Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2o8r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N SER 1.A OG no hydrogen 2.531 N/A TYR 3.A OH GLU 500.A OE1 no hydrogen 2.535 N/A TYR 3.A OH GLU 500.A OE2 no hydrogen 2.962 N/A PHE 6.A N CYS 514.A O no hydrogen 2.955 N/A SER 10.A OG CYS 513.A O no hydrogen 2.983 N/A TRP 11.A N ARG 8.A O no hydrogen 2.629 N/A LEU 12.A N ASP 9.A O no hydrogen 2.758 N/A SER 13.A OG LEU 600.A O no hydrogen 2.655 N/A PHE 14.A N SER 10.A O no hydrogen 3.284 N/A ASN 15.A N TRP 11.A O no hydrogen 3.109 N/A ASN 15.A ND2 PHE 38.A O no hydrogen 3.009 N/A GLU 16.A N LEU 12.A O no hydrogen 2.909 N/A ARG 17.A N SER 13.A O no hydrogen 3.157 N/A ARG 17.A NH1 ARG 17.A O no hydrogen 2.936 N/A ARG 17.A NH1 GLU 20.A OE2 no hydrogen 3.361 N/A ARG 17.A NH2 GLU 20.A OE2 no hydrogen 2.879 N/A ARG 17.A NH2 LYS 592.A O no hydrogen 2.831 N/A VAL 18.A N PHE 14.A O no hydrogen 3.124 N/A LEU 19.A N ASN 15.A O no hydrogen 2.940 N/A ALA 22.A N LEU 19.A O no hydrogen 3.338 N/A ASP 23.A N GLU 20.A O no hydrogen 3.151 N/A THR 25.A N ASP 23.A OD1 no hydrogen 3.021 N/A THR 25.A OG1 ASP 23.A OD1 no hydrogen 2.682 N/A THR 25.A OG1 ASP 23.A OD2 no hydrogen 3.289 N/A LEU 26.A N ASP 23.A O no hydrogen 3.067 N/A TYR 29.A N LEU 269.A O no hydrogen 3.123 N/A TYR 29.A OH PRO 262.A O no hydrogen 2.700 N/A ASP 30.A N PRO 27.A O no hydrogen 2.855 N/A ARG 31.A NE LEU 26.A O no hydrogen 2.788 N/A ARG 31.A NH2 LEU 26.A O no hydrogen 3.129 N/A ILE 32.A N VAL 28.A O no hydrogen 2.892 N/A LYS 33.A N TYR 29.A O no hydrogen 2.984 N/A LYS 33.A NZ ALA 260.A O no hydrogen 2.908 N/A PHE 34.A N ASP 30.A O no hydrogen 3.310 N/A LEU 35.A N ARG 31.A O no hydrogen 2.990 N/A SER 36.A N ILE 32.A O no hydrogen 3.073 N/A SER 36.A OG GLN 257.A O no hydrogen 3.189 N/A ILE 37.A N LYS 33.A O no hydrogen 2.934 N/A PHE 38.A N PHE 34.A O no hydrogen 2.910 N/A SER 39.A N LEU 35.A O no hydrogen 3.051 N/A SER 39.A OG LEU 35.A O no hydrogen 3.216 N/A SER 39.A OG TYR 76.A OH no hydrogen 2.907 N/A SER 40.A N SER 36.A O no hydrogen 2.892 N/A SER 40.A OG SER 36.A O no hydrogen 2.965 N/A SER 40.A OG ILE 37.A O no hydrogen 2.883 N/A ASN 41.A N ILE 37.A O no hydrogen 2.833 N/A ASN 41.A ND2 ASN 15.A OD1 no hydrogen 2.920 N/A LEU 42.A N PHE 38.A O no hydrogen 3.105 N/A GLU 43.A N SER 39.A O no hydrogen 3.047 N/A GLU 44.A N SER 40.A O no hydrogen 3.131 N/A PHE 45.A N ASN 41.A O no hydrogen 2.943 N/A TYR 46.A N LEU 42.A O no hydrogen 3.076 N/A THR 47.A N GLU 43.A O no hydrogen 3.040 N/A VAL 48.A N GLU 44.A O no hydrogen 3.127 N/A ARG 49.A N PHE 45.A O no hydrogen 2.844 N/A ARG 49.A NE ASP 9.A OD1 no hydrogen 2.657 N/A ARG 49.A NE ASP 9.A OD2 no hydrogen 3.253 N/A ARG 49.A NH2 ASP 9.A OD2 no hydrogen 3.372 N/A VAL 50.A N PHE 45.A O no hydrogen 3.095 N/A ALA 51.A N TYR 46.A O no hydrogen 3.191 N/A TYR 52.A N VAL 48.A O no hydrogen 3.423 N/A HIS 53.A N ARG 49.A O no hydrogen 3.168 N/A HIS 53.A NE2 ASP 9.A OD2 no hydrogen 2.724 N/A GLN 54.A N VAL 50.A O no hydrogen 2.888 N/A ALA 55.A N ALA 51.A O no hydrogen 2.858 N/A VAL 56.A N TYR 52.A O no hydrogen 2.997 N/A LEU 57.A N HIS 53.A O no hydrogen 3.219 N/A ALA 64.A N HIS 60.A O no hydrogen 2.756 N/A ILE 65.A N ILE 61.A O no hydrogen 2.956 N/A ARG 66.A N LEU 62.A O no hydrogen 3.149 N/A ARG 66.A NH1 ALA 