Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1tu5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 7.A N GLU 10.A OE1 no hydrogen 2.801 N/A SER 7.A OG GLU 10.A OE1 no hydrogen 3.484 N/A GLU 10.A N SER 7.A OG no hydrogen 3.394 N/A LEU 11.A N SER 7.A O no hydrogen 2.809 N/A THR 12.A N ARG 8.A O no hydrogen 3.054 N/A THR 12.A OG1 ARG 8.A O no hydrogen 3.042 N/A THR 13.A N GLU 9.A O no hydrogen 2.977 N/A THR 13.A OG1 GLU 9.A O no hydrogen 3.067 N/A VAL 14.A N GLU 10.A O no hydrogen 2.940 N/A MET 15.A N LEU 11.A O no hydrogen 3.103 N/A SER 16.A N THR 12.A O no hydrogen 2.868 N/A SER 16.A OG THR 12.A O no hydrogen 3.331 N/A PHE 17.A N THR 13.A O no hydrogen 2.891 N/A LEU 18.A N VAL 14.A O no hydrogen 2.828 N/A THR 19.A N MET 15.A O no hydrogen 3.005 N/A THR 19.A OG1 MET 15.A O no hydrogen 3.044 N/A GLN 20.A N SER 16.A O no hydrogen 3.044 N/A GLN 20.A NE2 GLN 21.A OE1 no hydrogen 2.618 N/A GLN 21.A N PHE 17.A O no hydrogen 2.823 N/A LEU 22.A N LEU 18.A O no hydrogen 2.889 N/A LEU 26.A N PRO 24.A O no hydrogen 2.471 N/A VAL 27.A N ASN 37.A O no hydrogen 2.943 N/A ALA 30.A N ASP 28.A OD2 no hydrogen 2.935 N/A GLN 31.A N ASP 28.A O no hydrogen 2.998 N/A GLN 31.A NE2 ALA 30.A O no hydrogen 3.178 N/A ALA 32.A N ALA 29.A O no hydrogen 3.384 N/A ARG 33.A N ASP 36.A OD2 no hydrogen 2.828 N/A ARG 33.A NH1 GLN 31.A O no hydrogen 3.389 N/A ASP 36.A N ARG 33.A O no hydrogen 2.775 N/A ASN 37.A ND2 ASP 25.A O no hydrogen 3.130 N/A CYS 38.A N PHE 72.A O no hydrogen 3.226 N/A PHE 40.A N ILE 70.A O no hydrogen 2.737 N/A SER 41.A N ILE 70.A O no hydrogen 3.396 N/A VAL 42.A N VAL 331.A O no hydrogen 2.922 N/A GLU 43.A N LEU 68.A O no hydrogen 3.247 N/A GLN 45.A N GLU 66.A O no hydrogen 2.830 N/A GLN 45.A NE2 LEU 46.A O no hydrogen 3.045 N/A LYS 49.A N GLU 553.A OE1 no hydrogen 3.397 N/A LYS 49.A NZ ASP 443.A OD1 no hydrogen 3.494 N/A LYS 49.A NZ ASP 443.A OD2 no hydrogen 2.907 N/A LYS 49.A NZ ASP 445.A OD1 no hydrogen 3.209 N/A LYS 49.A NZ ASP 445.A OD2 no hydrogen 3.209 N/A LYS 49.A NZ ASP 587.A OD1 no hydrogen 3.132 N/A LYS 49.A NZ ASP 587.A OD2 no hydrogen 2.657 N/A ALA 52.A N PRO 48.A O no hydrogen 3.010 N/A LEU 53.A N LYS 49.A O no hydrogen 2.773 N/A ALA 54.A N ALA 50.A O no hydrogen 2.899 N/A HIS 55.A N ALA 51.A O no hydrogen 3.025 N/A HIS 55.A ND1 SER 60.A O no hydrogen 2.650 N/A LEU 56.A N ALA 52.A O no hydrogen 2.816 N/A ASP 57.A N LEU 53.A O no hydrogen 2.760 N/A ARG 58.A N ALA 54.A O no hydrogen 2.960 N/A GLY 59.A N HIS 55.A O no hydrogen 3.251 N/A SER 60.A N ALA 54.A O no hydrogen 3.032 N/A SER 