 318.A N GLY 314.A O no hydrogen 3.378 N/A ALA 319.A N ALA 315.A O no hydrogen 3.221 N/A ALA 320.A N LEU 316.A O no hydrogen 2.811 N/A ASN 321.A N ARG 317.A O no hydrogen 2.864 N/A ASN 321.A ND2 ILE 258.A O no hydrogen 2.829 N/A THR 322.A N TYR 318.A O no hydrogen 2.998 N/A THR 322.A OG1 THR 257.A OG1 no hydrogen 2.806 N/A THR 322.A OG1 TYR 318.A O no hydrogen 2.935 N/A ALA 323.A N ALA 319.A O no hydrogen 2.902 N/A PHE 324.A N ALA 320.A O no hydrogen 3.079 N/A VAL 325.A N ASN 321.A O no hydrogen 3.235 N/A ALA 326.A N THR 322.A O no hydrogen 2.847 N/A LEU 327.A N ALA 323.A O no hydrogen 3.159 N/A VAL 328.A N PHE 324.A O no hydrogen 3.091 N/A TYR 329.A N VAL 325.A O no hydrogen 2.890 N/A ALA 330.A N ALA 326.A O no hydrogen 2.800 N/A LYS 331.A N VAL 328.A O no hydrogen 3.159 N/A LYS 331.A NZ GLU 442.A OE2 no hydrogen 3.409 N/A VAL 332.A N TYR 329.A O no hydrogen 3.011 N/A ILE 333.A N TYR 329.A O no hydrogen 3.102 N/A VAL 337.A N ASP 335.A OD1 no hydrogen 3.014 N/A ARG 338.A N ASP 335.A OD1 no hydrogen 3.356 N/A ARG 338.A NH1 ASP 289.A OD1 no hydrogen 2.906 N/A ARG 338.A NH1 ASP 289.A OD2 no hydrogen 2.877 N/A LYS 339.A N ASP 335.A O no hydrogen 2.813 N/A GLN 340.A N PRO 336.A O no hydrogen 3.102 N/A ARG 341.A N VAL 337.A O no hydrogen 2.981 N/A ARG 341.A NH1 ASP 289.A OD1 no hydrogen 2.883 N/A TYR 342.A N ARG 338.A O no hydrogen 2.940 N/A TYR 342.A OH ASP 289.A OD1 no hydrogen 2.862 N/A HIS 343.A N LYS 339.A O no hydrogen 3.139 N/A HIS 343.A NE2 GLU 443.A OE1 no hydrogen 2.799 N/A ASP 344.A N GLN 340.A O no hydrogen 2.787 N/A PHE 345.A N ARG 341.A O no hydrogen 2.951 N/A ALA 346.A N TYR 342.A O no hydrogen 3.029 N/A VAL 347.A N HIS 343.A O no hydrogen 3.160 N/A ARG 348.A N ASP 344.A O no hydrogen 3.064 N/A ARG 348.A NH1 ASP 356.A O no hydrogen 3.117 N/A ARG 348.A NH2 ASP 356.A O no hydrogen 2.984 N/A GLN 349.A N PHE 345.A O no hydrogen 3.025 N/A GLN 349.A NE2 GLY 306.A O no hydrogen 2.868 N/A ILE 350.A N ALA 346.A O no hydrogen 2.984 N/A ASN 351.A N VAL 347.A O no hydrogen 2.824 N/A TYR 352.A N ARG 348.A O no hydrogen 2.817 N/A TYR 352.A OH ASP 411.A OD1 no hydrogen 2.809 N/A ALA 353.A N GLN 349.A O no hydrogen 3.245 N/A LEU 354.A N ILE 350.A O no hydrogen 2.921 N/A GLY 355.A N TYR 352.A O no hydrogen 3.247 N/A ASP 356.A N ASN 351.A O no hydrogen 2.887 N/A ASN 357.A N GLY 355.A O no hydrogen 2.888 N/A ASN 357.A ND2 TYR 352.A O no hydrogen 2.980 N/A ASN 357.A ND2 SER 361.A O no hydrogen 2.816 N/A ARG 359.A NH1 TYR 363.A OH no hydrogen 3.056 N/A ASN 360.A