247.A O no hydrogen 3.413 N/A ARG 66.A NH2 ALA 247.A O no hydrogen 3.006 N/A GLU 67.A N GLN 63.A O no hydrogen 3.034 N/A THR 68.A N ALA 64.A O no hydrogen 3.009 N/A THR 68.A OG1 ALA 64.A O no hydrogen 3.501 N/A VAL 69.A N ILE 65.A O no hydrogen 2.756 N/A ILE 70.A N ARG 66.A O no hydrogen 2.934 N/A ARG 71.A N GLU 67.A O no hydrogen 3.273 N/A ARG 71.A NH1 GLU 16.A OE2 no hydrogen 3.441 N/A ARG 71.A NH2 GLU 16.A OE2 no hydrogen 2.778 N/A GLN 72.A N THR 68.A O no hydrogen 2.938 N/A GLN 72.A NE2 LEU 12.A O no hydrogen 3.158 N/A GLN 72.A NE2 GLU 16.A OE2 no hydrogen 3.264 N/A ASP 73.A N VAL 69.A O no hydrogen 2.791 N/A GLU 74.A N ILE 70.A O no hydrogen 3.285 N/A LEU 75.A N ARG 71.A O no hydrogen 3.170 N/A TYR 76.A N GLN 72.A O no hydrogen 2.817 N/A TYR 76.A OH SER 39.A OG no hydrogen 2.907 N/A TYR 77.A N ASP 73.A O no hydrogen 3.098 N/A TYR 77.A OH TYR 253.A O no hydrogen 2.346 N/A ARG 78.A N GLU 74.A O no hydrogen 3.140 N/A ILE 79.A N LEU 75.A O no hydrogen 2.924 N/A PHE 80.A N TYR 76.A O no hydrogen 2.881 N/A TYR 81.A N TYR 77.A O no hydrogen 2.798 N/A ASP 82.A N ARG 78.A O no hydrogen 2.819 N/A GLN 83.A N ILE 79.A O no hydrogen 3.024 N/A ILE 84.A N ILE 79.A O no hydrogen 2.849 N/A LEU 85.A N PHE 80.A O no hydrogen 2.988 N/A THR 87.A N GLN 83.A O no hydrogen 2.740 N/A THR 87.A OG1 GLN 83.A O no hydrogen 2.355 N/A LEU 88.A N ILE 84.A O no hydrogen 2.805 N/A GLU 89.A N LEU 85.A O no hydrogen 3.171 N/A GLU 90.A N PRO 86.A O no hydrogen 3.109 N/A HIS 91.A N THR 87.A O no hydrogen 3.256 N/A HIS 91.A N LEU 88.A O no hydrogen 3.117 N/A HIS 91.A ND1 THR 87.A O no hydrogen 2.816 N/A GLY 92.A N GLU 89.A O no hydrogen 3.112 N/A ILE 93.A N LEU 88.A O no hydrogen 2.743 N/A ARG 94.A N TYR 181.A O no hydrogen 2.761 N/A ARG 96.A N TYR 183.A O no hydrogen 2.791 N/A ARG 96.A NH2 HIS 105.A ND1 no hydrogen 2.594 N/A THR 97.A OG1 TYR 253.A OH no hydrogen 3.395 N/A HIS 102.A NE2 ASP 104.A OD2 no hydrogen 3.138 N/A HIS 105.A NE2 PRO 173.A O no hydrogen 3.154 N/A LYS 106.A N HIS 102.A O no hydrogen 2.856 N/A ALA 107.A N PRO 103.A O no hydrogen 2.799 N/A TYR 108.A N ASP 104.A O no hydrogen 2.876 N/A LEU 109.A N HIS 105.A O no hydrogen 2.961 N/A ARG 110.A N LYS 106.A O no hydrogen 2.974 N/A ARG 111.A N ALA 107.A O no hydrogen 3.111 N/A ARG 111.A NE GLU 115.A OE1 no hydrogen 2.817 N/A ARG 111.A NH2 GLU 115.A OE1 no hydrogen 3.138 N/A PHE 112.A N TYR 108.A O no hydrogen 2.797 N/A PHE 113.A N LEU 109.A O no hydrogen 2.636 N/A HIS 114.A N ARG 110.A O no hydrogen 3.123 N/A HIS 114.A ND1 ARG 110.A O no hydrogen 2.791 N/A GLU 115.A N ARG 111.A O no hydrogen 2.681 N/A GLU 116.A N PHE 112.A O no hydrogen 2.725 N/A ILE 117.A N PHE 112.A O no hydrogen 3.111 N/A PHE 118.A N PHE 113.A O no hydrogen 2.754 N/A LEU 120.A N ILE 117.A O no hydrogen 2.693 N/A LEU 121.A N PHE 118.A O no hydrogen 2.929 N/A TYR 122.A N ASN 160.A OD1 no hydrogen 2.753 N/A LEU 125.A N TYR 156.A O no hydrogen 2.858 N/A LYS 129.A N LEU 126.A O no hydrogen 2.857 N/A VAL 130.A N LEU 126.A O no hydrogen 2.838 N/A ARG 135.A N TYR 140.A OH no hydrogen 2.967 N/A SER 136.A N ASP 215.A OD1 no hydrogen 3.320 N/A SER 136.A OG ASP 215.A OD1 no hydrogen 2.736 N/A ARG 138.A NH1.A VAL 161.A O no hydrogen 2.709 N/A ARG 138.A NH2.A VAL 161.A O no hydrogen 3.387 N/A TYR 140.A N ILE 208.A O