Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8htu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 7.A N ALA 174.A O no hydrogen 2.849 N/A ASP 9.A N LYS 172.A O no hydrogen 2.716 N/A GLU 16.A N SER 14.A OG no hydrogen 3.354 N/A TRP 18.A N PHE 15.A O no hydrogen 3.055 N/A LYS 20.A N LYS 17.A O no hydrogen 3.229 N/A HIS 23.A ND1 LYS 20.A O no hydrogen 3.192 N/A SER 25.A N GLY 22.A O no hydrogen 3.385 N/A LEU 28.A N SER 25.A OG no hydrogen 3.128 N/A ALA 29.A N SER 25.A O no hydrogen 3.184 N/A ASN 33.A N GLY 31.A O no hydrogen 3.119 N/A THR 35.A N GLN 705.A O no hydrogen 3.006 N/A THR 35.A OG1 GLN 705.A O no hydrogen 3.363 N/A TRP 37.A NE1 LEU 28.A O no hydrogen 2.803 N/A ILE 38.A N THR 35.A O no hydrogen 2.939 N/A ASN 40.A N THR 36.A O no hydrogen 2.834 N/A LEU 41.A N TRP 37.A O no hydrogen 2.734 N/A HIS 42.A N ILE 38.A O no hydrogen 3.362 N/A HIS 42.A N TRP 39.A O no hydrogen 2.957 N/A HIS 42.A ND1 ILE 38.A O no hydrogen 3.022 N/A ALA 43.A N ASN 40.A O no hydrogen 2.966 N/A ASP 44.A N ASN 40.A O no hydrogen 3.117 N/A SER 50.A N ASP 47.A O no hydrogen 3.177 N/A SER 50.A OG ASP 47.A OD2 no hydrogen 2.295 N/A HIS 51.A N PHE 48.A O no hydrogen 3.141 N/A HIS 51.A NE2 ASP 44.A O no hydrogen 2.618 N/A ILE 58.A N ASP 54.A O no hydrogen 3.274 N/A SER 59.A N LEU 55.A O no hydrogen 2.901 N/A SER 59.A OG LEU 55.A O no hydrogen 2.623 N/A ARG 60.A N GLU 56.A O no hydrogen 2.938 N/A ARG 60.A NE PRO 175.A O no hydrogen 2.962 N/A ARG 60.A NH1 GLU 7.A OE1 no hydrogen 3.054 N/A ARG 60.A NH2 GLU 7.A OE1 no hydrogen 2.819 N/A LYS 61.A N GLU 57.A O no hydrogen 2.936 N/A LYS 61.A NZ GLU 57.A OE2 no hydrogen 2.927 N/A LYS 61.A NZ TYR 170.A OH no hydrogen 3.504 N/A VAL 62.A N ILE 58.A O no hydrogen 2.908 N/A PHE 63.A N SER 59.A O no hydrogen 2.924 N/A SER 64.A N ARG 60.A O no hydrogen 3.005 N/A SER 64.A OG ARG 60.A O no hydrogen 3.212 N/A SER 64.A OG GLY 166.A O no hydrogen 3.478 N/A ALA 65.A N LYS 61.A O no hydrogen 2.871 N/A HIS 66.A N VAL 62.A O no hydrogen 2.917 N/A PHE 67.A N PHE 63.A O no hydrogen 3.001 N/A GLY 68.A N SER 64.A O no hydrogen 2.934 N/A GLN 69.A N ALA 65.A O no hydrogen 2.905 N/A GLN 69.A NE2 GLN 69.A O no hydrogen 2.963 N/A LEU 70.A N HIS 66.A O no hydrogen 2.914 N/A ALA 71.A N PHE 67.A O no hydrogen 2.940 N/A VAL 72.A N GLY 68.A O no hydrogen 2.936 N/A ILE 73.A N GLN 69.A O no hydrogen 2.913 N/A PHE 74.A N LEU 70.A O no hydrogen 2.901 N/A ILE 75.A N ALA 71.A O no hydrogen 2.927 N/A TRP 76.A N VAL 72.A O no hydrogen 2.934 N/A LEU 77.A N ILE 73.A O no hydrogen 2.914 N/A SER 78.A N PHE 74.A O no hydrogen 2.877 N/A SER 78.A OG ALA 152.A O no hydrogen 2.501 N/A GLY 79.A N ILE 75.A O no hydrogen 2.887 N/A MET 80.A N TRP 76.A O no hydrogen 2.965 N/A TYR 81.A N LEU 77.A O no hydrogen 2.948 N/A PHE 82.A N SER 78.A O no hydrogen 2.866 N/A HIS 83.A N GLY 79.A O no hydrogen 2.915 N/A GLY 84.A N MET 80.A O no hydrogen 2.916 N/A ALA 85.A N TYR 81.A O no hydrogen 2.892 N/A ARG 86.A N PHE 82.A O no hydrogen 2.952 N/A SER 88.A OG SER 103.A O no hydrogen 3.027 N/A ASN 89.A N SER 103.A O no hydrogen 3.293 N/A ASN 89.A ND2 LYS 101.A O no hydrogen 3.172 N/A ASN 89.A ND2 GLY 121.A O no hydrogen 3.422 N/A TYR 90.A OH ILE 142.A O no hydrogen 2.456 N/A TRP 93.A N ASN 89.A O no hydrogen 2.926 N/A LEU 94.A N TYR 90.A O no hydrogen 2.874 N/A SER 95.A N GLU 91.A O no hydrogen 2.948 N/A ASP 96.A N ALA 92.A O no hydrogen 3.048 N/A THR 98.A OG1 ASP 96.A OD1 no hydrogen 3.223 N/A LYS 101.A N VAL 120.A O no hydrogen 2.831 N/A LYS 101.A NZ GLY 742.A OXT no hydrogen 3.108 N/A SER 103.A N ASN 89.A OD1 no hydrogen 3.110 N/A SER 103.A OG ILE 127.A O no hydrogen 2.494 N/A VAL 107.A N ASN 117.A OD1 no hydrogen 3.062 N/A GLN 113.A NE2 TRP 108.A O no hydrogen 2.719 N/A ILE 115.A N GLY 112.A O no hydrogen 3.288 N/A LEU 116.A N GLN 113.A O no hydrogen 2.881 N/A ASN 117.A N LYS 114.A O no hydrogen 3.086 N/A ASN 