Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aiq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 GLU 26.A OE1 no hydrogen 2.705 N/A ASN 4.A ND2 VAL 83.A O no hydrogen 3.515 N/A VAL 6.A N VAL 81.A O no hydrogen 3.043 N/A THR 7.A N GLN 10.A OE1 no hydrogen 2.861 N/A LYS 11.A N THR 7.A O no hydrogen 3.178 N/A LYS 11.A NZ PRO 75.A O no hydrogen 2.735 N/A LYS 11.A NZ VAL 78.A O no hydrogen 3.496 N/A ASP 12.A N LEU 8.A O no hydrogen 2.973 N/A GLU 13.A N GLN 10.A O no hydrogen 3.316 N/A SER 14.A N LYS 11.A O no hydrogen 3.095 N/A ARG 20.A NH1 GLY 32.A O no hydrogen 2.716 N/A ARG 20.A NH1 GLY 34.A O no hydrogen 2.846 N/A ARG 20.A NH2 GLY 34.A O no hydrogen 3.417 N/A GLU 21.A N ASP 18.A O no hydrogen 3.335 N/A GLU 21.A N ASP 18.A OD1 no hydrogen 3.255 N/A LEU 22.A N ASP 18.A O no hydrogen 3.146 N/A LEU 23.A N MET 19.A O no hydrogen 2.788 N/A LYS 24.A NZ GLU 21.A OE1 no hydrogen 3.086 N/A LYS 24.A NZ ASP 607.A OD1 no hydrogen 3.341 N/A LYS 24.A NZ ASP 607.A OD2 no hydrogen 3.249 N/A GLU 26.A N LEU 23.A O no hydrogen 3.137 N/A SER 28.A N GLU 26.A OE2 no hydrogen 3.066 N/A SER 28.A OG GLU 26.A OE2 no hydrogen 2.954 N/A ASP 30.A N THR 42.A O no hydrogen 2.962 N/A GLY 32.A N PHE 40.A O no hydrogen 2.894 N/A ASN 35.A ND2 GLU 157.A OE1 no hydrogen 2.688 N/A ASN 35.A ND2 SER 178.A O no hydrogen 2.949 N/A GLY 36.A N ASN 35.A OD1 no hydrogen 2.829 N/A THR 37.A OG1 GLU 217.A OE1 no hydrogen 2.405 N/A SER 38.A N ASN 35.A O no hydrogen 3.100 N/A SER 38.A OG ASN 35.A O no hydrogen 3.014 N/A SER 38.A OG GLU 217.A O no hydrogen 2.890 N/A GLN 39.A N GLY 36.A O no hydrogen 3.118 N/A GLN 39.A NE2 GLY 34.A O no hydrogen 3.127 N/A THR 42.A N ASP 30.A O no hydrogen 2.735 N/A THR 42.A OG1 SER 638.A OG no hydrogen 2.617 N/A LEU 43.A N MET 46.A O no hydrogen 2.955 N/A ARG 44.A N SER 28.A O no hydrogen 2.877 N/A ARG 44.A NE GLU 510.A OE1 no hydrogen 3.530 N/A ARG 44.A NH1 GLU 458.A OE1 no hydrogen 3.306 N/A ARG 44.A NH1 GLU 458.A OE2 no hydrogen 3.284 N/A ARG 44.A NH2 GLU 458.A OE1 no hydrogen 3.276 N/A ARG 44.A NH2 GLU 510.A OE2 no hydrogen 2.597 N/A MET 46.A N LEU 43.A O no hydrogen 2.957 N/A GLY 47.A N PHE 548.A O no hydrogen 2.993 N/A GLN 48.A NE2 ARG 70.A O no hydrogen 3.145 N/A ASN 49.A N GLU 547.A O no hydrogen 2.543 N/A SER 50.A N GLY 47.A O no hydrogen 2.974 N/A VAL 51.A N GLY 47.A O no hydrogen 2.953 N/A LYS 54.A N ILE 101.A O no hydrogen 2.941 N/A VAL 55.A N ALA 58.A O no hydrogen 3.138 N/A ASP 56.A N ALA 103.A O no hydrogen 3.005 N/A ASN 57.A ND2 ASN 263.A OD1 no hydrogen 3.451 N/A ALA 58.A N VAL 55.A O no hydrogen 2.932 N/A TYR 59.A OH ILE 94.A O no hydrogen 2.809 N/A SER 62.A N SER 60.A OG no hydrogen 3.094 N/A GLN 63.A NE2 GLU 547.A OE1 no hydrogen 2.963 N/A TYR 66.A N ASP 432.A OD2 no hydrogen 2.899 N/A TYR 66.A OH TYR 281.A OH no hydrogen 3.172 N/A HIS 67.A ND1 GLU 218.A OE2 no hydrogen 2.696 N/A GLN 68.A N LEU 65.A O no hydrogen 2.841 N/A GLY 69.A N THR 37.A O no hydrogen 2.597 N/A ARG 70.A NH1 GLU 547.A OE2 no hydrogen 3.112 N/A ARG 70.A NH2 ASP 61.A O no hydrogen 2.913 N/A ALA 76.A N ASP 74.A OD1 no hydrogen 2.863 N/A LEU 77.A N ASP 74.A O no hydrogen 2.919 N/A VAL 78.A N PRO 75.A O no hydrogen 3.181 N/A LYS 79.A N LYS 104.A O no hydrogen 2.777 N/A VAL 81.A N VAL 6.A O no hydrogen 3.209 N/A SER 82.A N ILE 102.A O no hydrogen 2.759 N/A VAL 83.A N ASN 4.A O no hydrogen 2.873 N/A GLN 84.A N ALA 100.A O no hydrogen 3.060 N/A SER 89.A OG GLU 367.A OE2 no hydrogen 2.951 N/A SER 91.A OG GLU 367.A OE1 no hydrogen 3.441 N/A ALA 92.A N SER 89.A O no hydrogen 3.130 N/A THR 97.A N GLY 95.A O no hydrogen 2.659 N/A THR 97.A OG1 GLY 95.A O no hydrogen 3.555 N/A ALA 100.A N GLN 84.A O no hydrogen 2.912 N/A ILE 101.A N ASP 52.A O no hydrogen 3.109 N/A ILE 102.A N SER 82.A O no hydrogen 2.897 N/A ALA 103.A N LYS 54.A O no hydrogen 3.175 N/A LYS 104.A N VAL 80.A