no hydrogen 3.112 N/A LEU 141.A N LEU 159.A O no hydrogen 2.915 N/A ALA 142.A N TYR 206.A O no hydrogen 2.900 N/A VAL 143.A N ALA 157.A O no hydrogen 2.720 N/A ARG 144.A N ASP 204.A O no hydrogen 2.858 N/A LEU 145.A N SER 155.A O no hydrogen 2.793 N/A LYS 146.A N GLU 202.A O no hydrogen 3.214 N/A SER 155.A N LEU 145.A O no hydrogen 2.698 N/A ALA 157.A N VAL 143.A O no hydrogen 2.760 N/A LEU 159.A N LEU 141.A O no hydrogen 2.838 N/A ASN 160.A N ASN 160.A OD1 no hydrogen 2.520 N/A ASN 160.A ND2 LEU 120.A O no hydrogen 2.742 N/A VAL 161.A N VAL 139.A O no hydrogen 3.402 N/A THR 163.A N VAL 161.A O no hydrogen 2.596 N/A GLY 165.A N PRO 162.A O no hydrogen 3.024 N/A LEU 166.A N PRO 162.A O no hydrogen 2.920 N/A ARG 168.A NE GLU 187.A OE1 no hydrogen 2.907 N/A ARG 168.A NH1 VAL 254.A O no hydrogen 3.207 N/A ARG 168.A NH1 ASN 255.A O no hydrogen 3.224 N/A ARG 168.A NH1 ASP 258.A OD2 no hydrogen 2.717 N/A ARG 168.A NH2 GLU 187.A OE1 no hydrogen 3.552 N/A ARG 168.A NH2 GLU 187.A OE2 no hydrogen 2.578 N/A ARG 168.A NH2 VAL 254.A O no hydrogen 2.833 N/A VAL 170.A N SER 184.A O no hydrogen 2.752 N/A LEU 172.A N TYR 182.A O no hydrogen 3.171 N/A ARG 174.A NE PHE 180.A O no hydrogen 3.040 N/A ARG 174.A NH2 ASP 178.A O no hydrogen 3.292 N/A LEU 175.A N ASP 178.A OD2 no hydrogen 3.015 N/A ASP 178.A N LEU 175.A O no hydrogen 2.700 N/A TYR 181.A N GLY 92.A O no hydrogen 2.807 N/A TYR 183.A N ARG 94.A O no hydrogen 2.812 N/A SER 184.A N VAL 170.A O no hydrogen 2.905 N/A LEU 186.A N ARG 168.A O no hydrogen 2.745 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.765 N/A ASP 188.A N PHE 185.A O no hydrogen 3.196 N/A ILE 189.A N PHE 185.A O no hydrogen 3.372 N/A ILE 190.A N LEU 186.A O no hydrogen 3.163 N/A LYS 191.A N GLU 187.A O no hydrogen 3.009 N/A GLU 192.A N ASP 188.A O no hydrogen 3.069 N/A GLU 192.A N ILE 189.A O no hydrogen 3.071 N/A HIS 193.A N ILE 190.A O no hydrogen 2.925 N/A HIS 193.A ND1 ILE 189.A O no hydrogen 2.851 N/A VAL 196.A N HIS 193.A O no hydrogen 3.029 N/A VAL 197.A N LEU 194.A O no hydrogen 2.969 N/A PHE 198.A N LEU 194.A O no hydrogen 2.922 N/A TYR 201.A N PHE 198.A O no hydrogen 3.203 N/A GLU 202.A N LYS 146.A O no hydrogen 2.697 N/A TYR 206.A N ALA 142.A O no hydrogen 2.870 N/A ILE 208.A N TYR 140.A O no hydrogen 2.802 N/A LYS 209.A NZ GLU 43.A OE1 no hydrogen 2.588 N/A LYS 209.A NZ ASN 255.A OD1 no hydrogen 2.714 N/A SER 211.A N ARG 223.A O no hydrogen 3.021 N/A SER 211.A OG GLU 43.A OE1 no hydrogen 3.411 N/A SER 211.A OG GLU 43.A OE2 no hydrogen 2.954 N/A ARG 223.A N SER 211.A O no hydrogen 3.163 N/A ARG 223.A NE SER 211.A OG no hydrogen 3.173 N/A PHE 224.A N GLU 246.A O no hydrogen 2.866 N/A ASP 226.A N SER 207.A O no hydrogen 3.153 N/A GLY 227.A N SER 250.A O no hydrogen 2.713 N/A ARG 228.A N ASP 226.A OD1 no hydrogen 3.363 N/A LEU 233.A N PRO 229.A O no hydrogen 3.407 N/A ARG 234.A N ASP 230.A O no hydrogen 2.742 N/A TYR 235.A N VAL 232.A O no hydrogen 3.128 N/A ILE 236.A N VAL 232.A O no hydrogen 3.131 N/A ILE 236.A N LEU 233.A O no hydrogen 2.892 N/A CYS 237.A N LEU 233.A O no hydrogen 2.726 N/A CYS 237.A SG ILE 242.A O no hydrogen 3.110 N/A SER 239.A N ILE 236.A O no hydrogen 3.478 N/A CYS 240.A N CYS 237.A O no hydrogen 3.171 N/A ASP 241.A N CYS 237.A O no hydrogen 3.072 N/A GLU 246.A