Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n75_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 ASN 30.A O no hydrogen 2.902 N/A VAL 3.A N ARG 51.A O no hydrogen 3.264 N/A ILE 4.A N GLN 32.A O no hydrogen 2.828 N/A ALA 5.A N GLY 54.A O no hydrogen 2.923 N/A ILE 6.A N VAL 34.A O no hydrogen 2.831 N/A LEU 7.A N ILE 56.A O no hydrogen 2.911 N/A MET 10.A N GLU 16.A OE2 no hydrogen 2.911 N/A GLY 11.A N GLU 16.A OE2 no hydrogen 2.907 N/A LYS 15.A N VAL 12.A O no hydrogen 3.229 N/A LYS 15.A NZ ASP 58.A OD1 no hydrogen 3.005 N/A GLU 16.A N VAL 12.A O no hydrogen 3.028 N/A GLU 17.A N TYR 13.A O no hydrogen 2.889 N/A ILE 19.A N LYS 15.A O no hydrogen 3.376 N/A ARG 20.A N GLU 16.A O no hydrogen 2.961 N/A ARG 20.A NE GLU 17.A OE1 no hydrogen 2.872 N/A ARG 20.A NH1 GLU 17.A OE1 no hydrogen 2.960 N/A GLU 21.A N GLU 17.A O no hydrogen 2.894 N/A LEU 22.A N PRO 18.A O no hydrogen 2.872 N/A HIS 23.A N ILE 19.A O no hydrogen 2.820 N/A ARG 24.A N ARG 20.A O no hydrogen 3.201 N/A ALA 25.A N GLU 21.A O no hydrogen 3.007 N/A LEU 26.A N LEU 22.A O no hydrogen 2.849 N/A GLU 27.A N HIS 23.A O no hydrogen 2.957 N/A ARG 28.A N ARG 24.A O no hydrogen 3.075 N/A LEU 29.A N ALA 25.A O no hydrogen 3.336 N/A LEU 29.A N LEU 26.A O no hydrogen 3.080 N/A ASN 30.A N GLU 27.A O no hydrogen 2.938 N/A PHE 31.A N LEU 26.A O no hydrogen 3.106 N/A GLN 32.A N ASN 2.A O no hydrogen 2.789 N/A VAL 34.A N ILE 4.A O no hydrogen 2.953 N/A ASN 37.A N ASP 41.A OD2 no hydrogen 2.762 N/A ARG 39.A NE ASP 40.A OD1 no hydrogen 2.908 N/A ARG 39.A NH1 GLU 65.A O no hydrogen 2.650 N/A ARG 39.A NH2 ASP 40.A OD1 no hydrogen 3.109 N/A ASP 41.A N ASP 38.A OD1 no hydrogen 2.893 N/A LEU 42.A N ASP 38.A O no hydrogen 2.964 N/A LEU 43.A N ARG 39.A O no hydrogen 2.985 N/A LYS 44.A N ASP 40.A O no hydrogen 2.981 N/A LYS 44.A NZ GLU 47.A OE2 no hydrogen 3.329 N/A LEU 45.A N ASP 41.A O no hydrogen 2.862 N/A ILE 46.A N LEU 42.A O no hydrogen 2.935 N/A GLU 47.A N LEU 43.A O no hydrogen 2.862 N/A ASN 48.A N LYS 44.A O no hydrogen 2.900 N/A ASN 49.A N ILE 46.A O no hydrogen 3.337 N/A ASN 49.A ND2 LEU 45.A O no hydrogen 2.820 N/A LEU 52.A N ASN 49.A O no hydrogen 3.133 N/A CYS 53.A N VAL 3.A O no hydrogen 2.861 N/A CYS 53.A SG VAL 3.A O no hydrogen 3.573 N/A VAL 55.A N PRO 78.A O no hydrogen 3.063 N/A ILE 56.A N ALA 5.A O no hydrogen 2.754 N/A PHE 57.A N TYR 80.A O no hydrogen 3.091 N/A TRP 59.A N PHE 82.A O no hydrogen 2.835 N/A TRP 59.A NE1 THR 88.A O no hydrogen 2.934 N/A LYS 61.A N ASP 58.A OD2 no hydrogen 2.988 N/A LYS 61.A NZ ASN 8.A OD1 no hydrogen 2.112 N/A TYR 62.A N ASP 58.A O no hydrogen 3.147 N/A TYR 62.A N TRP 59.A O no hydrogen 3.313 N/A ASN 63.A N TRP 59.A O no hydrogen 2.820 N/A ASN 63.A ND2 TRP 59.A O no hydrogen 2.856 N/A GLU 65.A N TYR 62.A O no hydrogen 2.800 N/A LEU 66.A N ASN 63.A O no hydrogen 3.401 N/A CYS 67.A N ASN 63.A O no hydrogen 3.087 N/A CYS 67.A SG ASN 63.A O no hydrogen 3.548 N/A ILE 70.A N LEU 66.A O no hydrogen 2.829 N/A SER 71.A N CYS 67.A O no hydrogen 2.965 N/A SER 71.A OG CYS 67.A O no hydrogen 3.460 N/A SER 71.A OG GLU 68.A O no hydrogen 2.758 N/A LYS 72.A N GLU 68.A O no hydrogen 3.232 N/A MET 73.A N ILE 70.A O no hydrogen 2.906 N/A ASN 74.A N ILE 70.A O no hydrogen 2.844 N/A ASN 74.A ND2 TYR 124.A OH no hydrogen 2.810 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.757 N/A ASN 76.A N ASN 74.A OD1 no hydrogen 3.003 N/A LEU 77.A N ASN 74.A O no hydrogen 3.488 N/A LEU 79.A N GLN 99.A O no hydrogen 2.769 N/A TYR 80.A N VAL 55.A O no hydrogen 2.740 N/A ALA 81.A N SER 101.A O no hydrogen 2.776 N/A PHE 82.A N PHE 57.A O no hydrogen 2.920 N/A ALA 83.A N PHE 103.A O no hydrogen 2.939 N/A ASN 84.A N SER 87.A OG no hydrogen 2.694 N/A SER 87.A N ASN 84.A O no hydrogen 3.091 N/A SER 87.A