117.A ND2 VAL 107.A O no hydrogen 3.251 N/A GLY 118.A N LEU 116.A O no hydrogen 2.883 N/A GLN 125.A NE2 ASP 119.A OD1 no hydrogen 3.196 N/A GLY 126.A N GLY 118.A O no hydrogen 3.278 N/A ILE 127.A N GLN 105.A O no hydrogen 2.606 N/A ILE 129.A N PRO 102.A O no hydrogen 2.965 N/A THR 130.A OG1 SER 378.A OG no hydrogen 3.217 N/A GLN 135.A N GLN 135.A OE1 no hydrogen 3.018 N/A GLN 135.A NE2 TYR 368.A O no hydrogen 3.013 N/A GLN 135.A NE2 ASP 372.A OD2 no hydrogen 2.982 N/A LEU 136.A N GLY 132.A O no hydrogen 3.061 N/A TRP 137.A N PHE 133.A O no hydrogen 2.906 N/A ARG 138.A N PHE 134.A O no hydrogen 2.901 N/A ALA 139.A N GLN 135.A O no hydrogen 2.895 N/A SER 140.A N LEU 136.A O no hydrogen 2.919 N/A SER 140.A OG LEU 136.A O no hydrogen 2.744 N/A GLY 141.A N ARG 138.A O no hydrogen 3.309 N/A ILE 142.A N TRP 137.A O no hydrogen 2.920 N/A THR 143.A N GLN 147.A OE1 no hydrogen 3.309 N/A GLU 145.A N GLU 91.A OE2 no hydrogen 3.197 N/A TYR 149.A N GLU 145.A O no hydrogen 2.903 N/A THR 150.A N LEU 146.A O no hydrogen 2.933 N/A THR 151.A N GLN 147.A O no hydrogen 2.939 N/A THR 151.A OG1 GLN 147.A O no hydrogen 2.700 N/A ALA 152.A N LEU 148.A O no hydrogen 2.898 N/A ILE 153.A N TYR 149.A O no hydrogen 2.905 N/A GLY 154.A N THR 150.A O no hydrogen 2.926 N/A GLY 155.A N THR 151.A O no hydrogen 2.857 N/A LEU 156.A N ALA 152.A O no hydrogen 2.918 N/A ILE 157.A N ILE 153.A O no hydrogen 2.931 N/A PHE 158.A N GLY 154.A O no hydrogen 2.861 N/A ALA 159.A N GLY 155.A O no hydrogen 2.869 N/A ALA 160.A N LEU 156.A O no hydrogen 2.952 N/A LEU 161.A N ILE 157.A O no hydrogen 2.871 N/A MET 162.A N PHE 158.A O no hydrogen 2.853 N/A LEU 163.A N ALA 159.A O no hydrogen 2.921 N/A PHE 164.A N ALA 160.A O no hydrogen 2.912 N/A ALA 165.A N LEU 161.A O no hydrogen 2.857 N/A GLY 166.A N MET 162.A O no hydrogen 2.921 N/A TRP 167.A N LEU 163.A O no hydrogen 3.025 N/A TRP 167.A NE1 THR 13.A OG1 no hydrogen 2.983 N/A PHE 168.A N PHE 164.A O no hydrogen 2.821 N/A HIS 169.A N ALA 165.A O no hydrogen 2.900 N/A HIS 169.A ND1 ALA 173.A O no hydrogen 3.212 N/A TYR 170.A N GLY 166.A O no hydrogen 2.997 N/A TYR 170.A N TRP 167.A O no hydrogen 3.343 N/A TYR 170.A OH GLU 57.A OE2 no hydrogen 2.389 N/A HIS 171.A N TRP 167.A O no hydrogen 2.877 N/A LYS 172.A N PHE 168.A O no hydrogen 3.032 N/A LYS 172.A NZ ASP 9.A OD1 no hydrogen 3.362 N/A LYS 172.A NZ ASP 9.A OD2 no hydrogen 3.224 N/A ALA 173.A N PHE 168.A O no hydrogen 2.754 N/A ALA 174.A N GLU 7.A O no hydrogen 2.947 N/A LYS 176.A N MET 5.A O no hydrogen 3.003 N/A LEU 177.A N GLU 56.A OE2 no hydrogen 2.927 N/A PHE 180.A N LYS 176.A O no hydrogen 3.382 N/A GLN 181.A N LEU 177.A O no hydrogen 2.998 N/A GLN 181.A NE2 THR 335.A O no hydrogen 3.067 N/A ASN 182.A N TRP 179.A O no hydrogen 3.493 N/A VAL 183.A N GLN 181.A O no hydrogen 2.870 N/A GLU 184.A N GLU 184.A OE1 no hydrogen 3.012 N/A SER 185.A OG HIS 189.A ND1 no hydrogen 3.242 N/A MET 186.A N ASN 182.A O no hydrogen 3.122 N/A LEU 187.A N VAL 183.A O no hydrogen 2.899 N/A ASN 188.A N GLU 184.A O no hydrogen 2.928 N/A ASN 188.A ND2 TYR 301.A O no hydrogen 2.729 N/A HIS 189.A N SER 185.A O no hydrogen 2.920 N/A HIS 189.A ND1 SER 185.A O no hydrogen 2.724 N/A HIS 190.A N MET 186.A O no hydrogen 2.898 N/A LEU 191.A N LEU 187.A O no hydrogen 2.903 N/A ALA 192.A N ASN 188.A O no hydrogen 2.924 N/A GLY 193.A N HIS 189.A O no hydrogen 2.792 N/A LEU 194.A N HIS 189.A O no hydrogen 2.982 N/A LEU 195.A N HIS 190.A O no hydrogen 3.210 N/A GLY 196.A N LEU 191.A O no hydrogen 2.953 N/A LEU 197.A N ALA 192.A O no hydrogen 3.092 N/A GLY 198.A N LEU 194.A O no hydrogen 3.228 N/A SER 199.A N LEU 195.A O no hydrogen 2.889 N/A SER 199.A OG LEU 195.A O no hydrogen 2.922 N/A LEU 200.A N GLY 196.A O no hydrogen 2.927 N/A ALA 201.A N LEU 197.A O no hydrogen 2.873 N/A TRP 202.A N GLY 198.A O no hydrogen 2.927 N/A ALA 203.A N SER 199.A O no hydrogen 