N ASN 357.A O no hydrogen 2.867 N/A SER 361.A N ASN 357.A OD1 no hydrogen 3.087 N/A SER 361.A OG ARG 359.A O no hydrogen 2.815 N/A SER 361.A OG ASN 370.A OD1 no hydrogen 2.947 N/A SER 362.A N ASN 369.A O no hydrogen 2.826 N/A SER 362.A OG VAL 364.A O no hydrogen 3.277 N/A SER 362.A OG PHE 367.A O no hydrogen 2.786 N/A TYR 363.A N ALA 353.A O no hydrogen 2.978 N/A VAL 364.A N SER 362.A OG no hydrogen 3.034 N/A VAL 365.A N ALA 401.A O no hydrogen 2.766 N/A PHE 367.A N VAL 364.A O no hydrogen 3.018 N/A ASN 369.A ND2 ASN 360.A O no hydrogen 3.050 N/A ARG 373.A N ASP 415.A OD2 no hydrogen 2.827 N/A ASN 374.A N ASP 415.A OD1 no hydrogen 3.103 N/A ASN 374.A N ASP 415.A OD2 no hydrogen 3.202 N/A ASN 374.A ND2 GLU 393.A OE1 no hydrogen 3.245 N/A HIS 376.A N ASN 423.A O no hydrogen 2.755 N/A HIS 376.A ND1 ARG 417.A O no hydrogen 2.729 N/A HIS 377.A NE2 GLN 20.A OE1 no hydrogen 2.701 N/A ARG 378.A N GLY 57.A O no hydrogen 3.150 N/A ARG 378.A NE TRP 127.A O no hydrogen 2.833 N/A ARG 378.A NH1 GLY 57.A O no hydrogen 3.108 N/A ARG 378.A NH2 HIS 125.A O no hydrogen 3.370 N/A THR 379.A OG1 HIS 59.A NE2 no hydrogen 3.283 N/A ALA 380.A N HIS 377.A ND1 no hydrogen 3.060 N/A HIS 381.A N HIS 377.A O no hydrogen 2.990 N/A HIS 381.A NE2 PRO 391.A O no hydrogen 2.689 N/A GLY 382.A N ARG 378.A O no hydrogen 3.143 N/A SER 383.A OG SER 387.A O no hydrogen 2.798 N/A SER 383.A OG SER 390.A O no hydrogen 2.922 N/A SER 387.A N SER 383.A OG no hydrogen 3.218 N/A ALA 389.A N SER 387.A OG no hydrogen 3.107 N/A SER 390.A N SER 387.A OG no hydrogen 3.336 N/A ASN 394.A N ASN 374.A OD1 no hydrogen 3.048 N/A ASN 394.A ND2 PRO 375.A O no hydrogen 3.038 N/A ARG 395.A N HIS 381.A O no hydrogen 2.821 N/A ARG 395.A NE ASP 459.A OD2 no hydrogen 2.890 N/A ARG 395.A NH1 GLY 382.A O no hydrogen 2.970 N/A ARG 395.A NH1 GLN 486.A O no hydrogen 2.987 N/A ARG 395.A NH2 ASP 459.A OD1 no hydrogen 2.870 N/A ARG 395.A NH2 GLN 486.A O no hydrogen 2.886 N/A HIS 396.A N ALA 380.A O no hydrogen 2.980 N/A HIS 396.A ND1 GLU 456.A OE1 no hydrogen 2.999 N/A VAL 397.A N GLU 456.A OE2 no hydrogen 2.999 N/A TYR 399.A N VAL 397.A O no hydrogen 2.872 N/A GLY 400.A N VAL 365.A O no hydrogen 2.909 N/A ALA 401.A N LEU 398.A O no hydrogen 3.253 N/A LEU 402.A N ASN 430.A OD1 no hydrogen 3.084 N/A VAL 403.A N TYR 363.A O no hydrogen 2.978 N/A GLY 405.A N ALA 422.A O no hydrogen 2.840 N/A ASN 410.A N SER 408.A O no hydrogen 2.742 N/A ALA 412.A N ASN 410.A OD1 no hydrogen 2.954 N/A TYR 413.A OH ASN 423.A OD1 no hydrogen 2.660 