N ASP 243.A O no hydrogen 3.336 N/A ILE 248.A N PHE 224.A O no hydrogen 2.921 N/A ARG 249.A NE GLY 227.A O no hydrogen 3.531 N/A ARG 249.A NH2 GLY 227.A O no hydrogen 3.522 N/A SER 250.A N TYR 225.A O no hydrogen 2.721 N/A ASN 252.A ND2 ASP 226.A OD1 no hydrogen 3.361 N/A TYR 253.A OH THR 97.A O no hydrogen 2.682 N/A TYR 253.A OH THR 97.A OG1 no hydrogen 3.395 N/A TYR 253.A OH ASP 188.A OD1 no hydrogen 3.423 N/A TYR 253.A OH ASP 188.A OD2 no hydrogen 2.614 N/A ASN 255.A ND2 ASN 255.A O no hydrogen 3.153 N/A ASN 255.A ND2 ASP 258.A OD1 no hydrogen 3.531 N/A GLN 257.A N GLN 257.A OE1 no hydrogen 2.746 N/A ASP 258.A N ASN 255.A O no hydrogen 3.278 N/A LEU 259.A N LEU 256.A O no hydrogen 3.026 N/A ALA 260.A N GLN 257.A O no hydrogen 3.320 N/A ASN 263.A ND2 ARG 268.A O no hydrogen 2.731 N/A ASN 263.A ND2 GLU 270.A OE1 no hydrogen 3.491 N/A PHE 265.A N ASN 263.A OD1 no hydrogen 2.774 N/A ARG 268.A N PHE 265.A O no hydrogen 2.826 N/A THR 271.A N ASP 30.A OD1 no hydrogen 3.246 N/A THR 271.A OG1 ASP 30.A OD1 no hydrogen 3.368 N/A THR 271.A OG1 ASP 30.A OD2 no hydrogen 2.869 N/A LEU 277.A N TYR 302.A O no hydrogen 2.702 N/A SER 279.A N TYR 307.A OH no hydrogen 2.992 N/A LYS 280.A N GLU 627.A OE1 no hydrogen 3.046 N/A LYS 280.A NZ GLU 627.A O no hydrogen 3.548 N/A LEU 282.A N SER 279.A OG no hydrogen 3.083 N/A GLU 283.A N SER 279.A O no hydrogen 2.955 N/A GLN 284.A N LYS 280.A O no hydrogen 2.871 N/A GLN 284.A N HIS 281.A O no hydrogen 3.112 N/A ALA 285.A N LEU 282.A O no hydrogen 3.246 N/A LEU 288.A N GLU 313.A OE2 no hydrogen 2.809 N/A GLY 290.A N SER 287.A O no hydrogen 3.003 N/A ILE 291.A N LEU 288.A O no hydrogen 3.130 N/A ARG 292.A NE GLU 289.A OE1 no hydrogen 2.980 N/A ARG 293.A N GLU 289.A O no hydrogen 3.102 N/A ARG 293.A N GLY 290.A O no hydrogen 3.237 N/A LYS 294.A N GLY 290.A O no hydrogen 3.004 N/A ILE 298.A N THR 422.A O no hydrogen 2.776 N/A HIS 299.A NE2 GLU 578.A OE1 no hydrogen 3.320 N/A VAL 300.A N ASP 420.A O no hydrogen 2.976 N/A TYR 303.A N HIS 299.A O no hydrogen 2.867 N/A TYR 303.A OH GLU 627.A OE2 no hydrogen 2.719 N/A THR 304.A N LEU 277.A O no hydrogen 3.264 N/A TYR 307.A OH GLU 283.A OE2 no hydrogen 2.814 N/A ARG 310.A N ASP 306.A O no hydrogen 3.021 N/A ARG 310.A NH1 GLU 283.A OE1 no hydrogen 3.450 N/A LEU 311.A N TYR 307.A O no hydrogen 2.960 N/A LEU 312.A N VAL 308.A O no hydrogen 2.911 N/A ALA 314.A N LEU 311.A O no hydrogen 2.901 N/A ALA 315.A N LEU 312.A O no hydrogen 2.945 N/A ILE 316.A N GLU 313.A O no hydrogen 3.209 N/A SER 317.A N ALA 314.A O no hydrogen 3.478 N/A ASP 319.A N SER 317.A OG no hydrogen 3.072 N/A VAL 320.A N SER 317.A O no hydrogen 3.346 N/A SER 321.A N LEU 390.A O no hydrogen 2.813 N/A SER 321.A OG LEU 390.A O no hydrogen 3.205 N/A GLU 322.A N LEU 390.A O no hydrogen 3.427 N/A ILE 323.A N LYS 349.A O no hydrogen 2.887 N/A ARG 324.A N LEU 388.A O no hydrogen 2.871 N/A ARG 324.A NH1 GLU 322.A OE2 no hydrogen 3.087 N/A ARG 324.A NH2 PHE 437.A O no hydrogen 3.172 N/A LEU 325.A N SER 351.A O no hydrogen 3.123 N/A THR 326.A N THR 386.A O no hydrogen 3.017 N/A THR 326.A OG1 ALA 384.A O no hydrogen 2.804 N/A THR 326.A OG1 THR 386.A O no hydrogen 3.176 N/A GLN 327.A N PHE 353.A O no hydrogen 3.048 N/A SER 338.A N SER 334.A O no hydrogen 2.820 N/A ALA 339.A N SER 335.A