2.875 N/A GLY 204.A N LEU 200.A O no hydrogen 2.904 N/A HIS 205.A N ALA 201.A O no hydrogen 2.936 N/A HIS 205.A NE2 SER 140.A O no hydrogen 2.900 N/A GLN 206.A N TRP 202.A O no hydrogen 2.892 N/A VAL 207.A N ALA 203.A O no hydrogen 2.870 N/A HIS 208.A N GLY 204.A O no hydrogen 2.952 N/A VAL 209.A N HIS 205.A O no hydrogen 2.622 N/A SER 210.A N HIS 205.A O no hydrogen 3.284 N/A SER 210.A OG ALA 139.A O no hydrogen 3.150 N/A LEU 211.A N GLN 206.A O no hydrogen 2.937 N/A ILE 213.A N VAL 209.A O no hydrogen 3.445 N/A ASN 214.A N SER 210.A O no hydrogen 2.862 N/A ASN 214.A ND2 ARG 138.A O no hydrogen 3.154 N/A ASN 214.A ND2 ALA 139.A O no hydrogen 3.153 N/A ASN 214.A ND2 SER 210.A O no hydrogen 2.876 N/A ARG 215.A N LEU 211.A O no hydrogen 2.903 N/A LEU 216.A N PRO 212.A O no hydrogen 2.947 N/A LEU 217.A N ILE 213.A O no hydrogen 2.888 N/A ASP 218.A N ASN 214.A O no hydrogen 2.881 N/A ALA 219.A N ARG 215.A O no hydrogen 3.175 N/A GLY 220.A N LEU 217.A O no hydrogen 3.197 N/A VAL 221.A N LEU 216.A O no hydrogen 3.238 N/A LYS 224.A N ASP 222.A OD1 no hydrogen 2.786 N/A GLU 225.A N ASP 222.A O no hydrogen 3.192 N/A ILE 226.A N PRO 223.A O no hydrogen 3.339 N/A LEU 228.A N GLU 231.A OE1 no hydrogen 3.038 N/A GLU 231.A N LEU 228.A O no hydrogen 2.882 N/A PHE 232.A N LEU 228.A O no hydrogen 3.302 N/A ILE 233.A N PRO 229.A O no hydrogen 2.956 N/A LEU 234.A N HIS 230.A O no hydrogen 2.869 N/A ASN 235.A N GLU 231.A O no hydrogen 2.995 N/A LEU 238.A N ASN 235.A O no hydrogen 3.099 N/A LEU 238.A N ASN 235.A OD1 no hydrogen 2.862 N/A ALA 240.A N ARG 236.A O no hydrogen 2.886 N/A GLN 241.A N ASP 237.A O no hydrogen 3.289 N/A LEU 242.A N LEU 239.A O no hydrogen 3.317 N/A TYR 243.A N LEU 239.A O no hydrogen 3.266 N/A PHE 246.A N TYR 243.A O no hydrogen 3.250 N/A SER 247.A N PRO 244.A O no hydrogen 2.909 N/A SER 247.A OG PRO 244.A O no hydrogen 2.495 N/A LYS 248.A N SER 245.A O no hydrogen 3.117 N/A THR 251.A OG1 LYS 248.A O no hydrogen 3.350 N/A PHE 254.A N LEU 250.A O no hydrogen 3.436 N/A THR 255.A N THR 251.A O no hydrogen 2.896 N/A THR 255.A OG1 THR 251.A O no hydrogen 2.556 N/A TRP 258.A NE1 PHE 253.A O no hydrogen 2.926 N/A GLU 260.A N ASN 257.A O no hydrogen 3.171 N/A TYR 261.A N TRP 258.A O no hydrogen 2.907 N/A SER 262.A N SER 259.A O no hydrogen 3.042 N/A SER 262.A OG SER 259.A O no hydrogen 2.586 N/A PHE 264.A N TYR 261.A O no hydrogen 3.339 N/A LEU 265.A N TYR 261.A O no hydrogen 2.976 N/A THR 266.A OG1 THR 281.A OG1 no hydrogen 2.569 N/A THR 266.A OG1 ASP 282.A OD1 no hydrogen 2.624 N/A ARG 268.A N ASP 282.A OD1 no hydrogen 2.704 N/A GLY 269.A N ASP 282.A OD2 no hydrogen 2.907 N/A ASN 272.A N GLY 277.A O no hydrogen 2.615 N/A ASN 272.A ND2 ASP 218.A OD2 no hydrogen 3.239 N/A VAL 274.A N ASN 272.A OD1 no hydrogen 3.368 N/A GLY 276.A N ASN 272.A O no hydrogen 2.663 N/A LEU 278.A N PRO 364.A O no hydrogen 2.890 N/A THR 281.A OG1 THR 266.A OG1 no hydrogen 2.569 N/A THR 283.A N TRP 279.A O no hydrogen 3.088 N/A THR 283.A OG1 TRP 279.A O no hydrogen 2.913 N/A ALA 284.A N LEU 280.A O no hydrogen 2.882 N/A HIS 285.A N THR 281.A O no hydrogen 2.966 N/A HIS 285.A ND1 THR 266.A O no hydrogen 3.262 N/A HIS 286.A N ASP 282.A O no hydrogen 2.838 N/A HIS 287.A N THR 283.A O no hydrogen 2.896 N/A HIS 287.A ND1 THR 283.A O no hydrogen 3.058 N/A LEU 288.A N ALA 284.A O no hydrogen 2.936 N/A ALA 289.A N HIS 285.A O no hydrogen 2.914 N/A ILE 290.A N HIS 286.A O no hydrogen 2.939 N/A ALA 291.A N HIS 287.A O no hydrogen 2.877 N/A VAL 292.A N LEU 288.A O no hydrogen 2.965 N/A LEU 293.A N ALA 289.A O no hydrogen 2.914 N/A PHE 294.A N ILE 290.A O no hydrogen 2.861 N/A LEU 295.A N ALA 291.A O no hydrogen 2.899 N/A VAL 296.A N VAL 292.A O no hydrogen 2.932 N/A ALA 297.A N LEU 293.A O no hydrogen 2.886 N/A GLY 298.A N PHE 294.A O no hydrogen 2.894 N/A HIS 299.A N VAL 296.A O no hydrogen 3.210 N/A HIS 