OG ASP 60.A OD1 no hydrogen 2.846 N/A SER 87.A OG ASP 60.A OD2 no hydrogen 3.561 N/A SER 87.A OG ASN 84.A O no hydrogen 3.197 N/A LEU 89.A N THR 88.A OG1 no hydrogen 2.814 N/A SER 92.A N ASP 90.A OD2 no hydrogen 3.022 N/A SER 92.A OG ASP 90.A OD2 no hydrogen 2.616 N/A LEU 93.A N ASP 90.A O no hydrogen 3.054 N/A ASN 94.A N VAL 91.A O no hydrogen 3.017 N/A LEU 96.A N LEU 93.A O no hydrogen 3.148 N/A SER 101.A N LEU 79.A O no hydrogen 2.847 N/A PHE 103.A N ALA 81.A O no hydrogen 2.816 N/A TYR 105.A OH ASP 58.A OD1 no hydrogen 2.615 N/A GLY 108.A N GLU 21.A OE1 no hydrogen 2.908 N/A ILE 113.A N ALA 109.A O no hydrogen 2.960 N/A ALA 114.A N ALA 110.A O no hydrogen 2.769 N/A ASN 115.A N GLU 111.A O no hydrogen 3.012 N/A LYS 116.A N ASP 112.A O no hydrogen 3.024 N/A LYS 116.A NZ ASP 112.A OD2 no hydrogen 3.041 N/A ILE 117.A N ILE 113.A O no hydrogen 2.862 N/A LYS 118.A N ALA 114.A O no hydrogen 2.893 N/A GLN 119.A N ASN 115.A O no hydrogen 3.059 N/A THR 120.A N LYS 116.A O no hydrogen 2.854 N/A THR 120.A OG1 LYS 116.A O no hydrogen 2.855 N/A THR 121.A N ILE 117.A O no hydrogen 2.805 N/A THR 121.A OG1 ILE 117.A O no hydrogen 2.689 N/A ASP 122.A N LYS 118.A O no hydrogen 3.039 N/A GLU 123.A N GLN 119.A O no hydrogen 2.957 N/A TYR 124.A N THR 120.A O no hydrogen 2.922 N/A ILE 125.A N THR 121.A O no hydrogen 2.964 N/A ASN 126.A N ASP 122.A O no hydrogen 2.984 N/A THR 127.A N GLU 123.A O no hydrogen 2.831 N/A THR 127.A OG1 GLU 123.A O no hydrogen 2.877 N/A ILE 128.A N TYR 124.A O no hydrogen 3.011 N/A LEU 129.A N ILE 125.A O no hydrogen 3.012 N/A LEU 132.A N GLU 409.A OE2 no hydrogen 2.760 N/A THR 133.A N GLU 409.A OE1 no hydrogen 2.755 N/A THR 133.A OG1 ALA 406.A O no hydrogen 3.217 N/A THR 133.A OG1 GLU 409.A OE1 no hydrogen 2.760 N/A THR 133.A OG1 THR 410.A OG1 no hydrogen 2.978 N/A LYS 134.A N PRO 130.A O no hydrogen 2.954 N/A LYS 134.A NZ ASN 126.A O no hydrogen 3.072 N/A ALA 135.A N PRO 131.A O no hydrogen 3.026 N/A LEU 136.A N LEU 132.A O no hydrogen 2.834 N/A PHE 137.A N THR 133.A O no hydrogen 2.893 N/A LYS 138.A N LYS 134.A O no hydrogen 2.971 N/A TYR 139.A N ALA 135.A O no hydrogen 2.896 N/A VAL 140.A N LEU 136.A O no hydrogen 3.069 N/A ARG 141.A N PHE 137.A O no hydrogen 3.110 N/A GLU 142.A N LYS 138.A O no hydrogen 2.831 N/A GLU 142.A N TYR 139.A O no hydrogen 3.118 N/A GLY 143.A N TYR 139.A O no hydrogen 2.610 N/A TYR 145.A OH GLU 186.A OE1 no hydrogen 2.577 N/A HIS 152.A NE2 ASP 179.A OD2 no hydrogen 2.783 N/A MET 153.A N PRO 150.A O no hydrogen 3.014 N/A GLY 155.A N HIS 152.A ND1 no hydrogen 2.797 N/A THR 156.A N MET 153.A O no hydrogen 3.110 N/A THR 156.A OG1 MET 153.A O no hydrogen 2.706 N/A ALA 157.A N HIS 152.A O no hydrogen 2.883 N/A PHE 158.A N GLY 155.A O no hydrogen 2.984 N/A GLN 159.A N THR 156.A O no hydrogen 3.179 N/A SER 161.A N PHE 158.A O no hydrogen 3.228 N/A GLY 164.A N SER 161.A OG no hydrogen 3.033 N/A SER 165.A N SER 161.A O no hydrogen 2.813 N/A SER 165.A OG PRO 162.A O no hydrogen 2.652 N/A LEU 166.A N PRO 162.A O no hydrogen 3.441 N/A PHE 167.A N VAL 163.A O no hydrogen 3.265 N/A TYR 168.A N GLY 164.A O no hydrogen 2.832 N/A ASP 169.A N SER 165.A O no hydrogen 2.846 N/A PHE 170.A N LEU 166.A O no hydrogen 2.910 N/A PHE 171.A N PHE 167.A O no hydrogen 3.090 N/A GLY 172.A N TYR 168.A O no hydrogen 2.754 N/A THR 175.A OG1 PHE 171.A O no hydrogen 3.334 N/A MET 176.A N GLY 172.A O no hydrogen 3.247 N/A LYS 177.A N PRO 173.A O no hydrogen 2.820 N/A SER 178.A N ASN 174.A O no hydrogen 2.954 N/A SER 178.A OG ASN 174.A O no hydrogen 2.995 N/A SER 178.A OG THR 175.A O no hydrogen 3.078 N/A ASP 179.A N MET 176.A O no hydrogen 3.287 N/A SER 181.A OG THR 149.A O no hydrogen 2.775 N/A SER 183.A N SER 181.A OG no hydrogen 3.264 N/A VAL 184.A N SER 181.A