O no hydrogen 3.201 N/A THR 105.A N ASP 56.A OD1 no hydrogen 2.992 N/A THR 105.A OG1 ASP 56.A OD1 no hydrogen 3.193 N/A THR 105.A OG1 ASP 56.A OD2 no hydrogen 2.580 N/A VAL 106.A N LEU 77.A O no hydrogen 2.951 N/A LEU 111.A N ASP 107.A O no hydrogen 3.267 N/A LEU 112.A N ALA 108.A O no hydrogen 2.928 N/A LYS 113.A N ASP 110.A O no hydrogen 3.360 N/A LEU 115.A N LEU 112.A O no hydrogen 3.014 N/A LYS 117.A NZ TRP 119.A O no hydrogen 3.081 N/A LYS 117.A NZ PHE 660.A O no hydrogen 2.693 N/A GLY 120.A N PHE 140.A O no hydrogen 2.848 N/A VAL 121.A N PHE 660.A OXT no hydrogen 3.024 N/A ARG 122.A N SER 138.A O no hydrogen 2.689 N/A ARG 122.A NH2 ASP 12.A OD1 no hydrogen 3.078 N/A LEU 123.A N TYR 658.A O no hydrogen 3.033 N/A ASN 124.A N GLY 136.A O no hydrogen 3.031 N/A SER 125.A N VAL 656.A O no hydrogen 3.044 N/A GLY 126.A N SER 134.A O no hydrogen 2.448 N/A PHE 127.A N LEU 654.A O no hydrogen 2.643 N/A ALA 128.A N GLY 132.A O no hydrogen 2.815 N/A SER 129.A N VAL 652.A O no hydrogen 2.541 N/A ASN 130.A N ASP 651.A OD1 no hydrogen 3.339 N/A ASN 130.A ND2 GLU 161.A O no hydrogen 2.908 N/A ASN 130.A ND2 ARG 650.A O no hydrogen 2.598 N/A GLY 132.A N ALA 128.A O no hydrogen 2.876 N/A VAL 133.A N ASP 156.A O no hydrogen 2.852 N/A SER 134.A N GLY 126.A O no hydrogen 2.888 N/A TYR 135.A N ARG 154.A O no hydrogen 3.095 N/A GLY 136.A N ASN 124.A O no hydrogen 3.065 N/A ALA 137.A N TYR 152.A O no hydrogen 3.017 N/A SER 138.A N ARG 122.A O no hydrogen 2.785 N/A SER 138.A OG SER 151.A OG no hydrogen 2.820 N/A VAL 139.A N PHE 150.A O no hydrogen 2.843 N/A PHE 140.A N GLY 120.A O no hydrogen 3.103 N/A GLY 141.A N GLY 148.A O no hydrogen 2.954 N/A LYS 142.A N ASN 118.A O no hydrogen 2.775 N/A GLU 143.A N PHE 146.A O no hydrogen 2.943 N/A ASN 145.A ND2 THR 192.A O no hydrogen 3.342 N/A PHE 146.A N GLU 143.A O no hydrogen 2.998 N/A ASP 147.A N GLY 190.A O no hydrogen 2.930 N/A GLY 148.A N GLY 141.A O no hydrogen 2.969 N/A LEU 149.A N LYS 188.A O no hydrogen 2.795 N/A PHE 150.A N VAL 139.A O no hydrogen 2.753 N/A SER 151.A N LEU 186.A O no hydrogen 2.937 N/A SER 151.A OG SER 138.A OG no hydrogen 2.820 N/A TYR 152.A N ALA 137.A O no hydrogen 2.898 N/A ASN 153.A N SER 184.A O no hydrogen 2.819 N/A ARG 154.A N TYR 135.A O no hydrogen 3.002 N/A ARG 154.A NE ASP 181.A OD1 no hydrogen 2.842 N/A ARG 154.A NH1 TYR 135.A OH no hydrogen 3.059 N/A ARG 154.A NH2 ASP 181.A OD1 no hydrogen 3.537 N/A ARG 154.A NH2 ASP 181.A OD2 no hydrogen 3.351 N/A ASN 155.A N LYS 182.A O no hydrogen 2.705 N/A ASN 155.A ND2 GLU 157.A OE2 no hydrogen 2.970 N/A ASP 156.A N VAL 133.A O no hydrogen 2.741 N/A GLU 157.A N LEU 180.A O no hydrogen 3.067 N/A LYS 158.A N GLU 131.A O no hydrogen 2.953 N/A TYR 160.A N SER 178.A OG no hydrogen 3.234 N/A TYR 160.A OH PRO 646.A O no hydrogen 2.596 N/A GLU 161.A N ASN 130.A OD1 no hydrogen 2.563 N/A ALA 162.A N LYS 173.A O no hydrogen 3.315 N/A LYS 164.A N ASN 631.A O no hydrogen 2.786 N/A PHE 166.A N GLY 163.A O no hydrogen 3.320 N/A ARG 167.A NH1 GLY 171.A O no hydrogen 2.952 N/A ASN 168.A N GLY 172.A O no hydrogen 2.797 N/A GLY 171.A N ASN 168.A O no hydrogen 3.305 N/A VAL 175.A N TYR 160.A O no hydrogen 2.910 N/A TYR 177.A N GLU 159.A OE2 no hydrogen 2.653 N/A SER 178.A OG VAL 175.A O no hydrogen 2.705 N/A ASP 181.A N ARG 210.A O no hydrogen 2.687 N/A LYS 182.A N ASN 155.A O no hydrogen 2.991 N/A LYS 182.A NZ ASN 35.A OD1 no hydrogen 2.742 N/A LYS 182.A NZ GLU 157.A OE1 no hydrogen 3.527 N/A ARG 183.A N GLN 208.A O no hydrogen 2.915 N/A SER 184.A N ASN 153.A O no hydrogen 2.871 N/A SER 184.A OG ASP 74.A OD2 no hydrogen 3.008 N/A TYR 185.A N GLU 206.A O no hydrogen 3.098 N/A LEU 186.A N SER 151.A O no hydrogen 2.838 N/A ALA 187.A N HIS 204.A O no hydrogen 2.952 N/A LYS 188.A N LEU 149.A O no hydrogen 2.891 N/A LYS 188.A NZ THR 105.A OG1 no hydrogen 2.594 N/A