299.A ND1 LEU 295.A O no hydrogen 2.495 N/A TYR 301.A N ASN 188.A OD1 no hydrogen 3.312 N/A ARG 302.A N HIS 309.A O no hydrogen 3.158 N/A THR 303.A OG1 ASN 304.A OD1 no hydrogen 3.438 N/A ASN 304.A N THR 303.A OG1 no hydrogen 2.607 N/A ASN 304.A ND2 VAL 2.A O no hydrogen 2.894 N/A MET 311.A N GLU 184.A OE2 no hydrogen 2.979 N/A ILE 314.A N SER 310.A O no hydrogen 2.937 N/A LEU 315.A N MET 311.A O no hydrogen 2.905 N/A GLU 316.A N LYS 312.A O no hydrogen 2.925 N/A ALA 317.A N GLU 313.A O no hydrogen 3.231 N/A ALA 317.A N ILE 314.A O no hydrogen 3.364 N/A HIS 318.A N LEU 315.A O no hydrogen 3.099 N/A HIS 318.A ND1 ILE 314.A O no hydrogen 2.617 N/A LYS 319.A NZ GLU 316.A O no hydrogen 3.229 N/A GLY 320.A N THR 323.A OG1 no hydrogen 3.274 N/A THR 323.A OG1 GLY 320.A O no hydrogen 3.508 N/A GLU 325.A N ASN 413.A O no hydrogen 2.974 N/A HIS 327.A N HIS 318.A O no hydrogen 3.284 N/A HIS 327.A ND1 HIS 318.A O no hydrogen 2.834 N/A TYR 331.A OH GLU 184.A OE1 no hydrogen 2.946 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.701 N/A ILE 333.A N GLY 329.A O no hydrogen 3.254 N/A LEU 334.A N LEU 330.A O no hydrogen 2.911 N/A THR 335.A N TYR 331.A O no hydrogen 2.893 N/A THR 335.A OG1 TYR 331.A O no hydrogen 2.443 N/A THR 335.A OG1 GLU 332.A O no hydrogen 3.498 N/A THR 336.A OG1 GLU 332.A O no hydrogen 2.300 N/A SER 337.A N ILE 333.A O no hydrogen 3.018 N/A SER 337.A OG ASP 405.A OD2 no hydrogen 2.704 N/A TRP 338.A NE1 SER 59.A OG no hydrogen 3.045 N/A HIS 339.A ND1 HIS 397.A ND1 no hydrogen 3.241 N/A ALA 340.A N SER 337.A OG no hydrogen 3.285 N/A LEU 342.A N TRP 338.A O no hydrogen 2.912 N/A ALA 343.A N HIS 339.A O no hydrogen 2.864 N/A ILE 344.A N ALA 340.A O no hydrogen 2.997 N/A ASN 345.A N GLN 341.A O no hydrogen 2.891 N/A LEU 346.A N LEU 342.A O no hydrogen 2.818 N/A ALA 347.A N ALA 343.A O no hydrogen 2.963 N/A MET 348.A N ILE 344.A O no hydrogen 2.968 N/A LEU 349.A N ASN 345.A O no hydrogen 2.833 N/A GLY 350.A N LEU 346.A O no hydrogen 2.892 N/A SER 351.A N ALA 347.A O no hydrogen 2.980 N/A SER 351.A OG ALA 347.A O no hydrogen 3.104 N/A LEU 352.A N MET 348.A O no hydrogen 2.834 N/A THR 353.A N LEU 349.A O no hydrogen 2.853 N/A THR 353.A OG1 LEU 349.A O no hydrogen 2.585 N/A ILE 354.A N GLY 350.A O no hydrogen 2.973 N/A ILE 355.A N SER 351.A O no hydrogen 2.906 N/A VAL 356.A N LEU 352.A O no hydrogen 2.863 N/A ALA 357.A N THR 353.A O no hydrogen 2.897 N/A HIS 358.A N ILE 354.A O no hydrogen 2.958 N/A HIS 359.A N ILE 355.A O no hydrogen 2.868 N/A HIS 359.A N VAL 356.A O no hydrogen 3.244 N/A MET 360.A N VAL 356.A O no hydrogen 2.918 N/A MET 363.A N HIS 359.A O no hydrogen 3.149 N/A TYR 368.A N THR 275.A O no hydrogen 2.886 N/A ASP 372.A N LEU 369.A O no hydrogen 3.223 N/A TYR 373.A OH VAL 511.A O no hydrogen 2.713 N/A TYR 373.A OH GLY 610.A O no hydrogen 2.886 N/A THR 375.A OG1 ASP 372.A OD2 no hydrogen 2.893 N/A GLN 376.A N ASP 372.A O no hydrogen 3.091 N/A GLN 376.A NE2 MET 360.A O no hydrogen 3.550 N/A LEU 377.A N TYR 373.A O no hydrogen 2.915 N/A SER 378.A N ALA 374.A O no hydrogen 2.913 N/A SER 378.A OG THR 130.A OG1 no hydrogen 3.217 N/A SER 378.A OG ALA 374.A O no hydrogen 2.780 N/A LEU 379.A N THR 375.A O no hydrogen 2.879 N/A PHE 380.A N GLN 376.A O no hydrogen 2.974 N/A THR 381.A N LEU 377.A O no hydrogen 2.951 N/A THR 381.A OG1 LEU 377.A O no hydrogen 3.067 N/A HIS 382.A N SER 378.A O no hydrogen 2.863 N/A HIS 383.A N LEU 379.A O no hydrogen 2.975 N/A MET 384.A N PHE 380.A O no hydrogen 2.921 N/A TRP 385.A N THR 381.A O no hydrogen 2.972 N/A ILE 386.A N HIS 382.A O no hydrogen 2.941 N/A GLY 387.A N HIS 383.A O no hydrogen 2.920 N/A GLY 388.A N MET 384.A O no hydrogen 2.957 N/A PHE 389.A N TRP 385.A O no hydrogen 2.974 N/A LEU 390.A N ILE 386.A O no hydrogen 2.960 N/A VAL 391.A N GLY 387.A O no hydrogen 2.948 N/A VAL 392.A N GLY 388.A O no hydrogen 3.023 N/A GLY 393.A