O no hydrogen 2.724 N/A LEU 340.A N ILE 336.A O no hydrogen 2.832 N/A GLU 341.A N ILE 337.A O no hydrogen 2.719 N/A ALA 342.A N SER 338.A O no hydrogen 2.995 N/A ALA 343.A N ALA 339.A O no hydrogen 3.150 N/A ALA 344.A N LEU 340.A O no hydrogen 2.951 N/A GLN 345.A N GLU 341.A O no hydrogen 2.889 N/A GLN 345.A NE2 SER 370.A OG no hydrogen 3.222 N/A SER 346.A N ALA 342.A O no hydrogen 2.869 N/A GLY 347.A N ALA 344.A O no hydrogen 3.195 N/A LYS 348.A N ALA 343.A O no hydrogen 3.170 N/A LYS 348.A NZ ALA 315.A O no hydrogen 2.768 N/A LYS 349.A N SER 321.A O no hydrogen 3.072 N/A SER 351.A N ILE 323.A O no hydrogen 3.082 N/A VAL 352.A N ARG 373.A O no hydrogen 2.721 N/A PHE 353.A N LEU 325.A O no hydrogen 2.880 N/A VAL 354.A N VAL 375.A O no hydrogen 2.996 N/A GLU 355.A N GLN 327.A O no hydrogen 3.392 N/A ASN 361.A ND2 VAL 330.A O no hydrogen 2.936 N/A SER 365.A N ASN 361.A O no hydrogen 2.761 N/A SER 365.A OG ASN 361.A O no hydrogen 2.925 N/A GLU 366.A N LEU 362.A O no hydrogen 3.129 N/A ARG 367.A N ARG 363.A O no hydrogen 2.943 N/A ARG 367.A NE GLU 341.A OE2 no hydrogen 2.962 N/A ARG 367.A NH1 ASN 333.A OD1 no hydrogen 2.413 N/A ARG 368.A NH1 ILE 374.A O no hydrogen 3.514 N/A ARG 369.A N GLU 366.A O no hydrogen 2.897 N/A SER 370.A N ARG 367.A O no hydrogen 2.917 N/A SER 370.A OG ARG 367.A O no hydrogen 2.745 N/A GLY 371.A N ARG 368.A O no hydrogen 2.832 N/A ARG 373.A N VAL 350.A O no hydrogen 2.705 N/A ARG 373.A NH1 ASP 441.A OD2 no hydrogen 3.466 N/A ARG 373.A NH2 ASP 441.A OD1 no hydrogen 3.021 N/A ARG 373.A NH2 ASP 441.A OD2 no hydrogen 3.173 N/A VAL 375.A N VAL 352.A O no hydrogen 2.961 N/A SER 377.A N VAL 354.A O no hydrogen 3.361 N/A SER 377.A OG VAL 354.A O no hydrogen 3.197 N/A HIS 383.A N ILE 564.A O no hydrogen 2.863 N/A HIS 383.A ND1 GLU 565.A OE1 no hydrogen 2.760 N/A ALA 384.A N ILE 564.A O no hydrogen 3.093 N/A LYS 385.A NZ ASN 409.A OD1 no hydrogen 2.743 N/A THR 386.A N THR 326.A OG1 no hydrogen 2.990 N/A ALA 387.A N LEU 404.A O no hydrogen 2.781 N/A ILE 389.A N ILE 402.A O no hydrogen 2.860 N/A LEU 390.A N GLU 322.A O no hydrogen 2.807 N/A TYR 391.A N GLN 400.A O no hydrogen 2.739 N/A HIS 392.A N ASP 319.A O no hydrogen 2.798 N/A ILE 402.A N ILE 389.A O no hydrogen 2.872 N/A ALA 403.A N THR 424.A O no hydrogen 2.846 N/A LEU 404.A N ALA 387.A O no hydrogen 2.963 N/A LEU 405.A N LEU 423.A O no hydrogen 2.987 N/A SER 406.A OG GLY 408.A O no hydrogen 2.879 N/A SER 406.A OG THR 421.A O no hydrogen 3.408 N/A SER 406.A OG THR 422.A OG1 no hydrogen 3.062 N/A THR 407.A N THR 421.A O no hydrogen 2.946 N/A THR 407.A OG1 ASP 420.A OD1 no hydrogen 2.822 N/A THR 407.A OG1 THR 421.A O no hydrogen 3.561 N/A GLY 408.A N SER 406.A OG no hydrogen 3.254 N/A THR 413.A OG1 ASN 411.A O no hydrogen 3.339 N/A THR 414.A OG1 ARG 416.A O no hydrogen 3.009 N/A ARG 416.A NH1 ASP 531.A O no hydrogen 3.211 N/A SER 419.A N LEU 533.A O no hydrogen 2.839 N/A ASP 420.A N VAL 300.A O no hydrogen 3.035 N/A THR 421.A N THR 407.A OG1 no hydrogen 2.766 N/A THR 421.A OG1 SER 536.A OG no hydrogen 3.049 N/A THR 422.A N ILE 298.A O no hydrogen 2.907 N/A THR 422.A OG1 SER 406.A OG no hydrogen 3.062 N/A LEU 423.A N LEU 405.A O no hydrogen 2.753 N/A THR 424.A OG1 ASP 295.A OD1 no hydrogen 2.650 N/A ASN 426.A N THR 424.A OG1 no hydrogen 