LYS 188.A NZ VAL 106.A O no hydrogen 2.902 N/A ILE 189.A N LEU 202.A O no hydrogen 2.961 N/A GLY 190.A N ASP 147.A O no hydrogen 2.817 N/A THR 191.A N ILE 200.A O no hydrogen 2.741 N/A THR 192.A N ASN 145.A O no hydrogen 2.910 N/A PHE 193.A N HIS 198.A O no hydrogen 2.829 N/A ASP 197.A N GLY 194.A O no hydrogen 3.368 N/A HIS 198.A N PHE 193.A O no hydrogen 3.007 N/A ARG 199.A N THR 250.A O no hydrogen 2.917 N/A ARG 199.A NH1 ASP 147.A OD1 no hydrogen 2.915 N/A ARG 199.A NH1 THR 192.A OG1 no hydrogen 3.088 N/A ARG 199.A NH2 ASP 147.A OD1 no hydrogen 3.272 N/A ARG 199.A NH2 ASP 147.A OD2 no hydrogen 2.584 N/A ILE 200.A N THR 191.A O no hydrogen 2.993 N/A VAL 201.A N ALA 248.A O no hydrogen 2.742 N/A LEU 202.A N ILE 189.A O no hydrogen 2.760 N/A SER 203.A N ASN 246.A O no hydrogen 2.868 N/A HIS 204.A N ALA 187.A O no hydrogen 2.859 N/A HIS 204.A ND1 THR 245.A OG1 no hydrogen 2.793 N/A HIS 204.A NE2 GLU 206.A OE2 no hydrogen 2.803 N/A MET 205.A N ASN 244.A O no hydrogen 2.767 N/A GLU 206.A N TYR 185.A O no hydrogen 3.072 N/A ASP 207.A N GLN 242.A O no hydrogen 2.810 N/A GLN 208.A N ARG 183.A O no hydrogen 2.657 N/A GLN 208.A NE2 THR 241.A OG1 no hydrogen 3.020 N/A HIS 209.A N THR 240.A O no hydrogen 2.718 N/A ARG 210.A N ASP 181.A O no hydrogen 2.963 N/A ARG 210.A NH1 GLN 208.A OE1 no hydrogen 3.152 N/A GLY 211.A N ARG 238.A O no hydrogen 2.941 N/A ARG 213.A N PRO 236.A O no hydrogen 3.220 N/A ARG 213.A NH1 TYR 177.A O no hydrogen 3.235 N/A ARG 213.A NH2 ASN 35.A O no hydrogen 2.822 N/A ARG 213.A NH2 SER 38.A OG no hydrogen 3.135 N/A ARG 213.A NH2 GLU 217.A OE1 no hydrogen 3.060 N/A THR 214.A OG1 ARG 216.A O no hydrogen 2.750 N/A THR 214.A OG1 PHE 219.A O no hydrogen 3.339 N/A VAL 215.A N GLN 233.A O no hydrogen 2.774 N/A ARG 216.A N GLN 233.A OE1 no hydrogen 3.257 N/A ARG 216.A NH1 ARG 232.A O no hydrogen 2.898 N/A GLU 218.A N HIS 67.A O no hydrogen 2.896 N/A PHE 219.A N ARG 216.A O no hydrogen 3.076 N/A GLY 222.A N THR 228.A O no hydrogen 2.764 N/A SER 226.A OG ASP 223.A O no hydrogen 2.837 N/A ASN 229.A ND2 SER 226.A O no hydrogen 3.465 N/A THR 231.A N ASN 229.A OD1 no hydrogen 3.132 N/A THR 231.A OG1 ASN 229.A OD1 no hydrogen 2.928 N/A ARG 232.A N ASN 229.A OD1 no hydrogen 3.418 N/A GLN 233.A N ASN 229.A O no hydrogen 2.813 N/A GLN 233.A NE2 ARG 216.A O no hydrogen 3.440 N/A GLN 233.A NE2 THR 220.A O no hydrogen 2.603 N/A ALA 234.A N ILE 230.A O no hydrogen 3.134 N/A TYR 237.A OH GLU 239.A OE2 no hydrogen 2.582 N/A ARG 238.A N GLY 211.A O no hydrogen 2.954 N/A ARG 238.A NH1 THR 214.A O no hydrogen 2.756 N/A ARG 238.A NH1 GLU 217.A OE2 no hydrogen 3.062 N/A ARG 238.A NH2 THR 214.A O no hydrogen 2.595 N/A GLU 239.A N TYR 272.A O no hydrogen 2.863 N/A THR 240.A N HIS 209.A O no hydrogen 2.758 N/A THR 241.A N LYS 270.A O no hydrogen 3.090 N/A GLN 242.A N ASP 207.A O no hydrogen 2.803 N/A SER 243.A N GLU 268.A O no hydrogen 2.921 N/A SER 243.A OG GLU 206.A OE2 no hydrogen 2.781 N/A ASN 244.A N MET 205.A O no hydrogen 2.869 N/A ASN 244.A ND2 VAL 55.A O no hydrogen 3.670 N/A THR 245.A N VAL 266.A O no hydrogen 3.002 N/A THR 245.A OG1 HIS 204.A ND1 no hydrogen 2.793 N/A ASN 246.A N SER 203.A O no hydrogen 2.909 N/A LEU 247.A N ALA 264.A O no hydrogen 2.867 N/A ALA 248.A N VAL 201.A O no hydrogen 2.587 N/A TYR 249.A N ALA 262.A O no hydrogen 2.802 N/A THR 250.A N ARG 199.A O no hydrogen 2.841 N/A GLY 251.A N LEU 260.A O no hydrogen 2.952 N/A LYS 252.A N ASP 197.A O no hydrogen 3.062 N/A LYS 252.A NZ GLY 196.A O no hydrogen 3.546 N/A ASP 253.A N GLU 258.A O no hydrogen 2.919 N/A LEU 254.A N VAL 257.A O no hydrogen 2.916 N/A VAL 257.A N LEU 254.A O no hydrogen 3.421 N/A GLU 258.A N ASP 303.A O no hydrogen 2.796 N/A LYS 259.A N ASP 303.A O no hydrogen 3.341 N/A LEU 260.A N GLY 251.A O no hydrogen 2.728 N/A ASP 261.A N ASN 301.A O no hydrogen 2.728 N/A