N PHE 389.A O no hydrogen 2.920 N/A ALA 394.A N LEU 390.A O no hydrogen 2.885 N/A ALA 395.A N VAL 391.A O no hydrogen 3.023 N/A ALA 396.A N VAL 392.A O no hydrogen 2.943 N/A HIS 397.A N GLY 393.A O no hydrogen 2.936 N/A HIS 397.A ND1 HIS 339.A ND1 no hydrogen 3.241 N/A ALA 398.A N ALA 394.A O no hydrogen 2.918 N/A ALA 399.A N ALA 395.A O no hydrogen 2.994 N/A ILE 400.A N ALA 396.A O no hydrogen 2.912 N/A PHE 401.A N HIS 397.A O no hydrogen 2.904 N/A MET 402.A N ALA 398.A O no hydrogen 2.937 N/A VAL 403.A N ALA 399.A O no hydrogen 2.918 N/A ARG 404.A N ILE 400.A O no hydrogen 2.924 N/A ARG 404.A NH1 ASP 47.A OD1 no hydrogen 3.368 N/A ARG 404.A NH1 ASP 47.A OD2 no hydrogen 3.317 N/A ASP 405.A N PHE 401.A O no hydrogen 2.852 N/A THR 409.A OG1 ASP 407.A OD2 no hydrogen 3.280 N/A GLN 411.A N PRO 408.A O no hydrogen 3.127 N/A GLN 411.A NE2 GLY 329.A O no hydrogen 3.192 N/A ASN 413.A N ASP 417.A OD2 no hydrogen 3.182 N/A ASN 414.A ND2 LYS 328.A O no hydrogen 3.597 N/A LEU 415.A N GLY 326.A O no hydrogen 3.346 N/A ASP 417.A N ASN 414.A OD1 no hydrogen 3.381 N/A ARG 418.A N ASN 414.A O no hydrogen 3.096 N/A ARG 418.A NH1 ASN 413.A OD1 no hydrogen 2.887 N/A ARG 418.A NH2 PHE 322.A O no hydrogen 3.072 N/A VAL 419.A N LEU 415.A O no hydrogen 2.897 N/A LEU 420.A N LEU 416.A O no hydrogen 2.931 N/A ARG 421.A N ARG 418.A O no hydrogen 3.117 N/A ARG 421.A NH1 ASN 413.A OD1 no hydrogen 3.106 N/A ARG 421.A NH1 ASP 417.A OD2 no hydrogen 3.213 N/A HIS 422.A N ARG 418.A O no hydrogen 3.216 N/A HIS 422.A ND1 ARG 418.A O no hydrogen 2.679 N/A ARG 423.A NH1 LEU 545.A O no hydrogen 2.753 N/A ARG 423.A NH2 SER 549.A OG no hydrogen 3.325 N/A ILE 426.A N HIS 422.A O no hydrogen 3.143 N/A ILE 427.A N ARG 423.A O no hydrogen 2.889 N/A SER 428.A N ASP 424.A O no hydrogen 2.876 N/A HIS 429.A N ALA 425.A O no hydrogen 2.972 N/A HIS 429.A ND1 ALA 425.A O no hydrogen 2.682 N/A LEU 430.A N ILE 426.A O no hydrogen 2.909 N/A ASN 431.A N ILE 427.A O no hydrogen 2.842 N/A TRP 432.A N SER 428.A O no hydrogen 2.949 N/A VAL 433.A N HIS 429.A O no hydrogen 2.920 N/A CYS 434.A N LEU 430.A O no hydrogen 2.906 N/A CYS 434.A SG LEU 430.A O no hydrogen 3.075 N/A ILE 435.A N ASN 431.A O no hydrogen 2.944 N/A PHE 436.A N TRP 432.A O no hydrogen 2.893 N/A LEU 437.A N VAL 433.A O no hydrogen 2.886 N/A GLY 438.A N CYS 434.A O no hydrogen 2.895 N/A PHE 439.A N ILE 435.A O no hydrogen 2.925 N/A HIS 440.A N PHE 436.A O no hydrogen 2.906 N/A HIS 440.A ND1 PHE 436.A O no hydrogen 3.055 N/A SER 441.A N LEU 437.A O no hydrogen 2.945 N/A SER 441.A OG LEU 437.A O no hydrogen 2.907 N/A SER 441.A OG GLY 438.A O no hydrogen 3.535 N/A PHE 442.A N GLY 438.A O no hydrogen 2.900 N/A GLY 443.A N PHE 439.A O no hydrogen 2.830 N/A TYR 445.A N SER 441.A O no hydrogen 3.049 N/A ILE 446.A N PHE 442.A O no hydrogen 2.850 N/A HIS 447.A N GLY 443.A O no hydrogen 2.796 N/A HIS 447.A NE2 ASP 459.A O no hydrogen 2.668 N/A ASN 448.A N LEU 444.A O no hydrogen 2.938 N/A ASN 448.A ND2 PHE 461.A O no hydrogen 3.341 N/A ASN 448.A ND2 ILE 631.A O no hydrogen 2.835 N/A ASP 449.A N TYR 445.A O no hydrogen 2.900 N/A THR 450.A N ILE 446.A O no hydrogen 2.887 N/A THR 450.A OG1 ILE 446.A O no hydrogen 2.799 N/A MET 451.A N HIS 447.A O no hydrogen 2.935 N/A SER 452.A N ASN 448.A O no hydrogen 2.925 N/A ALA 453.A N ASP 449.A O no hydrogen 2.916 N/A LEU 454.A N THR 450.A O no hydrogen 2.738 N/A GLY 455.A N SER 452.A O no hydrogen 3.481 N/A ARG 456.A N MET 451.A O no hydrogen 2.794 N/A ARG 456.A NE ASP 459.A OD2 no hydrogen 2.998 N/A ARG 456.A NH2 ASP 459.A OD2 no hydrogen 3.138 N/A GLN 458.A N GLN 458.A OE1 no hydrogen 2.920 N/A ASP 459.A N ARG 456.A O no hydrogen 3.173 N/A PHE 461.A N ASN 448.A OD1 no hydrogen 2.760 N/A SER 462.A OG THR 464.A OG1 no hydrogen 3.317 N/A THR 464.A OG1 SER 462.A OG no hydrogen 3.317 N/A ALA 465.A N SER 462.A O no hydrogen 3.300 N/A LEU 