3.251 N/A ASP 428.A N ASN 426.A OD1 no hydrogen 2.776 N/A ILE 429.A N ASN 426.A OD1 no hydrogen 3.064 N/A VAL 430.A N ASN 426.A O no hydrogen 2.833 N/A HIS 431.A N THR 427.A O no hydrogen 3.207 N/A ASP 432.A N ASP 428.A O no hydrogen 3.028 N/A VAL 433.A N ILE 429.A O no hydrogen 2.855 N/A TYR 434.A N VAL 430.A O no hydrogen 3.014 N/A ARG 435.A N HIS 431.A O no hydrogen 2.761 N/A ARG 435.A NE GLU 445.A OE1 no hydrogen 3.093 N/A LEU 436.A N ASP 432.A O no hydrogen 2.763 N/A PHE 437.A N VAL 433.A O no hydrogen 2.988 N/A ARG 438.A N TYR 434.A O no hydrogen 3.297 N/A ARG 438.A NE GLU 445.A OE2 no hydrogen 2.709 N/A ARG 438.A NH2 PRO 444.A O no hydrogen 2.602 N/A ILE 439.A N ARG 435.A O no hydrogen 3.019 N/A LEU 440.A N LEU 436.A O no hydrogen 2.871 N/A ASP 441.A N PHE 437.A O no hydrogen 2.792 N/A GLY 442.A N ILE 439.A O no hydrogen 3.025 N/A ASP 443.A N ARG 438.A O no hydrogen 2.915 N/A ARG 448.A N PRO 446.A O no hydrogen 2.867 N/A SER 450.A N ASP 432.A OD1 no hydrogen 2.919 N/A ARG 451.A N ASP 432.A OD2 no hydrogen 2.810 N/A LEU 452.A N ASP 432.A OD2 no hydrogen 2.965 N/A LEU 453.A N ALA 567.A O no hydrogen 2.780 N/A VAL 454.A N ASN 458.A OD1 no hydrogen 2.721 N/A ALA 455.A N GLU 565.A O no hydrogen 3.228 N/A ARG 456.A NE TYR 561.A O no hydrogen 3.257 N/A TYR 457.A N VAL 454.A O no hydrogen 3.201 N/A ASN 458.A ND2 LEU 452.A O no hydrogen 2.829 N/A ALA 461.A N ASN 458.A O no hydrogen 3.096 N/A THR 463.A N GLY 459.A O no hydrogen 3.073 N/A THR 463.A OG1 GLY 459.A O no hydrogen 3.405 N/A THR 463.A OG1 GLN 494.A OE1 no hydrogen 3.387 N/A ASN 464.A N GLU 460.A O no hydrogen 2.713 N/A LEU 465.A N ALA 461.A O no hydrogen 2.889 N/A ILE 466.A N ILE 462.A O no hydrogen 3.076 N/A GLU 467.A N THR 463.A O no hydrogen 2.867 N/A ARG 468.A N ASN 464.A O no hydrogen 2.821 N/A ARG 468.A NH1 GLU 548.A OE2 no hydrogen 3.350 N/A ARG 468.A NH2 GLU 548.A OE2 no hydrogen 2.821 N/A GLU 469.A N ILE 466.A O no hydrogen 3.132 N/A ILE 470.A N ILE 466.A O no hydrogen 3.219 N/A GLU 471.A N GLU 467.A O no hydrogen 2.930 N/A ASN 472.A N ARG 468.A O no hydrogen 3.085 N/A VAL 473.A N GLU 469.A O no hydrogen 3.292 N/A VAL 473.A N ILE 470.A O no hydrogen 3.207 N/A LYS 474.A N ILE 470.A O no hydrogen 3.307 N/A ARG 475.A N GLU 471.A O no hydrogen 2.935 N/A GLY 476.A N VAL 473.A O no hydrogen 2.963 N/A LYS 477.A N ASN 472.A O no hydrogen 2.686 N/A TYR 480.A N GLU 469.A OE1 no hydrogen 3.072 N/A TYR 480.A OH ASP 506.A OD2 no hydrogen 2.840 N/A LEU 482.A N ASP 506.A O no hydrogen 2.886 N/A LYS 483.A N ILE 538.A O no hydrogen 2.869 N/A LYS 483.A NZ GLU 534.A OE1 no hydrogen 2.920 N/A LYS 483.A NZ GLN 586.A OE1 no hydrogen 2.765 N/A ASN 484.A N ASP 555.A OD1 no hydrogen 2.977 N/A LEU 486.A N ILE 512.A O no hydrogen 2.810 N/A GLN 487.A N TRP 556.A O no hydrogen 3.000 N/A ASP 488.A N TRP 556.A O no hydrogen 3.096 N/A VAL 491.A N ASP 488.A OD2 no hydrogen 2.947 N/A ILE 492.A N ASP 488.A O no hydrogen 2.996 N/A THR 493.A N LYS 489.A O no hydrogen 2.992 N/A THR 493.A OG1 LYS 489.A O no hydrogen 2.545 N/A GLN 494.A N ASN 490.A O no hydrogen 3.037 N/A LEU 495.A N VAL 491.A O no hydrogen 2.972 N/A TYR 496.A N ILE 492.A O no hydrogen 2.905 N/A TYR 496.A OH PRO 4.A O no hydrogen 2.766 N/A ARG 497.A N THR 493.A O no hydrogen 2.901 N/A ARG 497.A NH2 GLU 467.A