ALA 262.A N TYR 249.A O no hydrogen 2.950 N/A ASN 263.A N ASN 299.A O no hydrogen 2.890 N/A ASN 263.A ND2 ASN 57.A O no hydrogen 3.510 N/A ASN 263.A ND2 ASN 246.A OD1 no hydrogen 3.191 N/A ALA 264.A N LEU 247.A O no hydrogen 2.932 N/A TYR 265.A N GLY 297.A O no hydrogen 2.918 N/A VAL 266.A N THR 245.A O no hydrogen 2.888 N/A LEU 267.A N THR 295.A O no hydrogen 2.757 N/A GLU 268.A N SER 243.A O no hydrogen 3.121 N/A LYS 269.A N ILE 293.A O no hydrogen 2.908 N/A LYS 270.A N THR 241.A O no hydrogen 2.924 N/A ARG 271.A N THR 291.A O no hydrogen 2.754 N/A ARG 271.A NH1 ASP 276.A OD2 no hydrogen 3.108 N/A ARG 271.A NH2 ASP 276.A OD1 no hydrogen 3.031 N/A TYR 272.A N GLU 239.A O no hydrogen 2.812 N/A SER 273.A N ASN 289.A O no hydrogen 2.937 N/A SER 273.A OG ASP 276.A OD1 no hydrogen 2.663 N/A ALA 274.A N TYR 237.A O no hydrogen 2.746 N/A LYS 277.A N ASP 275.A OD1 no hydrogen 3.241 N/A LYS 277.A NZ ASP 278.A OD2 no hydrogen 2.954 N/A ASN 279.A N ASP 276.A O no hydrogen 2.904 N/A TYR 281.A OH TYR 66.A OH no hydrogen 3.172 N/A TYR 281.A OH HIS 490.A NE2 no hydrogen 3.058 N/A ALA 282.A N ASN 279.A OD1 no hydrogen 3.425 N/A GLY 283.A N GLY 280.A O no hydrogen 2.960 N/A ASN 284.A N ASN 279.A O no hydrogen 2.842 N/A ASN 284.A ND2 LYS 277.A O no hydrogen 2.952 N/A GLY 287.A N ASP 275.A OD1 no hydrogen 2.676 N/A ASN 289.A N SER 273.A O no hydrogen 3.028 N/A ASN 289.A ND2 ASP 276.A OD2 no hydrogen 2.664 N/A THR 291.A N ARG 271.A O no hydrogen 2.797 N/A ARG 292.A N LYS 324.A O no hydrogen 3.235 N/A ILE 293.A N LYS 269.A O no hydrogen 2.781 N/A THR 294.A N GLU 322.A O no hydrogen 2.851 N/A THR 294.A OG1 GLU 268.A OE1 no hydrogen 2.710 N/A THR 295.A N LEU 267.A O no hydrogen 2.642 N/A ARG 296.A N HIS 320.A O no hydrogen 2.780 N/A GLY 297.A N TYR 265.A O no hydrogen 3.183 N/A MET 298.A N TYR 318.A O no hydrogen 2.740 N/A ASN 299.A N ASN 263.A O no hydrogen 3.016 N/A ASN 299.A ND2 ASN 57.A O no hydrogen 3.632 N/A ASN 299.A ND2 ASN 263.A OD1 no hydrogen 2.687 N/A PHE 300.A N ILE 316.A O no hydrogen 2.903 N/A ASN 301.A N ASP 261.A O no hydrogen 2.704 N/A ASN 301.A ND2 ASP 261.A O no hydrogen 3.608 N/A ASN 301.A ND2 ASP 261.A OD1 no hydrogen 2.848 N/A PHE 302.A N TYR 314.A O no hydrogen 2.729 N/A ASP 303.A N LYS 259.A O no hydrogen 2.795 N/A SER 304.A N LEU 312.A O no hydrogen 2.754 N/A LEU 306.A N THR 310.A O no hydrogen 2.799 N/A THR 310.A N ALA 307.A O no hydrogen 3.183 N/A LEU 311.A N ILE 369.A O no hydrogen 2.899 N/A LEU 312.A N SER 304.A O no hydrogen 2.723 N/A LYS 313.A N GLU 367.A O no hydrogen 2.686 N/A LYS 313.A NZ ASP 303.A OD1 no hydrogen 2.919 N/A LYS 313.A NZ ASP 303.A OD2 no hydrogen 3.390 N/A TYR 314.A N PHE 302.A O no hydrogen 2.946 N/A TYR 314.A OH SER 304.A OG no hydrogen 2.567 N/A GLY 315.A N TYR 365.A O no hydrogen 3.222 N/A ILE 316.A N PHE 300.A O no hydrogen 3.065 N/A ASN 317.A N GLY 363.A O no hydrogen 2.979 N/A ASN 317.A ND2 ASN 299.A OD1 no hydrogen 2.919 N/A TYR 318.A N MET 298.A O no hydrogen 2.742 N/A ARG 319.A N ASP 361.A O no hydrogen 2.887 N/A ARG 319.A NH1 TYR 59.A O no hydrogen 3.424 N/A ARG 319.A NH2 ASP 361.A OD2 no hydrogen 2.796 N/A HIS 320.A N ARG 296.A O no hydrogen 2.485 N/A GLN 321.A N LYS 359.A O no hydrogen 2.868 N/A GLU 322.A N THR 294.A O no hydrogen 2.775 N/A ILE 323.A N PRO 357.A O no hydrogen 3.203 N/A LYS 324.A N ARG 292.A O no hydrogen 2.809 N/A LYS 324.A NZ THR 294.A OG1 no hydrogen 3.216 N/A GLN 326.A NE2 PRO 288.A O no hydrogen 3.000 N/A LEU 329.A N HIS 437.A O no hydrogen 2.996 N/A ASN 330.A ND2 VAL 349.A O no hydrogen 3.288 N/A ASN 330.A ND2 TYR 352.A O no hydrogen 2.740 N/A GLU 332.A N LEU 329.A O no hydrogen 2.874 N/A PHE 333.A N ASN 330.A O no hydrogen 3.072 N/A LYS 341.A NZ ASP 345.A OD2 no hydrogen 2.859 N/A LYS 343.A N LYS 339.A O no hydrogen 3.247 N/A LYS 344.A N ALA 340.A O no hydrogen 3.141 N/A ASP 