468.A N THR 520.A OG1 no hydrogen 3.423 N/A GLN 469.A NE2 ASP 463.A OD1 no hydrogen 2.965 N/A GLN 474.A N PRO 470.A O no hydrogen 2.982 N/A GLN 474.A NE2 GLN 469.A OE1 no hydrogen 3.164 N/A GLN 474.A NE2 LEU 518.A O no hydrogen 2.804 N/A TRP 475.A N VAL 471.A O no hydrogen 2.876 N/A ILE 476.A N PHE 472.A O no hydrogen 2.924 N/A GLN 477.A N ALA 473.A O no hydrogen 2.914 N/A GLN 477.A NE2 ILE 516.A O no hydrogen 3.584 N/A ASN 478.A N GLN 474.A O no hydrogen 2.906 N/A THR 479.A N TRP 475.A O no hydrogen 2.880 N/A THR 479.A OG1 TRP 475.A O no hydrogen 2.904 N/A HIS 480.A N ILE 476.A O no hydrogen 2.926 N/A ALA 481.A N GLN 477.A O no hydrogen 2.888 N/A LEU 482.A N ASN 478.A O no hydrogen 3.277 N/A ALA 483.A N HIS 480.A O no hydrogen 3.459 N/A SER 485.A N LEU 482.A O no hydrogen 3.100 N/A SER 485.A OG LEU 482.A O no hydrogen 2.468 N/A THR 487.A N ALA 483.A O no hydrogen 2.917 N/A ALA 488.A N ALA 483.A O no hydrogen 2.680 N/A ALA 491.A N ALA 488.A O no hydrogen 3.039 N/A ALA 493.A N ARG 268.A O no hydrogen 2.850 N/A SER 494.A OG SER 496.A O no hydrogen 2.938 N/A SER 496.A OG ALA 362.A O no hydrogen 2.668 N/A SER 496.A OG THR 498.A OG1 no hydrogen 3.269 N/A THR 498.A N SER 496.A OG no hydrogen 3.195 N/A THR 498.A OG1 SER 496.A OG no hydrogen 3.269 N/A TRP 499.A N SER 496.A O no hydrogen 3.376 N/A LYS 510.A N VAL 507.A O no hydrogen 3.095 N/A LYS 510.A NZ THR 371.A O no hydrogen 2.817 N/A LYS 510.A NZ GLY 742.A OXT no hydrogen 3.267 N/A VAL 511.A N TYR 373.A OH no hydrogen 3.048 N/A VAL 511.A N GLY 610.A O no hydrogen 3.016 N/A ALA 512.A N VAL 505.A O no hydrogen 2.770 N/A ILE 516.A N THR 498.A O no hydrogen 3.348 N/A GLY 519.A N ASP 522.A OD2 no hydrogen 2.850 N/A THR 520.A OG1 ASP 463.A OD1 no hydrogen 3.064 N/A PHE 523.A N GLY 519.A O no hydrogen 3.035 N/A LEU 524.A N THR 520.A O no hydrogen 2.914 N/A VAL 525.A N ALA 521.A O no hydrogen 2.905 N/A HIS 526.A N ASP 522.A O no hydrogen 2.902 N/A HIS 526.A ND1 ASP 522.A O no hydrogen 2.644 N/A HIS 527.A N PHE 523.A O no hydrogen 3.005 N/A HIS 527.A ND1 PHE 523.A O no hydrogen 2.919 N/A ILE 528.A N LEU 524.A O no hydrogen 2.905 N/A HIS 529.A N VAL 525.A O no hydrogen 2.889 N/A HIS 529.A NE2 HIS 599.A ND1 no hydrogen 3.018 N/A ALA 530.A N HIS 526.A O no hydrogen 2.911 N/A PHE 531.A N HIS 527.A O no hydrogen 2.917 N/A THR 532.A N ILE 528.A O no hydrogen 2.953 N/A THR 532.A OG1 ILE 528.A O no hydrogen 3.148 N/A THR 532.A OG1 HIS 529.A O no hydrogen 2.691 N/A ILE 533.A N HIS 529.A O no hydrogen 2.928 N/A HIS 534.A N ALA 530.A O no hydrogen 2.910 N/A HIS 534.A ND1 ALA 530.A O no hydrogen 2.698 N/A VAL 535.A N PHE 531.A O no hydrogen 2.955 N/A THR 536.A N THR 532.A O no hydrogen 2.956 N/A THR 536.A OG1 THR 532.A O no hydrogen 2.703 N/A VAL 537.A N ILE 533.A O no hydrogen 2.893 N/A LEU 538.A N HIS 534.A O no hydrogen 2.824 N/A ILE 539.A N VAL 535.A O no hydrogen 2.976 N/A LEU 540.A N THR 536.A O no hydrogen 2.977 N/A LEU 541.A N VAL 537.A O no hydrogen 2.816 N/A LYS 542.A N LEU 538.A O no hydrogen 2.876 N/A GLY 543.A N ILE 539.A O no hydrogen 2.959 N/A VAL 544.A N LEU 540.A O no hydrogen 2.936 N/A LEU 545.A N LEU 541.A O no hydrogen 2.865 N/A PHE 546.A N LYS 542.A O no hydrogen 3.133 N/A ALA 547.A N VAL 544.A O no hydrogen 3.415 N/A ARG 548.A NH1 MET 402.A O no hydrogen 3.191 N/A SER 550.A N ILE 553.A O no hydrogen 3.131 N/A LYS 556.A NZ PHE 546.A O no hydrogen 2.708 N/A LYS 556.A NZ SER 550.A OG no hydrogen 3.323 N/A LYS 556.A NZ VAL 576.A O no hydrogen 3.413 N/A ASN 558.A N ASP 555.A O no hydrogen 3.240 N/A GLY 560.A N ALA 557.A O no hydrogen 3.267 N/A ARG 562.A NH2 ASP 44.A OD1 no hydrogen 3.294 N/A ASP 566.A N THR 573.A OG1 no hydrogen 2.958 N/A ARG 570.A NH1 ASP 566.A OD2 no hydrogen 2.382 N/A ARG 570.A NH2 ASP 566.A OD2 no hydrogen 2.835 N/A GLY 572.A N GLY 569.A O no hydrogen 2.853 N/A THR 573.A N GLY 567.A O no hydrogen 3.110 N/A THR 