O no hydrogen 2.957 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.827 N/A LEU 187.A N VAL 184.A O no hydrogen 3.177 N/A GLY 188.A N SER 185.A O no hydrogen 2.985 N/A SER 189.A N SER 194.A O no hydrogen 3.425 N/A ASP 192.A N SER 189.A OG no hydrogen 3.090 N/A HIS 193.A N LEU 190.A O no hydrogen 3.136 N/A HIS 193.A ND1 GLU 201.A OE2 no hydrogen 2.515 N/A HIS 193.A NE2 ASN 389.A OD1 no hydrogen 2.607 N/A SER 194.A N SER 189.A O no hydrogen 3.033 N/A HIS 197.A N SER 194.A O no hydrogen 3.057 N/A GLU 199.A N GLY 195.A O no hydrogen 3.100 N/A ALA 200.A N PRO 196.A O no hydrogen 2.753 N/A GLU 201.A N HIS 197.A O no hydrogen 2.952 N/A GLN 202.A N LYS 198.A O no hydrogen 3.062 N/A TYR 203.A N GLU 199.A O no hydrogen 2.957 N/A ILE 204.A N ALA 200.A O no hydrogen 2.935 N/A ALA 205.A N GLU 201.A O no hydrogen 3.057 N/A ARG 206.A N GLN 202.A O no hydrogen 3.075 N/A VAL 207.A N TYR 203.A O no hydrogen 3.076 N/A PHE 208.A N ILE 204.A O no hydrogen 2.815 N/A ALA 210.A N ALA 205.A O no hydrogen 2.926 N/A ASP 211.A N VAL 379.A O no hydrogen 2.816 N/A ARG 212.A N VAL 379.A O no hydrogen 3.351 N/A ARG 212.A NH1.B GLU 385.A OE1 no hydrogen 2.808 N/A ARG 212.A NH2.B GLU 385.A OE1 no hydrogen 3.270 N/A SER 213.A OG HIS 378.A ND1 no hydrogen 2.748 N/A TYR 214.A N ILE 377.A O no hydrogen 2.889 N/A VAL 216.A N SER 375.A O no hydrogen 2.858 N/A GLY 219.A N GLN 373.A O no hydrogen 2.810 N/A THR 220.A OG1 SER 364.A OG no hydrogen 2.685 N/A THR 220.A OG1 SER 375.A OG no hydrogen 2.962 N/A THR 222.A N GLY 219.A O no hydrogen 3.103 N/A THR 222.A OG1 ASN 218.A O no hydrogen 2.771 N/A ALA 223.A N GLY 219.A O no hydrogen 3.106 N/A ASN 224.A N THR 220.A O no hydrogen 2.836 N/A LYS 225.A NZ SER 221.A O no hydrogen 2.930 N/A ILE 226.A N THR 222.A O no hydrogen 2.940 N/A VAL 227.A N ALA 223.A O no hydrogen 3.149 N/A GLY 228.A N ASN 224.A O no hydrogen 2.998 N/A MET 229.A N LYS 225.A O no hydrogen 2.867 N/A TYR 230.A N ILE 226.A O no hydrogen 3.148 N/A SER 231.A N VAL 227.A O no hydrogen 3.064 N/A SER 231.A N GLY 228.A O no hydrogen 3.063 N/A SER 231.A OG VAL 227.A O no hydrogen 2.715 N/A GLY 235.A N ASP 256.A O no hydrogen 2.923 N/A SER 236.A N PRO 233.A O no hydrogen 3.095 N/A SER 236.A OG PRO 233.A O no hydrogen 2.707 N/A THR 237.A OG1 THR 296.A O no hydrogen 3.302 N/A ILE 238.A N THR 258.A O no hydrogen 3.033 N/A LEU 239.A N HIS 300.A O no hydrogen 2.937 N/A ILE 240.A N ILE 260.A O no hydrogen 2.889 N/A ASP 241.A N VAL 302.A O no hydrogen 2.923 N/A ARG 242.A N PHE 262.A O no hydrogen 3.073 N/A ARG 242.A NH1 GLU 662.A OE2 no hydrogen 2.782 N/A ARG 242.A NH2 LEU 657.A O no hydrogen 3.101 N/A ARG 242.A NH2 GLU 662.A OE1 no hydrogen 2.773 N/A ARG 242.A NH2 GLU 662.A OE2 no hydrogen 3.542 N/A ASN 243.A N ASP 241.A OD1 no hydrogen 2.967 N/A CYS 244.A SG ARG 242.A O no hydrogen 4.048 N/A HIS 245.A ND1 SER 247.A OG no hydrogen 2.893 N/A LYS 246.A NZ HIS 250.A NE2 no hydrogen 3.443 N/A SER 247.A N HIS 245.A ND1 no hydrogen 3.132 N/A SER 247.A OG ASN 224.A OD1 no hydrogen 3.115 N/A SER 247.A OG HIS 245.A ND1 no hydrogen 2.893 N/A LEU 248.A N HIS 245.A O no hydrogen 2.833 N/A HIS 250.A N LYS 246.A O no hydrogen 2.900 N/A LEU 251.A N SER 247.A O no hydrogen 2.922 N/A MET 252.A N LEU 248.A O no hydrogen 3.039 N/A MET 253.A N THR 249.A O no hydrogen 2.891 N/A MET 254.A N HIS 250.A O no hydrogen 2.972 N/A MET 254.A N LEU 251.A O no hydrogen 3.128 N/A SER 255.A N LEU 251.A O no hydrogen 2.920 N/A SER 255.A OG LEU 251.A O no hydrogen 3.416 N/A VAL 257.A N SER 255.A O no hydrogen 2.718 N/A THR 258.A N SER 236.A O no hydrogen 2.975 N/A ILE 260.A N ILE 238.A O no hydrogen 2.788 N/A PHE 262.A N ILE 240.A O no hydrogen 2.867 N/A ARG 263.A N GLU 279.A OE1 no hydrogen 2.818 N/A THR 265.A N GLY 274.A O no hydrogen 