345.A N LYS 341.A O no hydrogen 2.784 N/A MET 346.A N ASP 342.A O no hydrogen 2.650 N/A ASP 347.A N LYS 343.A O no hydrogen 3.038 N/A LEU 348.A N LYS 344.A O no hydrogen 3.104 N/A VAL 349.A N ASP 345.A O no hydrogen 3.105 N/A HIS 350.A N MET 346.A O no hydrogen 2.908 N/A HIS 350.A NE2 PHE 333.A O no hydrogen 3.078 N/A SER 351.A N ASP 347.A O no hydrogen 3.159 N/A SER 351.A N LEU 348.A O no hydrogen 3.070 N/A SER 351.A OG LEU 348.A O no hydrogen 2.953 N/A TYR 352.A N VAL 349.A O no hydrogen 3.288 N/A SER 355.A N HIS 391.A O no hydrogen 2.862 N/A ASN 356.A ND2 GLU 322.A OE2 no hydrogen 2.915 N/A THR 358.A N LYS 389.A O no hydrogen 2.812 N/A LYS 359.A N GLN 321.A O no hydrogen 3.145 N/A LYS 359.A NZ ASP 61.A OD1 no hydrogen 3.378 N/A LYS 359.A NZ ASP 61.A OD2 no hydrogen 2.773 N/A LYS 359.A NZ SER 427.A O no hydrogen 3.385 N/A LYS 359.A NZ SER 427.A OG no hydrogen 2.840 N/A LYS 359.A NZ PRO 428.A O no hydrogen 2.921 N/A THR 360.A N LYS 387.A O no hydrogen 2.971 N/A ASP 361.A N ARG 319.A O no hydrogen 2.794 N/A THR 362.A N ARG 385.A O no hydrogen 2.706 N/A GLY 363.A N ASN 317.A O no hydrogen 2.777 N/A ALA 364.A N TYR 383.A O no hydrogen 2.955 N/A TYR 365.A N GLY 315.A O no hydrogen 3.093 N/A TYR 365.A OH ASN 301.A OD1 no hydrogen 2.352 N/A ILE 366.A N LEU 381.A O no hydrogen 2.896 N/A GLU 367.A N LYS 313.A O no hydrogen 2.775 N/A ALA 368.A N GLY 379.A O no hydrogen 2.937 N/A ILE 369.A N LEU 311.A O no hydrogen 2.885 N/A HIS 370.A N LEU 377.A O no hydrogen 2.737 N/A GLU 371.A N GLN 309.A O no hydrogen 3.137 N/A LEU 372.A N PHE 375.A O no hydrogen 2.745 N/A PHE 375.A N LEU 372.A O no hydrogen 3.226 N/A THR 376.A N ILE 408.A O no hydrogen 2.811 N/A LEU 377.A N HIS 370.A O no hydrogen 2.659 N/A THR 378.A N GLY 406.A O no hydrogen 3.080 N/A GLY 379.A N ALA 368.A O no hydrogen 3.134 N/A GLY 380.A N SER 404.A O no hydrogen 2.626 N/A LEU 381.A N ILE 366.A O no hydrogen 2.788 N/A ARG 382.A N ASN 402.A O no hydrogen 3.015 N/A ARG 382.A NE ASP 384.A OD1 no hydrogen 3.227 N/A ARG 382.A NE ASP 384.A OD2 no hydrogen 3.298 N/A ARG 382.A NH1 ALA 90.A O no hydrogen 2.900 N/A ARG 382.A NH1 ASN 317.A OD1 no hydrogen 3.188 N/A ARG 382.A NH2 ASN 317.A OD1 no hydrogen 3.097 N/A ARG 382.A NH2 ASP 384.A OD1 no hydrogen 2.788 N/A TYR 383.A N ALA 364.A O no hydrogen 2.715 N/A ASP 384.A N ASN 400.A O no hydrogen 2.889 N/A ARG 385.A N THR 362.A O no hydrogen 2.884 N/A PHE 386.A N SER 398.A O no hydrogen 3.153 N/A LYS 387.A N THR 360.A O no hydrogen 2.897 N/A VAL 388.A N VAL 396.A O no hydrogen 2.767 N/A LYS 389.A N THR 358.A O no hydrogen 2.739 N/A LYS 389.A NZ ASN 356.A O no hydrogen 2.600 N/A LYS 389.A NZ THR 390.A O no hydrogen 3.344 N/A THR 390.A N LYS 394.A O no hydrogen 3.134 N/A THR 390.A OG1 ASP 392.A OD1 no hydrogen 2.919 N/A THR 390.A OG1 LYS 394.A O no hydrogen 3.401 N/A HIS 391.A ND1 THR 436.A O no hydrogen 2.775 N/A GLY 393.A N THR 390.A O no hydrogen 2.820 N/A LYS 394.A N ASP 392.A OD1 no hydrogen 3.167 N/A LYS 394.A NZ ILE 445.A O no hydrogen 3.037 N/A LYS 394.A NZ ASP 447.A OD1 no hydrogen 3.369 N/A THR 395.A OG1 GLY 393.A O no hydrogen 3.470 N/A VAL 396.A N VAL 388.A O no hydrogen 3.013 N/A SER 397.A OG PHE 386.A O no hydrogen 3.238 N/A SER 398.A N PHE 386.A O no hydrogen 3.414 N/A ASN 400.A N ASP 384.A O no hydrogen 2.813 N/A ASN 402.A N ARG 382.A O no hydrogen 2.667 N/A SER 404.A N GLY 380.A O no hydrogen 2.893 N/A PHE 405.A N HIS 421.A O no hydrogen 2.953 N/A GLY 406.A N THR 378.A O no hydrogen 2.921 N/A VAL 407.A N SER 419.A O no hydrogen 2.960 N/A ILE 408.A N THR 376.A O no hydrogen 3.096 N/A TRP 409.A N PHE 417.A O no hydrogen 2.775 N/A GLN 410.A N GLY 374.A O no hydrogen 2.694 N/A HIS 414.A N HIS 412.A ND1 no hydrogen 3.040 N/A TRP 415.A N HIS 412.A O no hydrogen 3.253 N/A SER 416.A N ASN 462.A O no hydrogen 2.958 N/A PHE 417.A N TRP 409.A O no hydrogen 