N/A ASP 416.A N THR 414.A O no hydrogen 2.597 N/A ARG 417.A NE ILE 388.A O no hydrogen 2.830 N/A ARG 417.A NH1 ALA 392.A O no hydrogen 2.920 N/A ARG 417.A NH1 ASN 394.A OD1 no hydrogen 2.838 N/A ARG 417.A NH2 ILE 388.A O no hydrogen 2.839 N/A ARG 417.A NH2 ALA 392.A O no hydrogen 3.068 N/A ASP 419.A N ASP 416.A O no hydrogen 3.041 N/A VAL 421.A N ASP 419.A OD1 no hydrogen 3.265 N/A ALA 422.A N ASP 419.A OD1 no hydrogen 3.151 N/A ASN 423.A N ASP 419.A O no hydrogen 2.677 N/A ASN 423.A ND2 ASP 415.A OD1 no hydrogen 2.949 N/A ASN 423.A ND2 ASP 416.A O no hydrogen 3.397 N/A THR 427.A N ASP 55.A O no hydrogen 2.992 N/A THR 427.A OG1 ASP 55.A O no hydrogen 3.485 N/A THR 427.A OG1 THR 69.A OG1 no hydrogen 3.379 N/A TYR 429.A N ALA 426.A O no hydrogen 3.029 N/A ASN 430.A ND2 SER 13.A OG no hydrogen 3.055 N/A ASN 430.A ND2 GLY 400.A O no hydrogen 2.866 N/A ALA 431.A N ASP 428.A O no hydrogen 3.194 N/A SER 434.A N ASN 430.A O no hydrogen 2.835 N/A SER 434.A OG SER 13.A OG no hydrogen 2.577 N/A SER 434.A OG ASN 430.A O no hydrogen 2.502 N/A SER 435.A N ALA 431.A O no hydrogen 3.310 N/A SER 435.A OG MET 72.A O no hydrogen 2.794 N/A SER 435.A OG ALA 431.A O no hydrogen 3.377 N/A ALA 436.A N GLY 432.A O no hydrogen 3.036 N/A LEU 437.A N PHE 433.A O no hydrogen 2.951 N/A ALA 438.A N SER 434.A O no hydrogen 2.974 N/A MET 439.A N SER 435.A O no hydrogen 3.204 N/A LEU 440.A N ALA 436.A O no hydrogen 3.010 N/A VAL 441.A N LEU 437.A O no hydrogen 2.902 N/A GLU 442.A N ALA 438.A O no hydrogen 3.231 N/A GLU 443.A N MET 439.A O no hydrogen 3.219 N/A TYR 444.A N LEU 440.A O no hydrogen 2.748 N/A GLY 445.A N VAL 441.A O no hydrogen 2.800 N/A THR 447.A N ASN 5.A OD1 no hydrogen 3.264 N/A LEU 449.A N GLN 11.A OE1 no hydrogen 2.868 N/A PHE 464.A N ARG 484.A O no hydrogen 3.074 N/A GLU 466.A N MET 482.A O no hydrogen 2.924 N/A ALA 467.A N ALA 586.A O no hydrogen 2.842 N/A GLN 468.A N LYS 480.A O no hydrogen 3.057 N/A ILE 469.A N GLY 582.A O no hydrogen 2.951 N/A ASN 470.A N GLU 478.A O no hydrogen 3.001 N/A ASN 470.A ND2 GLU 478.A OE2 no hydrogen 2.770 N/A THR 471.A OG1 GLU 478.A OE2 no hydrogen 3.213 N/A THR 477.A N ILE 564.A O no hydrogen 3.101 N/A ILE 479.A N PHE 562.A O no hydrogen 2.866 N/A LYS 480.A N GLN 468.A O no hydrogen 2.928 N/A ALA 481.A N VAL 560.A O no hydrogen 2.858 N/A MET 482.A N GLU 466.A O no hydrogen 2.687 N/A ILE 483.A N ARG 558.A O no hydrogen 2.952 N/A ARG 484.A N PHE 464.A O no hydrogen 2.875 N/A ARG 484.A NE GLU 466.A OE1 no hydrogen 2.770 N/A ARG 484.A