3.140 N/A THR 265.A OG1 GLY 274.A O no hydrogen 2.918 N/A ARG 266.A NE GLU 610.A OE1 no hydrogen 2.693 N/A ASN 267.A N ILE 271.A O no hydrogen 3.018 N/A ASN 267.A ND2 HIS 473.A O no hydrogen 2.823 N/A GLY 270.A N ASN 267.A O no hydrogen 2.888 N/A ILE 271.A N ASN 267.A OD1 no hydrogen 3.136 N/A GLY 273.A N THR 265.A O no hydrogen 2.804 N/A ILE 275.A N TYR 313.A OH no hydrogen 2.845 N/A GLN 277.A N ASP 479.A OD2 no hydrogen 2.762 N/A GLN 277.A NE2 HIS 482.A ND1 no hydrogen 3.293 N/A GLU 279.A N PRO 276.A O no hydrogen 3.027 N/A PHE 280.A N GLN 277.A O no hydrogen 3.270 N/A GLN 281.A N SER 278.A O no hydrogen 3.357 N/A THR 284.A OG1 SER 278.A O no hydrogen 2.675 N/A ILE 285.A N GLN 281.A O no hydrogen 3.251 N/A ALA 286.A N HIS 282.A O no hydrogen 2.888 N/A LYS 287.A N ALA 283.A O no hydrogen 3.186 N/A ARG 288.A N THR 284.A O no hydrogen 3.162 N/A ARG 288.A NH1 GLU 279.A OE1 no hydrogen 2.638 N/A ARG 288.A NH1 GLU 279.A OE2 no hydrogen 3.175 N/A ARG 288.A NH2 GLU 279.A OE2 no hydrogen 2.749 N/A VAL 289.A N ILE 285.A O no hydrogen 2.834 N/A LYS 290.A N ALA 286.A O no hydrogen 3.030 N/A GLU 291.A N LYS 287.A O no hydrogen 3.079 N/A THR 292.A N VAL 289.A O no hydrogen 3.211 N/A THR 292.A OG1 ARG 288.A O no hydrogen 2.529 N/A ALA 295.A N THR 292.A O no hydrogen 2.985 N/A THR 296.A N THR 237.A OG1 no hydrogen 2.904 N/A TRP 297.A NE1 ASP 323.A O no hydrogen 2.751 N/A VAL 299.A N THR 237.A O no hydrogen 3.017 N/A HIS 300.A ND1 SER 326.A OG no hydrogen 2.678 N/A ALA 301.A N SER 326.A O no hydrogen 2.937 N/A VAL 302.A N LEU 239.A O no hydrogen 2.858 N/A ILE 303.A N HIS 328.A O no hydrogen 2.891 N/A THR 304.A N ASP 241.A OD2 no hydrogen 2.886 N/A THR 304.A OG1 ASP 241.A OD2 no hydrogen 3.513 N/A THR 304.A OG1 ASN 243.A O no hydrogen 2.669 N/A ASN 305.A N ASP 330.A O no hydrogen 3.070 N/A ASN 305.A ND2 LYS 346.A O no hydrogen 2.903 N/A SER 306.A OG THR 307.A O no hydrogen 2.697 N/A THR 307.A N LEU 311.A O no hydrogen 2.888 N/A TYR 308.A OH GLU 525.A OE2 no hydrogen 2.447 N/A GLY 310.A N THR 307.A O no hydrogen 3.120 N/A LEU 311.A N THR 307.A OG1 no hydrogen 2.961 N/A LEU 312.A N TYR 484.A O no hydrogen 2.829 N/A TYR 313.A N ASN 305.A OD1 no hydrogen 2.918 N/A ASN 314.A N HIS 482.A O no hydrogen 2.716 N/A ASN 314.A ND2 GLU 481.A O no hydrogen 2.808 N/A THR 315.A N GLY 345.A O no hydrogen 2.988 N/A THR 315.A OG1 CYS 347.A O no hydrogen 2.771 N/A PHE 317.A N ASN 314.A OD1 no hydrogen 2.978 N/A ILE 318.A N ASN 314.A O no hydrogen 3.310 N/A LYS 319.A N THR 315.A O no hydrogen 2.909 N/A LYS 319.A NZ GLY 348.A O no hydrogen 2.838 N/A LYS 320.A N ASP 316.A O no hydrogen 3.123 N/A THR 321.A N PHE 317.A O no hydrogen 2.901 N/A THR 321.A OG1 PHE 317.A O no hydrogen 2.628 N/A LEU 322.A N ILE 318.A O no hydrogen 2.909 N/A SER 326.A OG HIS 300.A ND1 no hydrogen 2.678 N/A ILE 327.A N VAL 358.A O no hydrogen 2.969 N/A HIS 328.A N ALA 301.A O no hydrogen 2.697 N/A PHE 329.A N TYR 360.A O no hydrogen 2.892 N/A ASP 330.A N ILE 303.A O no hydrogen 2.814 N/A SER 331.A N THR 362.A O no hydrogen 2.815 N/A SER 331.A OG ASN 305.A O no hydrogen 3.524 N/A SER 331.A OG PHE 329.A O no hydrogen 3.099 N/A SER 331.A OG GLU 361.A OE1 no hydrogen 3.445 N/A ALA 332.A N ASP 330.A OD1 no hydrogen 3.254 N/A VAL 334.A N SER 331.A O no hydrogen 2.995 N/A TYR 336.A OH ASP 486.A OD2 no hydrogen 2.563 N/A ASN 338.A ND2 VAL 207.A O no hydrogen 2.823 N/A PHE 339.A N TYR 336.A O no hydrogen 3.042 N/A ILE 342.A N SER 340.A OG no hydrogen 3.240 N/A TYR 343.A N SER 340.A O no hydrogen 3.138 N/A TYR 343.A OH ASP 486.A OD1 no hydrogen 2.730 N/A GLU 344.A N PRO 341.A O no hydrogen 3.222 N/A GLY 345.A N SER 350.A OG no hydrogen 2.782 N/A LYS 346.A N TYR 343.A O no hydrogen 2.916 N/A LYS 346.A NZ ILE 342.A O no hydrogen 2.990 N/A