2.809 N/A SER 418.A N GLY 460.A O no hydrogen 2.920 N/A SER 419.A N VAL 407.A O no hydrogen 2.955 N/A SER 420.A N GLU 458.A O no hydrogen 2.844 N/A HIS 421.A N PHE 405.A O no hydrogen 2.967 N/A ASN 422.A N ASN 456.A O no hydrogen 2.960 N/A TYR 423.A N PRO 403.A O no hydrogen 2.969 N/A ALA 424.A N ALA 454.A O no hydrogen 3.064 N/A SER 425.A OG ASP 384.A OD2 no hydrogen 3.396 N/A ARG 426.A N GLU 452.A O no hydrogen 2.811 N/A ARG 426.A NE ASN 49.A O no hydrogen 3.273 N/A ARG 426.A NH1 ASP 52.A OD1 no hydrogen 3.419 N/A ARG 426.A NH1 ASP 52.A OD2 no hydrogen 2.741 N/A ARG 426.A NH1 GLY 95.A O no hydrogen 3.116 N/A ARG 426.A NH2 ASP 52.A OD1 no hydrogen 2.673 N/A SER 427.A OG ASP 361.A OD1 no hydrogen 2.544 N/A SER 427.A OG ASP 361.A OD2 no hydrogen 3.277 N/A ARG 429.A NE ASN 49.A O no hydrogen 2.895 N/A ARG 429.A NE ASN 49.A OD1 no hydrogen 3.271 N/A ARG 429.A NH1 SER 427.A O no hydrogen 3.063 N/A ARG 429.A NH2 ASN 49.A O no hydrogen 3.211 N/A ARG 429.A NH2 GLU 452.A OE1 no hydrogen 2.670 N/A ARG 429.A NH2 GLU 452.A OE2 no hydrogen 2.784 N/A TYR 431.A OH PRO 486.A O no hydrogen 3.267 N/A ALA 433.A N GLN 63.A O no hydrogen 2.790 N/A LEU 434.A N ILE 64.A O no hydrogen 2.983 N/A GLN 435.A N ASP 432.A O no hydrogen 3.161 N/A GLN 435.A NE2 ARG 489.A O no hydrogen 3.669 N/A THR 436.A N ALA 433.A O no hydrogen 3.091 N/A THR 436.A OG1 ASP 432.A O no hydrogen 3.328 N/A THR 436.A OG1 ALA 433.A O no hydrogen 2.796 N/A HIS 437.A NE2 TYR 281.A O no hydrogen 2.537 N/A GLY 438.A N GLN 435.A O no hydrogen 3.047 N/A LYS 439.A N HIS 437.A ND1 no hydrogen 3.259 N/A LYS 439.A NZ GLY 283.A O no hydrogen 3.477 N/A LYS 439.A NZ ASN 284.A OD1 no hydrogen 3.361 N/A LYS 439.A NZ GLU 332.A OE1 no hydrogen 2.975 N/A ARG 440.A NH1 ARG 489.A O no hydrogen 3.059 N/A GLY 441.A N GLY 438.A O no hydrogen 2.585 N/A ILE 442.A N ALA 494.A O no hydrogen 2.720 N/A ILE 443.A N HIS 391.A NE2 no hydrogen 2.909 N/A SER 444.A N ARG 496.A O no hydrogen 2.771 N/A SER 444.A OG ASP 392.A OD1 no hydrogen 3.465 N/A SER 444.A OG ASP 392.A OD2 no hydrogen 2.669 N/A ALA 446.A N ALA 498.A O no hydrogen 3.026 N/A LYS 450.A N ASN 500.A OD1 no hydrogen 2.683 N/A ARG 453.A N LYS 480.A O no hydrogen 2.937 N/A ARG 453.A NE ASN 402.A OD1 no hydrogen 3.355 N/A ARG 453.A NH2 LEU 401.A O no hydrogen 2.914 N/A ALA 454.A N ALA 424.A O no hydrogen 2.687 N/A ARG 455.A N THR 478.A O no hydrogen 2.749 N/A ASN 456.A N ASN 422.A O no hydrogen 2.685 N/A ASN 456.A ND2 THR 97.A O no hydrogen 3.528 N/A ASN 456.A ND2 GLN 477.A OE1 no hydrogen 2.510 N/A THR 457.A N TRP 476.A O no hydrogen 2.727 N/A GLU 458.A N SER 420.A O no hydrogen 2.936 N/A ILE 459.A N TYR 474.A O no hydrogen 3.032 N/A GLY 460.A N SER 418.A O no hydrogen 2.973 N/A PHE 461.A N GLY 472.A O no hydrogen 3.113 N/A ASN 462.A N SER 416.A O no hydrogen 2.812 N/A TYR 463.A N ALA 470.A O no hydrogen 2.770 N/A TYR 463.A OH ASP 465.A OD2 no hydrogen 2.248 N/A ASN 464.A N HIS 414.A O no hydrogen 3.019 N/A ASP 465.A N PHE 468.A O no hydrogen 3.131 N/A GLY 466.A N ASN 464.A OD1 no hydrogen 3.172 N/A THR 467.A N ASP 465.A OD1 no hydrogen 2.679 N/A PHE 468.A N ASP 465.A OD1 no hydrogen 2.918 N/A ALA 469.A N SER 514.A O no hydrogen 3.117 N/A ALA 470.A N TYR 463.A O no hydrogen 2.776 N/A ASN 471.A N GLY 512.A O no hydrogen 2.763 N/A GLY 472.A N PHE 461.A O no hydrogen 3.296 N/A SER 473.A N GLU 510.A O no hydrogen 2.967 N/A TYR 474.A N ILE 459.A O no hydrogen 2.799 N/A TYR 474.A OH HIS 507.A ND1 no hydrogen 3.083 N/A PHE 475.A N GLY 508.A O no hydrogen 2.916 N/A TRP 476.A N THR 457.A O no hydrogen 2.724 N/A GLN 477.A N ASN 506.A O no hydrogen 2.838 N/A GLN 477.A NE2 ASN 98.A OD1 no hydrogen 3.165 N/A THR 478.A N ARG 455.A O no hydrogen 2.910 N/A ILE 479.A N ILE 504.A O no hydrogen 2.709 N/A LYS 480.A N ARG 453.A O no hydrogen 2.818 N/A ALA 482.A N GLY 502.A O no hydrogen 