OE2 no hydrogen 2.590 N/A ALA 498.A N GLN 494.A O no hydrogen 2.786 N/A SER 499.A N LEU 495.A O no hydrogen 2.826 N/A SER 499.A OG GLN 520.A O no hydrogen 3.486 N/A GLU 500.A N TYR 496.A O no hydrogen 2.883 N/A ALA 501.A N ARG 497.A O no hydrogen 2.901 N/A GLY 502.A N SER 499.A O no hydrogen 2.787 N/A VAL 503.A N ALA 498.A O no hydrogen 2.793 N/A GLU 504.A N GLY 479.A O no hydrogen 2.804 N/A ILE 505.A N ASN 523.A O no hydrogen 2.857 N/A LEU 507.A N ARG 525.A O no hydrogen 2.866 N/A ILE 508.A N LEU 482.A O no hydrogen 2.773 N/A VAL 509.A N THR 527.A O no hydrogen 2.851 N/A GLY 511.A N ASN 484.A O no hydrogen 2.886 N/A CYS 513.A N SER 10.A OG no hydrogen 2.711 N/A CYS 513.A SG LEU 515.A O no hydrogen 3.800 N/A CYS 514.A N LEU 486.A O no hydrogen 2.950 N/A CYS 514.A SG PHE 6.A O no hydrogen 3.587 N/A CYS 514.A SG LEU 486.A O no hydrogen 4.025 N/A VAL 516.A N TYR 496.A OH no hydrogen 2.839 N/A SER 521.A OG VAL 516.A O no hydrogen 2.952 N/A ARG 522.A N PRO 519.A O no hydrogen 3.345 N/A ASN 523.A N SER 499.A OG no hydrogen 2.831 N/A ASN 523.A ND2 SER 499.A O no hydrogen 2.769 N/A ILE 524.A N SER 521.A O no hydrogen 2.839 N/A ARG 525.A N ILE 505.A O no hydrogen 2.735 N/A THR 527.A N LEU 507.A O no hydrogen 2.681 N/A ARG 528.A N CYS 594.A O no hydrogen 2.787 N/A ARG 528.A NE ARG 510.A O no hydrogen 2.862 N/A ARG 528.A NH1 SER 13.A OG no hydrogen 3.217 N/A ARG 528.A NH1 ASN 602.A OD1 no hydrogen 2.492 N/A ARG 528.A NH2 GLY 511.A O no hydrogen 2.979 N/A LEU 533.A N ILE 417.A O no hydrogen 2.829 N/A HIS 535.A N SER 419.A O no hydrogen 3.183 N/A HIS 535.A ND1 ASP 420.A OD1 no hydrogen 2.675 N/A SER 536.A OG THR 421.A OG1 no hydrogen 3.049 N/A ARG 537.A NE ASP 555.A OD1 no hydrogen 2.756 N/A ARG 537.A NH2 ASP 555.A OD2 no hydrogen 3.212 N/A ILE 538.A N LYS 483.A O no hydrogen 2.833 N/A TRP 539.A N PHE 550.A O no hydrogen 2.783 N/A CYS 540.A N LEU 481.A O no hydrogen 2.744 N/A PHE 541.A N GLU 548.A O no hydrogen 2.954 N/A HIS 542.A N TYR 480.A O no hydrogen 3.024 N/A HIS 542.A ND1 GLU 547.A OE2.A no hydrogen 3.010 N/A ASN 543.A N GLU 469.A OE2 no hydrogen 2.725 N/A ASN 543.A ND2 LYS 546.A O no hydrogen 3.326 N/A GLY 545.A N ASN 543.A O no hydrogen 2.684 N/A LYS 546.A N ASN 543.A O no hydrogen 3.019 N/A GLU 548.A N PHE 541.A O no hydrogen 3.009 N/A PHE 550.A N TRP 539.A O no hydrogen 2.634 N/A ILE 551.A N CYS 568.A O no hydrogen 2.846 N/A SER 552.A N ARG 537.A O no hydrogen 2.774 N/A SER 552.A OG THR 566.A O no hydrogen 2.748 N/A SER 553.A N THR 566.A O no hydrogen 2.891 N/A SER 553.A OG GLU 565.A OE1 no hydrogen 2.823 N/A SER 553.A OG THR 566.A O no hydrogen 3.284 N/A ALA 554.A N SER 552.A OG no hydrogen 2.924 N/A TRP 556.A N GLY 485.A O no hydrogen 3.156 N/A ASN 559.A ND2 ASP 555.A O no hydrogen 2.916 N/A ASN 562.A N ARG 558.A O no hydrogen 3.039 N/A ARG 563.A N ARG 558.A O no hydrogen 3.329 N/A ARG 563.A NE GLU 565.A OE2 no hydrogen 2.824 N/A ILE 564.A N LYS 381.A O no hydrogen 3.123 N/A THR 566.A N SER 553.A OG no hydrogen 2.832 N/A ALA 567.A N LEU 453.A O no hydrogen 2.749 N/A CYS 568.A N ILE 551.A O no hydrogen 2.838 N/A CYS 568.A SG PRO 569.A O no hydrogen 3.634 N/A VAL 570.A N VAL 549.A O no hydrogen 2.823 N/A THR 574.A OG1 ASP 572.A OD1 no hydrogen 2.732 N/A LEU 575.A N ASP 572.A OD1 no hydrogen 3.272 N/A