LYS 346.A NZ GLU 344.A O no hydrogen 2.947 N/A CYS 347.A SG TYR 343.A O no hydrogen 3.624 N/A MET 349.A N GLU 361.A OE2 no hydrogen 2.787 N/A SER 350.A N CYS 347.A O no hydrogen 3.363 N/A ARG 353.A NE ASP 211.A OD2 no hydrogen 2.890 N/A ARG 353.A NH1 ASP 382.A OD1 no hydrogen 2.950 N/A ARG 353.A NH2 ASP 211.A OD2 no hydrogen 3.241 N/A ARG 353.A NH2 ASP 382.A OD1 no hydrogen 2.937 N/A LYS 357.A N VAL 354.A O no hydrogen 2.981 N/A LYS 357.A NZ LYS 319.A O no hydrogen 2.677 N/A LYS 357.A NZ LEU 322.A O no hydrogen 2.596 N/A VAL 358.A N LYS 325.A O no hydrogen 2.879 N/A ILE 359.A N LYS 380.A O no hydrogen 2.894 N/A TYR 360.A N ILE 327.A O no hydrogen 2.907 N/A GLU 361.A N HIS 378.A O no hydrogen 3.039 N/A THR 362.A N PHE 329.A O no hydrogen 3.196 N/A GLN 363.A N MET 376.A O no hydrogen 3.022 N/A GLN 363.A NE2 GLU 361.A OE1 no hydrogen 2.765 N/A SER 364.A OG THR 220.A OG1 no hydrogen 2.685 N/A LEU 368.A N THR 365.A O no hydrogen 3.053 N/A PHE 371.A N SER 407.A OG no hydrogen 3.002 N/A ALA 374.A N PHE 371.A O no hydrogen 3.006 N/A SER 375.A N VAL 216.A O no hydrogen 3.120 N/A SER 375.A OG THR 220.A OG1 no hydrogen 2.962 N/A SER 375.A OG GLN 363.A O no hydrogen 2.961 N/A MET 376.A N GLN 363.A O no hydrogen 2.996 N/A ILE 377.A N TYR 214.A O no hydrogen 3.004 N/A HIS 378.A N GLU 361.A O no hydrogen 2.820 N/A HIS 378.A ND1 SER 213.A OG no hydrogen 2.748 N/A HIS 378.A NE2 GLN 363.A OE1 no hydrogen 2.989 N/A VAL 379.A N ARG 212.A O no hydrogen 2.830 N/A LYS 380.A N ILE 359.A O no hydrogen 2.882 N/A LYS 380.A NZ ASN 209.A O no hydrogen 2.933 N/A LYS 380.A NZ MET 349.A O no hydrogen 2.813 N/A LYS 380.A NZ GLY 351.A O no hydrogen 3.007 N/A GLY 381.A N ASP 211.A OD2 no hydrogen 2.816 N/A ASN 384.A N TYR 230.A OH no hydrogen 2.913 N/A THR 387.A N ASN 384.A OD1 no hydrogen 2.968 N/A PHE 388.A N ASN 384.A O no hydrogen 2.793 N/A ASN 389.A N GLU 385.A O no hydrogen 2.918 N/A ASN 389.A ND2 LEU 191.A O no hydrogen 3.691 N/A GLU 390.A N GLU 386.A O no hydrogen 3.155 N/A ALA 391.A N THR 387.A O no hydrogen 3.193 N/A TYR 392.A N PHE 388.A O no hydrogen 2.871 N/A TYR 392.A OH MET 215.A O no hydrogen 2.603 N/A MET 393.A N ASN 389.A O no hydrogen 2.821 N/A MET 394.A N GLU 390.A O no hydrogen 2.914 N/A HIS 395.A N TYR 392.A O no hydrogen 3.149 N/A THR 396.A N MET 393.A O no hydrogen 3.340 N/A THR 396.A OG1 TYR 392.A O no hydrogen 2.738 N/A SER 399.A N THR 397.A OG1 no hydrogen 2.883 N/A ILE 404.A N HIS 401.A ND1 no hydrogen 3.087 N/A VAL 405.A N HIS 401.A O no hydrogen 3.120 N/A ALA 406.A N TYR 402.A O no hydrogen 2.713 N/A SER 407.A N GLY 403.A O no hydrogen 2.864 N/A SER 407.A OG ILE 404.A O no hydrogen 2.848 N/A THR 408.A N ILE 404.A O no hydrogen 3.160 N/A THR 408.A N VAL 405.A O no hydrogen 3.071 N/A THR 408.A OG1 ILE 404.A O no hydrogen 2.885 N/A GLU 409.A N VAL 405.A O no hydrogen 3.273 N/A THR 410.A N ALA 406.A O no hydrogen 2.823 N/A THR 410.A OG1 THR 133.A OG1 no hydrogen 2.978 N/A THR 410.A OG1 ALA 406.A O no hydrogen 3.093 N/A ALA 411.A N SER 407.A O no hydrogen 2.863 N/A ALA 413.A N GLU 409.A O no hydrogen 3.044 N/A MET 414.A N THR 410.A O no hydrogen 2.826 N/A MET 415.A N ALA 411.A O no hydrogen 3.291 N/A MET 415.A N ALA 412.A O no hydrogen 2.992 N/A LYS 416.A N ALA 413.A O no hydrogen 3.402 N/A ASN 418.A ND2 SER 71.A O no hydrogen 3.284 N/A GLY 420.A N LYS 416.A O no hydrogen 3.217 N/A LYS 421.A N GLY 417.A O no hydrogen 3.081 N/A ARG 422.A N ASN 418.A O no hydrogen 3.017 N/A LEU 423.A N ALA 419.A O no hydrogen 3.043 N/A ILE 424.A N GLY 420.A O no hydrogen 3.202 N/A ASN 425.A N LYS 421.A O no hydrogen 2.790 N/A GLY 426.A N ARG 422.A O no hydrogen 2.829 N/A SER 427.A N LEU 423.A O no hydrogen 3.188 N/A SER 427.A OG ILE 424.A O no hydrogen 2.913 N/A ILE 428.A N ILE 424.A O no