573.A OG1 GLY 567.A O no hydrogen 2.555 N/A SER 577.A OG PHE 561.A O no hydrogen 3.087 N/A SER 577.A OG ASP 580.A OD2 no hydrogen 2.849 N/A TRP 579.A N PHE 561.A O no hydrogen 3.458 N/A ASP 580.A N SER 577.A O no hydrogen 2.936 N/A ASP 580.A N SER 577.A OG no hydrogen 3.355 N/A HIS 581.A N SER 577.A O no hydrogen 3.315 N/A HIS 581.A ND1 SER 577.A O no hydrogen 2.891 N/A VAL 582.A N ALA 578.A O no hydrogen 2.952 N/A PHE 583.A N TRP 579.A O no hydrogen 2.885 N/A LEU 584.A N ASP 580.A O no hydrogen 2.949 N/A GLY 585.A N HIS 581.A O no hydrogen 2.870 N/A LEU 586.A N VAL 582.A O no hydrogen 2.897 N/A TRP 588.A N LEU 584.A O no hydrogen 3.047 N/A MET 589.A N GLY 585.A O no hydrogen 2.830 N/A TYR 590.A N LEU 586.A O no hydrogen 2.888 N/A ASN 591.A N PHE 587.A O no hydrogen 3.006 N/A ALA 592.A N TRP 588.A O no hydrogen 2.934 N/A ILE 593.A N MET 589.A O no hydrogen 2.893 N/A SER 594.A N TYR 590.A O no hydrogen 2.870 N/A SER 594.A OG TYR 590.A O no hydrogen 2.483 N/A VAL 595.A N ASN 591.A O no hydrogen 2.938 N/A VAL 596.A N ALA 592.A O no hydrogen 2.943 N/A ILE 597.A N ILE 593.A O no hydrogen 2.894 N/A PHE 598.A N SER 594.A O no hydrogen 2.916 N/A HIS 599.A N VAL 595.A O no hydrogen 2.897 N/A HIS 599.A ND1 HIS 529.A NE2 no hydrogen 3.018 N/A PHE 600.A N VAL 596.A O no hydrogen 2.924 N/A SER 601.A N ILE 597.A O no hydrogen 2.880 N/A TRP 602.A N PHE 598.A O no hydrogen 2.935 N/A TRP 602.A NE1 ASN 625.A OD1 no hydrogen 3.214 N/A LYS 603.A N HIS 599.A O no hydrogen 2.904 N/A LYS 603.A NZ PRO 517.A O no hydrogen 2.679 N/A LYS 603.A NZ ASP 522.A OD1 no hydrogen 2.841 N/A LYS 603.A NZ ASP 522.A OD2 no hydrogen 2.971 N/A LYS 603.A NZ ASP 607.A OD2 no hydrogen 3.371 N/A MET 604.A N PHE 600.A O no hydrogen 2.916 N/A GLN 605.A N SER 601.A O no hydrogen 2.926 N/A GLN 605.A NE2 SER 601.A O no hydrogen 3.578 N/A GLN 605.A NE2 SER 601.A OG no hydrogen 2.776 N/A GLN 605.A NE2 GLN 644.A OE1 no hydrogen 2.891 N/A SER 606.A N TRP 602.A O no hydrogen 2.904 N/A ASP 607.A N LYS 603.A O no hydrogen 2.885 N/A VAL 608.A N MET 604.A O no hydrogen 3.240 N/A TRP 609.A N MET 604.A O no hydrogen 2.683 N/A GLY 610.A N TYR 373.A OH no hydrogen 3.345 N/A SER 611.A N THR 619.A O no hydrogen 2.857 N/A ILE 612.A N GLY 509.A O no hydrogen 2.910 N/A SER 613.A N VAL 617.A O no hydrogen 3.057 N/A GLN 615.A N ASP 614.A OD1 no hydrogen 2.806 N/A VAL 617.A N SER 613.A OG no hydrogen 3.315 N/A THR 619.A N SER 611.A O no hydrogen 2.929 N/A ILE 621.A N TRP 609.A O no hydrogen 3.445 N/A THR 622.A N GLN 605.A O no hydrogen 2.887 N/A PHE 626.A N SER 606.A OG no hydrogen 3.151 N/A SER 629.A N ASN 625.A O no hydrogen 2.834 N/A SER 629.A OG ASN 625.A O no hydrogen 2.868 N/A SER 629.A OG ASP 639.A OD2 no hydrogen 3.231 N/A SER 630.A N PHE 626.A O no hydrogen 3.210 N/A THR 632.A N SER 629.A O no hydrogen 3.408 N/A ILE 633.A N ASP 449.A OD1 no hydrogen 2.680 N/A TRP 636.A N THR 632.A O no hydrogen 3.066 N/A TRP 636.A NE1 SER 630.A O no hydrogen 2.861 N/A LEU 637.A N ILE 633.A O no hydrogen 2.916 N/A ARG 638.A N ASN 634.A O no hydrogen 2.879 N/A ARG 638.A NE ASP 639.A OD2 no hydrogen 3.157 N/A ARG 638.A NH2 ASP 639.A OD2 no hydrogen 2.910 N/A ASP 639.A N GLY 635.A O no hydrogen 2.853 N/A LEU 641.A N TRP 636.A O no hydrogen 2.978 N/A TRP 642.A N LEU 637.A O no hydrogen 2.970 N/A ALA 643.A N ARG 638.A O no hydrogen 2.796 N/A GLN 644.A N PHE 640.A O no hydrogen 3.196 N/A SER 646.A OG TRP 642.A O no hydrogen 3.459 N/A SER 646.A OG ALA 643.A O no hydrogen 3.128 N/A ILE 649.A N ALA 645.A O no hydrogen 3.495 N/A SER 651.A OG VAL 648.A O no hydrogen 2.694 N/A SER 651.A OG LEU 656.A O no hydrogen 3.099 N/A SER 654.A N SER 651.A O no hydrogen 3.307 N/A SER 654.A OG SER 651.A O no hydrogen 2.524 N/A SER 657.A N SER 654.A O no hydrogen 3.056 N/A SER 657.A OG SER 654.A O no hydrogen 2.709 N/A TYR 659.A N LEU 656.A O no hydrogen 2.965 N/A GLY 660.A N