ARG 576.A N ASP 572.A O no hydrogen 2.952 N/A ARG 576.A NE GLU 547.A OE1.B no hydrogen 2.795 N/A ARG 576.A NH1 VAL 570.A O no hydrogen 3.221 N/A ARG 576.A NH1 LEU 571.A O no hydrogen 2.848 N/A ARG 576.A NH2 GLU 547.A OE1.B no hydrogen 3.250 N/A ARG 577.A N PRO 573.A O no hydrogen 2.931 N/A ARG 577.A NH2 GLU 547.A OE1.A no hydrogen 3.544 N/A GLU 578.A N THR 574.A O no hydrogen 3.030 N/A ILE 579.A N LEU 575.A O no hydrogen 3.167 N/A ILE 580.A N ARG 576.A O no hydrogen 3.340 N/A ASP 581.A N ARG 577.A O no hydrogen 2.912 N/A ILE 582.A N GLU 578.A O no hydrogen 2.877 N/A LEU 583.A N ILE 579.A O no hydrogen 2.790 N/A GLU 584.A N ILE 580.A O no hydrogen 2.780 N/A ILE 585.A N ASP 581.A O no hydrogen 2.829 N/A GLN 586.A N ILE 582.A O no hydrogen 2.868 N/A GLN 586.A NE2 GLU 534.A OE1 no hydrogen 2.722 N/A LEU 587.A N LEU 583.A O no hydrogen 2.904 N/A ARG 588.A N ILE 585.A O no hydrogen 3.109 N/A ASP 589.A N GLN 586.A O no hydrogen 3.122 N/A ASN 590.A N VAL 613.A O no hydrogen 2.915 N/A ASN 590.A ND2 GLU 610.A OE2 no hydrogen 3.413 N/A ASN 590.A ND2 LYS 611.A O no hydrogen 3.106 N/A ILE 591.A N ASP 589.A OD2 no hydrogen 2.754 N/A LYS 592.A N ASP 589.A OD2 no hydrogen 2.747 N/A LYS 592.A NZ GLU 20.A OE1 no hydrogen 3.221 N/A LYS 592.A NZ GLU 20.A OE2 no hydrogen 3.464 N/A LYS 592.A NZ ASP 531.A OD1 no hydrogen 3.023 N/A ALA 593.A N ASP 589.A OD2 no hydrogen 2.812 N/A CYS 594.A N ARG 528.A O no hydrogen 2.881 N/A CYS 594.A SG LYS 592.A O no hydrogen 3.837 N/A ARG 595.A N ILE 603.A O no hydrogen 2.641 N/A ILE 596.A N VAL 526.A O no hydrogen 3.239 N/A ASP 597.A N ASN 601.A O no hydrogen 3.322 N/A SER 599.A N ASP 597.A OD1 no hydrogen 2.756 N/A LEU 600.A N ASP 597.A O no hydrogen 3.082 N/A ASN 601.A N ASP 597.A OD1 no hydrogen 2.984 N/A ASN 601.A ND2 ASP 597.A OD1 no hydrogen 3.359 N/A ASN 601.A ND2 ASP 597.A OD2 no hydrogen 3.559 N/A ASN 602.A ND2 SER 13.A O no hydrogen 2.820 N/A ILE 603.A N ARG 595.A O no hydrogen 2.860 N/A LYS 605.A N ALA 593.A O no hydrogen 3.024 N/A LYS 605.A NZ THR 527.A OG1 no hydrogen 2.951 N/A HIS 606.A ND1 ASN 590.A O no hydrogen 2.907 N/A GLU 610.A N ASN 607.A O no hydrogen 3.106 N/A VAL 613.A N ASN 590.A OD1 no hydrogen 2.585 N/A ARG 614.A NE ASP 531.A OD2 no hydrogen 3.031 N/A ALA 615.A N ASP 589.A OD1 no hydrogen 2.758 N/A GLN 616.A NE2 TYR 532.A O no hydrogen 3.061 N/A GLN 616.A NE2 GLU 534.A OE2 no hydrogen 2.767 N/A ALA 618.A N ARG 614.A O no hydrogen 2.871 N/A ILE 619.A N ALA 615.A O no hydrogen 2.842 N/A TYR 620.A OH GLU 275.A O no hydrogen 2.603 N/A ARG 621.A N ALA 617.A O no hydrogen 3.148 N/A TYR 622.A N ALA 618.A O no hydrogen 2.837 N/A TYR 622.A OH ASP 581.A OD2 no hydrogen 2.732 N/A LEU 623.A N ILE 619.A O no hydrogen 2.994 N/A LYS 624.A N TYR 620.A O no hydrogen 2.918 N/A GLY 625.A N ARG 621.A O no hydrogen 2.746 N/A LYS 626.A N TYR 622.A O no hydrogen 3.068 N/A LYS 626.A NZ GLU 578.A OE2 no hydrogen 2.908 N/A GLU 627.A N LEU 623.A O no hydrogen 3.287 N/A GLU 627.A N LYS 624.A O no hydrogen 2.979 N/A GLU 628.A N LYS 624.A O no hydrogen 3.204 N/A GLU 628.A N GLY 625.A O no hydrogen 3.016 N/A THR 629.A N LYS 626.A O no hydrogen 3.185 N/A THR 629.A OG1 GLY 625.A O no hydrogen 3.072 N/A THR 629.A OG1 LYS 626.A O no hydrogen 3.225 N/A THR 630.A OG1 GLU 627.A O no hydrogen 3.332 N/A