hydrogen 2.989 N/A GLU 429.A N ASN 425.A O no hydrogen 2.820 N/A ARG 430.A N GLY 426.A O no hydrogen 2.840 N/A ARG 430.A NE ILE 540.A O no hydrogen 2.821 N/A ALA 431.A N SER 427.A O no hydrogen 3.029 N/A ILE 432.A N ILE 428.A O no hydrogen 2.996 N/A LYS 433.A N GLU 429.A O no hydrogen 2.882 N/A LYS 433.A NZ GLU 437.A OE2 no hydrogen 2.567 N/A PHE 434.A N ARG 430.A O no hydrogen 2.984 N/A ARG 435.A N ALA 431.A O no hydrogen 2.925 N/A ARG 435.A NE PRO 487.A O no hydrogen 2.886 N/A ARG 435.A NH1 GLN 454.A OE1 no hydrogen 2.943 N/A ARG 435.A NH2 PRO 487.A O no hydrogen 3.001 N/A LYS 436.A N ILE 432.A O no hydrogen 2.981 N/A GLU 437.A N LYS 433.A O no hydrogen 2.941 N/A ILE 438.A N PHE 434.A O no hydrogen 3.014 N/A LYS 439.A N ARG 435.A O no hydrogen 3.196 N/A LYS 439.A NZ ASP 451.A OD1 no hydrogen 2.628 N/A ARG 440.A N LYS 436.A O no hydrogen 2.871 N/A ARG 440.A NH1 GLU 444.A OE1 no hydrogen 2.856 N/A LEU 441.A N GLU 437.A O no hydrogen 2.889 N/A ARG 442.A N ILE 438.A O no hydrogen 2.866 N/A ARG 442.A NH1 PHE 450.A O no hydrogen 3.270 N/A THR 443.A N LYS 439.A O no hydrogen 3.182 N/A THR 443.A OG1 LYS 439.A O no hydrogen 3.359 N/A GLU 444.A N ARG 440.A O no hydrogen 2.947 N/A SER 445.A N LEU 441.A O no hydrogen 2.889 N/A SER 445.A OG LEU 441.A O no hydrogen 2.602 N/A TRP 448.A NE1 ASP 560.A OD1 no hydrogen 2.885 N/A ASP 451.A N LEU 493.A O no hydrogen 2.998 N/A VAL 452.A N ASP 451.A OD1 no hydrogen 2.862 N/A TRP 453.A N THR 491.A O no hydrogen 2.897 N/A CYS 463.A SG ILE 342.A O no hydrogen 3.577 N/A TRP 464.A NE1 THR 460.A O no hydrogen 2.866 N/A LEU 466.A N MET 483.A O no hydrogen 3.035 N/A ARG 467.A NE ASP 469.A OD1 no hydrogen 3.130 N/A ARG 467.A NH2 ASP 469.A OD2 no hydrogen 2.635 N/A SER 468.A N ASN 480.A OD1 no hydrogen 2.795 N/A SER 470.A N ARG 467.A O no hydrogen 3.106 N/A SER 470.A OG ASP 469.A OD1 no hydrogen 3.136 N/A GLY 474.A N THR 471.A O no hydrogen 3.209 N/A ASN 480.A ND2 SER 468.A OG no hydrogen 2.820 N/A HIS 482.A NE2 ILE 275.A O no hydrogen 2.600 N/A TYR 484.A N LEU 312.A O no hydrogen 2.886 N/A LEU 485.A N TRP 464.A O no hydrogen 2.852 N/A ASP 486.A N GLY 310.A O no hydrogen 2.865 N/A ILE 488.A N ASP 486.A OD1 no hydrogen 3.174 N/A LYS 489.A N ASP 486.A O no hydrogen 3.141 N/A LYS 489.A NZ TRP 333.A O no hydrogen 2.935 N/A LYS 489.A NZ TYR 336.A OH no hydrogen 3.362 N/A VAL 490.A N PHE 534.A O no hydrogen 2.887 N/A LEU 492.A N LEU 532.A O no hydrogen 2.800 N/A LEU 493.A N ASP 451.A O no hydrogen 2.825 N/A THR 494.A N TYR 530.A O no hydrogen 2.895 N/A THR 494.A OG1 ILE 508.A O no hydrogen 2.612 N/A GLU 498.A N THR 502.A O no hydrogen 2.716 N/A GLY 501.A N GLU 498.A O no hydrogen 3.028 N/A SER 504.A N GLY 496.A O no hydrogen 2.872 N/A SER 504.A OG GLU 498.A OE2 no hydrogen 2.680 N/A ILE 508.A N PRO 495.A O no hydrogen 2.800 N/A ALA 510.A N PRO 529.A O no hydrogen 2.858 N/A ILE 512.A N PRO 509.A O no hydrogen 3.083 N/A ALA 514.A N ALA 510.A O no hydrogen 2.935 N/A LYS 515.A N SER 511.A O no hydrogen 3.011 N/A LYS 515.A NZ GLY 687.A O no hydrogen 2.959 N/A TYR 516.A N ILE 512.A O no hydrogen 3.056 N/A LEU 517.A N VAL 513.A O no hydrogen 2.850 N/A ASP 518.A N ALA 514.A O no hydrogen 2.910 N/A GLU 519.A N LYS 515.A O no hydrogen 3.156 N/A HIS 520.A N LEU 517.A O no hydrogen 2.895 N/A HIS 520.A ND1 TYR 516.A O no hydrogen 3.112 N/A GLY 521.A N ASP 518.A O no hydrogen 2.966 N/A ILE 522.A N LEU 517.A O no hydrogen 2.863 N/A LYS 526.A NZ ASP 309.A OD1 no hydrogen 2.723 N/A THR 527.A OG1 GLY 528.A O no hydrogen 3.114 N/A THR 527.A OG1 ASN 531.A O no hydrogen 3.132 N/A GLY 528.A N ASN 531.A O no hydrogen 2.978 N/A ASN 531.A N GLY 528.A O no hydrogen 3.513 N/A LEU 532.A N LEU 492.A O no hydrogen 2.809 N/A LEU 533.A N LYS 526.A O no hydrogen 2.901 N/A PHE 534.A N