2.981 N/A LEU 483.A N GLU 452.A OE2 no hydrogen 3.092 N/A ALA 484.A N VAL 499.A O no hydrogen 2.822 N/A ASN 485.A ND2 ARG 429.A O no hydrogen 3.076 N/A ARG 489.A NE ASP 432.A OD2 no hydrogen 3.151 N/A ARG 489.A NH1 GLN 487.A O no hydrogen 3.497 N/A ARG 489.A NH2 ASP 432.A OD1 no hydrogen 2.557 N/A ARG 489.A NH2 ASP 432.A OD2 no hydrogen 3.276 N/A HIS 490.A NE2 TYR 281.A OH no hydrogen 3.058 N/A SER 492.A OG GLU 334.A O no hydrogen 3.143 N/A ARG 496.A N ILE 442.A O no hydrogen 3.024 N/A ARG 496.A NH1 ASN 488.A O no hydrogen 2.888 N/A ARG 496.A NH2 ASN 488.A O no hydrogen 3.461 N/A ALA 498.A N SER 444.A O no hydrogen 2.733 N/A VAL 499.A N ALA 484.A O no hydrogen 3.268 N/A ASN 500.A ND2 LYS 450.A O no hydrogen 2.791 N/A ASN 500.A ND2 ASP 481.A O no hydrogen 3.015 N/A ALA 501.A N ALA 482.A O no hydrogen 2.759 N/A TYR 503.A N TYR 534.A O no hydrogen 2.858 N/A ILE 504.A N ILE 479.A O no hydrogen 2.804 N/A LYS 505.A N ARG 532.A O no hydrogen 2.932 N/A LYS 505.A NZ THR 478.A OG1 no hydrogen 2.995 N/A ASN 506.A N GLN 477.A O no hydrogen 3.124 N/A ASN 506.A ND2 ARG 44.A O no hydrogen 2.905 N/A HIS 507.A ND1 TYR 474.A OH no hydrogen 3.083 N/A GLY 508.A N PHE 475.A O no hydrogen 3.135 N/A TYR 509.A N HIS 528.A O no hydrogen 3.001 N/A GLU 510.A N SER 473.A O no hydrogen 3.120 N/A LEU 511.A N VAL 526.A O no hydrogen 3.048 N/A GLY 512.A N ASN 471.A O no hydrogen 2.935 N/A ALA 513.A N VAL 524.A O no hydrogen 3.216 N/A SER 514.A N ALA 469.A O no hydrogen 2.808 N/A TYR 515.A N ALA 522.A O no hydrogen 2.815 N/A ARG 516.A N THR 467.A O no hydrogen 3.293 N/A THR 517.A N LEU 520.A O no hydrogen 2.962 N/A LEU 520.A N THR 517.A O no hydrogen 2.930 N/A THR 521.A N ALA 561.A O no hydrogen 3.037 N/A ALA 522.A N TYR 515.A O no hydrogen 2.718 N/A LYS 523.A N SER 559.A O no hydrogen 3.180 N/A VAL 524.A N ALA 513.A O no hydrogen 2.937 N/A GLY 525.A N THR 557.A O no hydrogen 3.090 N/A VAL 526.A N LEU 511.A O no hydrogen 3.031 N/A SER 527.A N ALA 555.A O no hydrogen 2.998 N/A HIS 528.A N TYR 509.A O no hydrogen 2.996 N/A LYS 530.A N ASN 506.A OD1 no hydrogen 3.028 N/A ARG 532.A N LYS 505.A O no hydrogen 2.689 N/A ARG 532.A NH1 PRO 531.A O no hydrogen 2.925 N/A PHE 533.A N ILE 585.A O no hydrogen 2.546 N/A TYR 534.A N TYR 503.A O no hydrogen 2.806 N/A THR 536.A N ALA 501.A O no hydrogen 2.970 N/A THR 536.A OG1 ALA 501.A O no hydrogen 3.323 N/A LYS 539.A N HIS 537.A ND1 no hydrogen 3.272 N/A LEU 542.A N ASP 535.A OD1 no hydrogen 3.135 N/A ASN 545.A N SER 543.A OG no hydrogen 3.277 N/A PHE 548.A N ASN 545.A O no hydrogen 2.994 N/A GLY 549.A N PRO 546.A O no hydrogen 3.216 N/A ALA 550.A N GLY 45.A O no hydrogen 3.206 N/A GLY 553.A N HIS 637.A ND1 no hydrogen 3.173 N/A ALA 555.A N SER 527.A O no hydrogen 2.988 N/A TRP 556.A N TYR 577.A O no hydrogen 2.867 N/A TRP 556.A NE1 GLN 579.A OE1 no hydrogen 3.168 N/A THR 557.A N GLY 525.A O no hydrogen 2.824 N/A THR 557.A OG1 GLU 25.A O no hydrogen 3.025 N/A ALA 558.A N GLY 575.A O no hydrogen 2.951 N/A SER 559.A N LYS 523.A O no hydrogen 3.203 N/A SER 559.A OG GLU 25.A OE1 no hydrogen 3.261 N/A SER 559.A OG GLU 25.A OE2 no hydrogen 2.859 N/A LEU 560.A N TRP 573.A O no hydrogen 2.896 N/A ALA 561.A N THR 521.A O no hydrogen 3.138 N/A TYR 562.A N ILE 571.A O no hydrogen 2.662 N/A ARG 563.A N GLY 519.A O no hydrogen 2.885 N/A ARG 563.A NE ASN 568.A OD1 no hydrogen 3.167 N/A ARG 563.A NH1 GLU 13.A OE1 no hydrogen 3.244 N/A ARG 563.A NH1 ASN 611.A OD1 no hydrogen 3.368 N/A ARG 563.A NH2 ASN 611.A OD1 no hydrogen 2.311 N/A PHE 564.A N LEU 569.A O no hydrogen 2.607 N/A ASN 566.A ND2 GLN 565.A O no hydrogen 3.645 N/A GLU 570.A N ASN 611.A O no hydrogen 3.005 N/A ILE 571.A N TYR 562.A O no hydrogen 2.884 N/A GLY 572.A N PHE 609.A O no hydrogen 2.952 N/A TRP 573.A N LEU 560.A O no hydrogen 2.653 N/A ARG 574.A N ASP 607.A O no hydrogen 2.804 N/A