NH1 HIS 556.A NE2 no hydrogen 3.302 N/A ARG 484.A NH2 GLU 466.A OE1 no hydrogen 2.944 N/A ASN 485.A N HIS 556.A O no hydrogen 2.897 N/A ASN 485.A ND2 ARG 492.A O no hydrogen 2.842 N/A ASN 485.A ND2 ILE 548.A O no hydrogen 2.794 N/A GLN 486.A N GLU 462.A O no hydrogen 2.706 N/A SER 487.A N ASN 485.A OD1 no hydrogen 3.260 N/A SER 487.A OG ASN 485.A OD1 no hydrogen 2.771 N/A GLY 488.A N GLU 462.A OE2 no hydrogen 2.865 N/A TRP 489.A N GLU 462.A OE2 no hydrogen 2.800 N/A ARG 492.A N SER 487.A OG no hydrogen 3.003 N/A ARG 492.A NH1 GLU 462.A OE1 no hydrogen 3.472 N/A ARG 492.A NH1 GLU 462.A OE2 no hydrogen 3.108 N/A ARG 492.A NH1 PRO 490.A O no hydrogen 2.681 N/A ARG 492.A NH2 GLU 462.A OE1 no hydrogen 2.905 N/A LEU 494.A N ILE 548.A O no hydrogen 3.043 N/A THR 498.A N TYR 594.A O no hydrogen 3.147 N/A PHE 499.A N ILE 541.A O no hydrogen 3.055 N/A ARG 500.A N VAL 592.A O no hydrogen 2.982 N/A ARG 500.A NE GLU 540.A OE2 no hydrogen 3.234 N/A ARG 500.A NH2 GLU 540.A OE2 no hydrogen 3.417 N/A TYR 501.A N VAL 539.A O no hydrogen 3.026 N/A TRP 502.A N SER 577.A OG no hydrogen 2.700 N/A PHE 503.A N TYR 537.A O no hydrogen 2.952 N/A THR 504.A N ASP 575.A OD1 no hydrogen 3.153 N/A THR 504.A OG1 ASN 574.A O no hydrogen 2.954 N/A LEU 505.A N ASP 535.A O no hydrogen 2.740 N/A VAL 509.A N ASP 506.A O no hydrogen 3.048 N/A ALA 512.A N ASP 510.A OD1 no hydrogen 3.447 N/A ASP 513.A N ASP 510.A O no hydrogen 2.743 N/A ILE 514.A N PRO 511.A O no hydrogen 3.021 N/A THR 515.A N ALA 565.A O no hydrogen 3.038 N/A SER 517.A N ARG 563.A O no hydrogen 3.041 N/A SER 518.A OG GLN 561.A O no hydrogen 2.600 N/A TYR 520.A N SER 518.A OG no hydrogen 3.055 N/A ASN 521.A ND2 ALA 524.A O no hydrogen 2.832 N/A ASN 521.A ND2 THR 525.A OG1 no hydrogen 2.869 N/A GLN 522.A N GLU 559.A O no hydrogen 2.981 N/A CYS 523.A N ASN 521.A OD1 no hydrogen 2.938 N/A ALA 524.A N ASP 542.A O no hydrogen 3.060 N/A HIS 530.A N TYR 538.A O no hydrogen 2.926 N/A HIS 531.A NE2 GLY 534.A O no hydrogen 2.686 N/A VAL 532.A N LEU 536.A O no hydrogen 2.837 N/A LEU 536.A N SER 533.A O no hydrogen 2.863 N/A TYR 537.A N PHE 503.A O no hydrogen 3.106 N/A TYR 538.A N HIS 530.A O no hydrogen 2.826 N/A VAL 539.A N TYR 501.A O no hydrogen 2.922 N/A ILE 541.A N PHE 499.A O no hydrogen 3.022 N/A CYS 543.A N GLY 497.A O no hydrogen 2.808 N/A THR 544.A N ASP 542.A OD1 no hydrogen 2.870 N/A THR 544.A OG1 ASP 542.A OD1 no hydrogen 2.820 N/A GLY 545.A N ASP 495.A O no hydrogen 2.867 N/A GLU 546.A N CYS 543.A O no hydrogen 3.067 