LEU 656.A O no hydrogen 3.459 N/A LEU 661.A N SER 657.A O no hydrogen 2.923 N/A LEU 662.A N ALA 658.A O no hydrogen 2.910 N/A PHE 663.A N TYR 659.A O no hydrogen 2.815 N/A LEU 664.A N GLY 660.A O no hydrogen 3.016 N/A GLY 665.A N LEU 661.A O no hydrogen 2.886 N/A ALA 666.A N LEU 662.A O no hydrogen 2.814 N/A HIS 667.A N PHE 663.A O no hydrogen 3.031 N/A HIS 667.A ND1 PHE 663.A O no hydrogen 2.983 N/A PHE 668.A N LEU 664.A O no hydrogen 2.919 N/A VAL 669.A N GLY 665.A O no hydrogen 2.895 N/A TRP 670.A N ALA 666.A O no hydrogen 2.949 N/A ALA 671.A N HIS 667.A O no hydrogen 2.995 N/A PHE 672.A N PHE 668.A O no hydrogen 2.868 N/A SER 673.A N VAL 669.A O no hydrogen 2.894 N/A SER 673.A OG TRP 670.A O no hydrogen 2.395 N/A LEU 674.A N TRP 670.A O no hydrogen 3.115 N/A LEU 674.A N ALA 671.A O no hydrogen 3.060 N/A MET 675.A N PHE 672.A O no hydrogen 3.257 N/A LEU 677.A N SER 673.A O no hydrogen 2.999 N/A PHE 678.A N LEU 674.A O no hydrogen 2.884 N/A SER 679.A N MET 675.A O no hydrogen 2.834 N/A SER 679.A OG MET 675.A O no hydrogen 2.838 N/A ARG 681.A NH2 GLN 685.A OE1 no hydrogen 2.949 N/A ARG 681.A NH2 ALA 708.A O no hydrogen 3.366 N/A GLN 685.A N ARG 681.A O no hydrogen 2.978 N/A GLN 685.A NE2 GLN 685.A O no hydrogen 3.273 N/A GLU 686.A N GLY 682.A O no hydrogen 2.945 N/A LEU 687.A N TYR 683.A O no hydrogen 2.962 N/A ILE 688.A N TRP 684.A O no hydrogen 2.865 N/A GLU 689.A N GLN 685.A O no hydrogen 2.891 N/A SER 690.A N GLU 686.A O no hydrogen 2.999 N/A ILE 691.A N LEU 687.A O no hydrogen 2.968 N/A VAL 692.A N ILE 688.A O no hydrogen 2.808 N/A TRP 693.A N GLU 689.A O no hydrogen 2.914 N/A ALA 694.A N SER 690.A O no hydrogen 3.001 N/A HIS 695.A N ILE 691.A O no hydrogen 2.947 N/A HIS 695.A ND1 ILE 691.A O no hydrogen 2.699 N/A ASN 696.A N VAL 692.A O no hydrogen 2.818 N/A LYS 697.A N TRP 693.A O no hydrogen 2.940 N/A LEU 698.A N HIS 695.A O no hydrogen 3.110 N/A LYS 699.A N ASN 696.A O no hydrogen 3.109 N/A VAL 700.A N HIS 695.A O no hydrogen 3.026 N/A GLN 705.A N ASN 33.A O no hydrogen 3.353 N/A ARG 707.A N THR 35.A OG1 no hydrogen 2.864 N/A ALA 708.A N GLN 685.A OE1 no hydrogen 3.083 N/A GLN 713.A N SER 710.A OG no hydrogen 3.024 N/A GLY 714.A N SER 710.A O no hydrogen 2.680 N/A ARG 715.A N ILE 711.A O no hydrogen 2.951 N/A ARG 715.A NH1 PRO 564.A O no hydrogen 3.171 N/A ARG 715.A NH2 PRO 564.A O no hydrogen 3.535 N/A ALA 716.A N VAL 712.A O no hydrogen 2.888 N/A VAL 717.A N GLN 713.A O no hydrogen 2.861 N/A GLY 718.A N GLY 714.A O no hydrogen 2.925 N/A VAL 719.A N ARG 715.A O no hydrogen 2.907 N/A ALA 720.A N ALA 716.A O no hydrogen 2.900 N/A HIS 721.A N VAL 717.A O no hydrogen 2.952 N/A TYR 722.A N GLY 718.A O no hydrogen 2.879 N/A LEU 723.A N VAL 719.A O no hydrogen 2.917 N/A LEU 724.A N ALA 720.A O no hydrogen 2.920 N/A GLY 725.A N HIS 721.A O no hydrogen 2.880 N/A GLY 726.A N TYR 722.A O no hydrogen 2.978 N/A ILE 727.A N LEU 723.A O no hydrogen 2.897 N/A ALA 728.A N LEU 724.A O no hydrogen 2.887 N/A THR 729.A N GLY 725.A O no hydrogen 2.900 N/A THR 729.A OG1 GLY 725.A O no hydrogen 2.908 N/A THR 730.A N GLY 726.A O no hydrogen 3.033 N/A THR 730.A OG1 GLY 726.A O no hydrogen 3.207 N/A TRP 731.A N ILE 727.A O no hydrogen 2.847 N/A ALA 732.A N ALA 728.A O no hydrogen 2.914 N/A PHE 733.A N THR 729.A O no hydrogen 2.953 N/A PHE 734.A N THR 730.A O no hydrogen 2.857 N/A LEU 735.A N TRP 731.A O no hydrogen 2.930 N/A ALA 736.A N ALA 732.A O no hydrogen 2.929 N/A ARG 737.A N PHE 733.A O no hydrogen 2.954 N/A ARG 737.A NE GLN 605.A OE1 no hydrogen 2.667 N/A ARG 737.A NH1 GLN 647.A OE1 no hydrogen 3.134 N/A ARG 737.A NH2 GLN 605.A OE1 no hydrogen 2.937 N/A ILE 738.A N PHE 734.A O no hydrogen 2.847 N/A ILE 739.A N LEU 735.A O no hydrogen 2.920 N/A SER 740.A N ALA 736.A O no hydrogen 2.953 N/A SER 740.A OG ALA 736.A O no hydrogen 2.704 N/A VAL 741.A N ARG 737.A O no hydrogen 2.927 N/A