ARG 574.A NE GLU 25.A OE1 no hydrogen 3.129 N/A GLY 575.A N ALA 558.A O no hydrogen 2.815 N/A ARG 576.A N VAL 605.A O no hydrogen 2.973 N/A ARG 576.A NH1 LYS 24.A O no hydrogen 3.038 N/A ARG 576.A NH1 GLU 26.A O no hydrogen 3.335 N/A ARG 576.A NH2 ILE 29.A O no hydrogen 2.897 N/A ARG 576.A NH2 ASP 30.A OD1 no hydrogen 2.985 N/A TYR 577.A N TRP 556.A O no hydrogen 2.882 N/A TYR 577.A OH ASN 606.A OD1 no hydrogen 2.864 N/A VAL 578.A N PHE 603.A O no hydrogen 2.895 N/A GLN 579.A N ARG 554.A O no hydrogen 3.200 N/A ALA 581.A N ARG 600.A O no hydrogen 3.164 N/A GLY 583.A N VAL 598.A O no hydrogen 3.200 N/A SER 584.A OG GLN 590.A OE1 no hydrogen 3.041 N/A LEU 586.A N SER 584.A OG no hydrogen 3.230 N/A VAL 587.A N PHE 533.A O no hydrogen 3.023 N/A GLY 589.A N LEU 586.A O no hydrogen 3.278 N/A GLN 590.A NE2 GLU 596.A OE1 no hydrogen 3.006 N/A ASP 592.A N LYS 594.A O no hydrogen 2.777 N/A GLU 596.A N GLN 590.A O no hydrogen 2.671 N/A ARG 600.A N ALA 581.A O no hydrogen 2.839 N/A PHE 603.A N VAL 578.A O no hydrogen 2.984 N/A VAL 605.A N ARG 576.A O no hydrogen 2.887 N/A ASP 607.A N ARG 574.A O no hydrogen 2.798 N/A VAL 608.A N VAL 626.A O no hydrogen 2.975 N/A PHE 609.A N GLY 572.A O no hydrogen 2.947 N/A ALA 610.A N LEU 624.A O no hydrogen 2.648 N/A ASN 611.A N GLU 570.A O no hydrogen 3.027 N/A ASN 611.A ND2 ASN 621.A OD1 no hydrogen 3.388 N/A ASN 611.A ND2 ASN 623.A OD1 no hydrogen 2.596 N/A TRP 612.A N VAL 622.A O no hydrogen 2.911 N/A LYS 613.A N ASN 568.A O no hydrogen 2.843 N/A LYS 613.A NZ GLU 13.A OE2 no hydrogen 2.709 N/A LYS 613.A NZ ASP 618.A OD1 no hydrogen 3.336 N/A GLY 616.A N LYS 613.A O no hydrogen 2.987 N/A ASN 621.A N ASN 657.A O no hydrogen 2.930 N/A ASN 621.A ND2 ASP 618.A O no hydrogen 3.573 N/A VAL 622.A N TRP 612.A O no hydrogen 2.845 N/A ASN 623.A N GLY 655.A O no hydrogen 2.784 N/A ASN 623.A ND2 ASP 12.A O no hydrogen 3.062 N/A LEU 624.A N ALA 610.A O no hydrogen 2.859 N/A SER 625.A N ARG 653.A O no hydrogen 2.759 N/A VAL 626.A N VAL 608.A O no hydrogen 2.836 N/A ASN 627.A N ASP 651.A O no hydrogen 2.732 N/A ASN 628.A N ASP 607.A OD1 no hydrogen 3.094 N/A ASN 628.A ND2 THR 632.A O no hydrogen 3.018 N/A ASN 628.A ND2 VAL 648.A O no hydrogen 2.792 N/A VAL 629.A N ASN 606.A O no hydrogen 3.017 N/A ASN 631.A N ASN 628.A O no hydrogen 2.724 N/A THR 632.A N ASN 628.A OD1 no hydrogen 2.835 N/A THR 632.A OG1 GLY 604.A O no hydrogen 3.140 N/A THR 632.A OG1 ASN 628.A OD1 no hydrogen 3.531 N/A HIS 637.A NE2 LYS 601.A O no hydrogen 2.761 N/A SER 638.A OG ASP 30.A O no hydrogen 3.152 N/A SER 638.A OG ASP 30.A OD2 no hydrogen 2.977 N/A SER 638.A OG THR 42.A OG1 no hydrogen 2.617 N/A GLN 639.A N HIS 637.A O no hydrogen 2.943 N/A GLN 639.A NE2 LEU 645.A O no hydrogen 3.683 N/A ARG 640.A NE GLU 218.A OE2 no hydrogen 3.304 N/A ARG 640.A NH1 ASN 545.A OD1 no hydrogen 2.898 N/A ARG 640.A NH2 GLU 218.A OE2 no hydrogen 3.146 N/A TRP 641.A NE1 GLU 596.A OE1 no hydrogen 3.033 N/A LEU 645.A N THR 644.A OG1 no hydrogen 2.775 N/A GLY 647.A N TYR 634.A O no hydrogen 3.059 N/A GLY 649.A N GLU 161.A O no hydrogen 2.831 N/A ARG 650.A N ASN 631.A OD1 no hydrogen 2.802 N/A ARG 650.A NE VAL 629.A O no hydrogen 3.163 N/A ARG 650.A NH2 VAL 629.A O no hydrogen 2.743 N/A ASP 651.A N ASN 627.A O no hydrogen 2.881 N/A VAL 652.A N SER 129.A OG no hydrogen 2.887 N/A ARG 653.A N SER 625.A O no hydrogen 2.980 N/A ARG 653.A NE THR 15.A O no hydrogen 3.201 N/A ARG 653.A NH1 ASP 651.A OD2 no hydrogen 2.597 N/A ARG 653.A NH2 THR 15.A O no hydrogen 3.449 N/A LEU 654.A N PHE 127.A O no hydrogen 2.972 N/A GLY 655.A N ASN 623.A O no hydrogen 3.171 N/A VAL 656.A N SER 125.A O no hydrogen 2.802 N/A ASN 657.A N ASN 621.A O no hydrogen 2.973 N/A TYR 658.A N LEU 123.A O no hydrogen 2.874 N/A LYS 659.A N THR 619.A O no hydrogen 2.868 N/A PHE 660.A N VAL 121.A O no hydrogen 3.065 N/A