N/A ILE 548.A N LEU 494.A O no hydrogen 3.254 N/A PHE 549.A N GLU 555.A O no hydrogen 2.954 N/A GLY 551.A N PHE 549.A O no hydrogen 2.721 N/A GLY 552.A N TRP 384.A O no hydrogen 2.959 N/A GLU 555.A N GLU 555.A OE1 no hydrogen 2.731 N/A HIS 556.A N GLY 552.A O no hydrogen 3.248 N/A HIS 556.A ND1 GLY 552.A O no hydrogen 2.813 N/A ARG 557.A NE GLN 553.A O no hydrogen 3.174 N/A ARG 558.A N ILE 483.A O no hydrogen 3.175 N/A ARG 558.A NE GLU 546.A OE1 no hydrogen 2.908 N/A ARG 558.A NH1 GLU 555.A O no hydrogen 3.419 N/A ARG 558.A NH1 ARG 557.A O no hydrogen 2.985 N/A ARG 558.A NH2 GLU 546.A OE1 no hydrogen 3.487 N/A ARG 558.A NH2 LYS 547.A O no hydrogen 3.173 N/A GLU 559.A N GLN 522.A OE1 no hydrogen 2.895 N/A VAL 560.A N ALA 481.A O no hydrogen 2.969 N/A GLN 561.A N TYR 520.A O no hydrogen 3.021 N/A PHE 562.A N ILE 479.A O no hydrogen 2.943 N/A ARG 563.A N SER 517.A O no hydrogen 2.768 N/A ARG 563.A NE GLU 478.A OE1 no hydrogen 2.948 N/A ARG 563.A NH2 GLU 478.A OE1 no hydrogen 2.726 N/A ILE 564.A N THR 477.A O no hydrogen 3.042 N/A ALA 565.A N THR 515.A O no hydrogen 2.880 N/A GLY 566.A N THR 475.A O no hydrogen 2.900 N/A GLY 567.A N THR 475.A O no hydrogen 3.051 N/A TRP 570.A N GLY 567.A O no hydrogen 3.162 N/A TRP 570.A NE1 THR 477.A OG1 no hydrogen 2.866 N/A ASP 571.A N ASP 506.A OD2 no hydrogen 3.020 N/A SER 573.A N ASP 571.A OD1 no hydrogen 3.100 N/A SER 573.A OG ASP 571.A OD1 no hydrogen 2.640 N/A SER 573.A OG ASP 571.A OD2 no hydrogen 2.969 N/A ASN 574.A ND2 ASP 506.A OD1 no hydrogen 2.988 N/A ASP 575.A N PRO 572.A O no hydrogen 3.054 N/A TRP 576.A NE1 THR 603.A O no hydrogen 3.128 N/A SER 577.A N TRP 502.A O no hydrogen 3.042 N/A SER 577.A OG TRP 502.A O no hydrogen 3.391 N/A SER 577.A OG TYR 590.A O no hydrogen 2.912 N/A PHE 578.A N ASP 575.A O no hydrogen 3.216 N/A GLN 579.A N TRP 576.A O no hydrogen 3.243 N/A GLN 579.A NE2 TRP 576.A O no hydrogen 2.853 N/A ILE 581.A N PHE 578.A O no hydrogen 3.198 N/A ALA 586.A N ALA 467.A O no hydrogen 3.205 N/A ALA 588.A N VAL 465.A O no hydrogen 2.844 N/A ILE 591.A N ALA 588.A O no hydrogen 3.325 N/A LEU 593.A N TRP 601.A O no hydrogen 3.025 N/A TYR 594.A N THR 498.A O no hydrogen 2.766 N/A ASP 595.A N VAL 598.A O no hydrogen 2.650 N/A ASP 596.A N LYS 496.A O no hydrogen 2.801 N/A VAL 598.A N ASP 595.A O no hydrogen 3.074 N/A VAL 600.A N LEU 593.A O no hydrogen 2.728 N/A TRP 601.A N LEU 593.A O no hydrogen 3.420 N/A TRP 601.A NE1 ALA 588.A O no hydrogen 2.902 N/A THR 603.A N PRO 589.A O no hydrogen 2.977 N/A