VAL 490.A O no hydrogen 2.867 N/A PHE 536.A N ILE 488.A O no hydrogen 2.907 N/A ILE 540.A N SER 537.A O no hydrogen 3.001 N/A THR 543.A N ASP 541.A OD1 no hydrogen 2.898 N/A LYS 544.A N ASP 541.A OD1 no hydrogen 3.159 N/A LYS 544.A NZ GLY 539.A O no hydrogen 3.044 N/A ALA 545.A N ASP 541.A O no hydrogen 3.088 N/A LEU 546.A N LYS 542.A O no hydrogen 2.955 N/A SER 547.A N THR 543.A O no hydrogen 3.061 N/A SER 547.A OG THR 543.A O no hydrogen 2.845 N/A LEU 548.A N LYS 544.A O no hydrogen 3.012 N/A LEU 549.A N ALA 545.A O no hydrogen 2.933 N/A ARG 550.A N LEU 546.A O no hydrogen 2.875 N/A ALA 551.A N SER 547.A O no hydrogen 2.965 N/A LEU 552.A N LEU 548.A O no hydrogen 2.948 N/A THR 553.A N LEU 549.A O no hydrogen 2.990 N/A THR 553.A OG1 ARG 550.A O no hydrogen 3.089 N/A ASP 554.A N ARG 550.A O no hydrogen 2.802 N/A PHE 555.A N ALA 551.A O no hydrogen 2.813 N/A LYS 556.A N LEU 552.A O no hydrogen 3.165 N/A LYS 556.A NZ ASP 446.A O no hydrogen 2.842 N/A LYS 556.A NZ TRP 448.A O no hydrogen 2.831 N/A LYS 556.A NZ ASP 560.A OD2 no hydrogen 2.732 N/A ARG 557.A N THR 553.A O no hydrogen 2.905 N/A ARG 557.A NE ASP 554.A OD1 no hydrogen 3.206 N/A ALA 558.A N ASP 554.A O no hydrogen 2.867 N/A PHE 559.A N PHE 555.A O no hydrogen 2.800 N/A ASP 560.A N LYS 556.A O no hydrogen 2.908 N/A LEU 561.A N ARG 557.A O no hydrogen 3.159 N/A ASN 562.A N PHE 559.A O no hydrogen 2.842 N/A LEU 563.A N ALA 558.A O no hydrogen 3.529 N/A ARG 564.A NE GLU 581.A O no hydrogen 3.188 N/A ARG 564.A NH2 GLU 581.A O no hydrogen 3.059 N/A VAL 565.A N MET 583.A O no hydrogen 2.884 N/A LYS 566.A NZ TYR 573.A OH no hydrogen 3.531 N/A LYS 566.A NZ GLU 581.A OE2 no hydrogen 2.908 N/A ASN 567.A N ARG 564.A O no hydrogen 2.918 N/A MET 568.A N ARG 564.A O no hydrogen 2.882 N/A LEU 569.A N VAL 565.A O no hydrogen 2.684 N/A SER 571.A N GLU 519.A OE2 no hydrogen 2.850 N/A SER 571.A OG GLU 519.A OE1 no hydrogen 2.996 N/A SER 571.A OG GLU 519.A OE2 no hydrogen 3.052 N/A TYR 573.A N LEU 569.A O no hydrogen 2.924 N/A TYR 573.A OH GLU 581.A OE1 no hydrogen 2.630 N/A ARG 574.A N PRO 570.A O no hydrogen 2.976 N/A GLU 575.A N SER 571.A O no hydrogen 3.196 N/A ASP 576.A N TYR 573.A O no hydrogen 2.998 N/A PHE 579.A N ASP 576.A OD1 no hydrogen 3.263 N/A TYR 580.A N ASP 576.A O no hydrogen 2.999 N/A TYR 580.A OH PRO 686.A O no hydrogen 2.676 N/A MET 583.A N TYR 580.A O no hydrogen 3.324 N/A ARG 584.A NH1 ASN 562.A O no hydrogen 2.908 N/A ILE 585.A N LEU 563.A O no hydrogen 2.903 N/A GLN 586.A N ASN 562.A OD1 no hydrogen 2.975 N/A LEU 588.A N ARG 584.A O no hydrogen 3.116 N/A ALA 589.A N ILE 585.A O no hydrogen 2.992 N/A GLN 590.A N GLN 586.A O no hydrogen 2.856 N/A ASN 591.A N GLU 587.A O no hydrogen 2.790 N/A ASN 591.A ND2 TYR 685.A OH no hydrogen 2.873 N/A ILE 592.A N LEU 588.A O no hydrogen 2.951 N/A HIS 593.A N ALA 589.A O no hydrogen 2.938 N/A LYS 594.A N GLN 590.A O no hydrogen 2.875 N/A LYS 594.A NZ ASP 505.A O no hydrogen 3.169 N/A LEU 595.A N ASN 591.A O no hydrogen 3.116 N/A ILE 596.A N ILE 592.A O no hydrogen 3.020 N/A VAL 597.A N HIS 593.A O no hydrogen 2.909 N/A HIS 598.A N LYS 594.A O no hydrogen 2.716 N/A HIS 599.A N LEU 595.A O no hydrogen 2.846 N/A ASN 600.A N VAL 597.A O no hydrogen 3.122 N/A LEU 601.A N ILE 596.A O no hydrogen 3.103 N/A LEU 604.A N ASN 600.A O no hydrogen 3.027 N/A MET 605.A N LEU 601.A O no hydrogen 2.852 N/A TYR 606.A N PRO 602.A O no hydrogen 3.041 N/A ARG 607.A N ASP 603.A O no hydrogen 3.087 N/A ARG 607.A NE ASP 603.A OD2 no hydrogen 2.866 N/A ARG 607.A NH1 ASP 603.A OD2 no hydrogen 2.988 N/A ALA 608.A N LEU 604.A O no hydrogen 2.918 N/A PHE 609.A N TYR 606.A O no hydrogen 3.408 N/A GLU 610.A N ARG 607.A O no hydrogen 3.236 N/A THR 614.A N MET 663.A O no hydrogen 2.987 N/A VAL 616.A N GLY 661.A O no hydrogen 2.978 N/A MET 617.A N GLY 661.A O no hydrogen 3.115 N/A ALA 621.A N THR 618.A OG1 no hydrogen 3.094 N/A ALA 622.A N THR 618.A O no hydrogen 2.960 N/A PHE 623.A N PRO 619.A O no hydrogen 2.893 N/A GLN 624.A N TYR 620.A O no hydrogen 2.976 N/A LYS 625.A N ALA 621.A O no hydrogen 3.144 N/A GLU 626.A N ALA 622.A O no hydrogen 3.032 N/A LEU 627.A N PHE 623.A O no hydrogen 2.769 N/A HIS 628.A N GLN 624.A O no hydrogen 3.160 N/A HIS 628.A N LYS 625.A O no hydrogen 3.037 N/A HIS 628.A ND1 GLN 624.A O no hydrogen 2.948 N/A GLY 629.A N GLU 626.A O no hydrogen 2.908 N/A MET 630.A N LYS 625.A O no hydrogen 3.065 N/A GLU 632.A N VAL 707.A O no hydrogen 2.840 N/A VAL 634.A N VAL 705.A O no hydrogen 2.996 N/A LEU 636.A N TYR 703.A O no hydrogen 2.860 N/A GLU 638.A N TYR 635.A O no hydrogen 2.848 N/A MET 639.A N LEU 636.A O no hydrogen 3.234 N/A GLY 641.A N ILE 664.A O no hydrogen 2.816 N/A ARG 642.A N MET 639.A O no hydrogen 3.003 N/A ARG 642.A NH1 GLU 632.A OE2 no hydrogen 2.605 N/A ARG 642.A NH1 LEU 708.A O no hydrogen 2.965 N/A ASN 644.A N GLU 662.A O no hydrogen 2.866 N/A ASN 644.A ND2 GLU 662.A O no hydrogen 3.228 N/A ALA 645.A N LYS 706.A O no hydrogen 2.948 N/A ILE 648.A N VAL 658.A O no hydrogen 2.864 N/A LEU 649.A N HIS 693.A O no hydrogen 2.942 N/A TYR 651.A N ASP 691.A O no hydrogen 2.879 N/A GLY 654.A N PRO 650.A O no hydrogen 2.732 N/A LEU 657.A N ILE 648.A O no hydrogen 2.830 N/A VAL 658.A N ILE 648.A O no hydrogen 3.342 N/A MET 659.A N GLU 662.A OE1 no hydrogen 2.794 N/A GLY 661.A N ASN 644.A O no hydrogen 2.802 N/A GLU 662.A N MET 659.A O no hydrogen 3.094 N/A MET 663.A N THR 614.A O no hydrogen 2.846 N/A THR 665.A N SER 668.A OG no hydrogen 2.893 N/A THR 665.A OG1 SER 668.A OG no hydrogen 3.384 N/A SER 668.A N THR 665.A O no hydrogen 3.188 N/A SER 668.A OG THR 665.A OG1 no hydrogen 3.384 N/A ARG 669.A N GLU 666.A O no hydrogen 3.302 N/A ARG 669.A NE GLU 666.A OE1 no hydrogen 3.032 N/A ARG 669.A NE GLU 666.A OE2 no hydrogen 3.408 N/A ARG 669.A NH2 GLU 666.A OE2 no hydrogen 2.677 N/A VAL 671.A N SER 668.A O no hydrogen 2.996 N/A GLU 673.A N ARG 669.A O no hydrogen 2.997 N/A PHE 674.A N PRO 670.A O no hydrogen 3.036 N/A LEU 675.A N VAL 671.A O no hydrogen 3.177 N/A GLN 676.A N LEU 672.A O no hydrogen 2.779 N/A GLN 676.A NE2 ASP 637.A OD1 no hydrogen 2.703 N/A MET 677.A N GLU 673.A O no hydrogen 2.969 N/A LEU 678.A N PHE 674.A O no hydrogen 2.964 N/A CYS 679.A N LEU 675.A O no hydrogen 3.214 N/A CYS 679.A SG LEU 675.A O no hydrogen 3.363 N/A GLU 680.A N GLN 676.A O no hydrogen 3.079 N/A ILE 681.A N MET 677.A O no hydrogen 2.845 N/A GLY 682.A N LEU 678.A O no hydrogen 3.171 N/A ALA 683.A N GLU 680.A O no hydrogen 3.102 N/A GLY 687.A N GLU 689.A OE2 no hydrogen 2.801 N/A PHE 688.A N TYR 685.A O no hydrogen 2.887 N/A GLU 689.A N GLU 689.A OE1 no hydrogen 2.933 N/A THR 690.A OG1 LEU 678.A O no hydrogen 2.801 N/A THR 690.A OG1 CYS 679.A O no hydrogen 3.420 N/A HIS 693.A N LEU 649.A O no hydrogen 2.963 N/A ALA 695.A N ILE 692.A O no hydrogen 3.192 N/A TYR 696.A N THR 704.A O no hydrogen 2.840 N/A GLN 698.A N ARG 702.A O no hydrogen 2.647 N/A GLN 698.A NE2 TYR 696.A O no hydrogen 3.456 N/A GLY 701.A N GLN 698.A O no hydrogen 2.721 N/A ARG 702.A N ASP 700.A OD1 no hydrogen 3.393 N/A ARG 702.A NH2 ASP 637.A OD2 no hydrogen 3.045 N/A THR 704.A N TYR 696.A O no hydrogen 2.876 N/A THR 704.A OG1 GLU 633.A OE1 no hydrogen 3.147 N/A VAL 705.A N VAL 634.A O no hydrogen 2.873 N/A LYS 706.A NZ GLU 626.A OE2 no hydrogen 2.981 N/A LYS 706.A NZ ASN 646.A OD1 no hydrogen 3.351 N/A VAL 707.A N GLU 632.A O no hydrogen 2.815 N/A LEU 708.A N ILE 643.A O no hydrogen 2.851 N/A LYS 709.A N MET 630.A O no hydrogen 2.954 N/A LYS 709.A NZ GLY 629.A O no hydrogen 3.229 N/A