60.A OG ALA 54.A O no hydrogen 3.451 N/A ARG 65.A NE GLU 10.A OE2 no hydrogen 2.713 N/A ARG 65.A NH1 ALA 4.A O no hydrogen 3.117 N/A ARG 65.A NH2 ALA 4.A O no hydrogen 2.757 N/A ARG 65.A NH2 GLU 10.A OE1 no hydrogen 3.188 N/A ALA 67.A N VAL 86.A O no hydrogen 3.046 N/A LEU 68.A N GLU 43.A O no hydrogen 2.744 N/A ALA 69.A N LEU 84.A O no hydrogen 2.697 N/A ILE 70.A N SER 41.A O no hydrogen 3.035 N/A VAL 71.A N THR 82.A O no hydrogen 2.753 N/A PHE 72.A N CYS 38.A O no hydrogen 2.839 N/A PHE 73.A N ASN 80.A O no hydrogen 2.747 N/A GLY 74.A N ASP 36.A O no hydrogen 3.304 N/A GLY 75.A N ASN 37.A OD1 no hydrogen 2.887 N/A GLN 76.A NE2 GLN 78.A O no hydrogen 2.828 N/A ASN 80.A N PHE 73.A O no hydrogen 3.071 N/A VAL 81.A N LEU 107.A O no hydrogen 3.293 N/A THR 82.A N VAL 71.A O no hydrogen 2.877 N/A THR 82.A OG1 ASN 80.A OD1 no hydrogen 2.987 N/A GLU 83.A N THR 99.A OG1 no hydrogen 2.896 N/A LEU 84.A N ALA 69.A O no hydrogen 2.706 N/A VAL 85.A N ARG 96.A O no hydrogen 2.869 N/A VAL 86.A N ALA 67.A O no hydrogen 2.867 N/A GLY 87.A N TYR 94.A O no hydrogen 3.268 N/A LEU 89.A N ARG 65.A O no hydrogen 2.751 N/A SER 93.A N GLY 87.A O no hydrogen 3.051 N/A TYR 94.A N GLY 87.A O no hydrogen 3.171 N/A TYR 94.A OH GLU 66.A OE1 no hydrogen 2.569 N/A ARG 96.A N VAL 85.A O no hydrogen 2.896 N/A ARG 96.A NH1 GLU 101.A OE1 no hydrogen 3.360 N/A VAL 98.A N GLU 83.A O no hydrogen 3.088 N/A THR 99.A N ASP 97.A OD2 no hydrogen 3.120 N/A THR 99.A OG1 ASP 97.A OD2 no hydrogen 2.943 N/A ARG 102.A N VAL 98.A O no hydrogen 3.111 N/A ARG 102.A N THR 99.A O no hydrogen 3.352 N/A ARG 102.A NH1 GLN 45.A OE1 no hydrogen 3.533 N/A ARG 102.A NH2 GLN 45.A OE1 no hydrogen 2.976 N/A HIS 103.A N THR 99.A O no hydrogen 3.061 N/A HIS 103.A NE2 GLU 83.A OE2 no hydrogen 3.213 N/A GLY 104.A N VAL 100.A O no hydrogen 2.900 N/A TYR 109.A OH PRO 34.A O no hydrogen 2.781 N/A ARG 111.A N PRO 108.A O no hydrogen 3.137 N/A ARG 111.A NE ASP 566.A OD2 no hydrogen 2.745 N/A ARG 112.A N TYR 109.A O no hydrogen 3.106 N/A ARG 112.A NH1 TYR 109.A O no hydrogen 2.871 N/A LEU 115.A N GLU 118.A OE2 no hydrogen 3.287 N/A LEU 116.A N GLU 333.A OE2 no hydrogen 2.557 N/A TYR 119.A N LEU 115.A O no hydrogen 2.897 N/A LEU 120.A N LEU 116.A O no hydrogen 2.836 N/A ASP 121.A N ARG 117.A O no hydrogen 2.943 N/A ILE 122.A N GLU 118.A O no hydrogen 2.871 N/A ASP 123.A N TYR 119.A O no hydrogen 2.930 N/A GLN 124.A N LEU 120.A O no hydrogen 2.968 N/A MET 125.A N ASP 121.A O no hydrogen 3.055 N/A ILE 126.A N ILE 122.A O no hydrogen 2.986 N/A PHE 127.A N ASP 123.A O no hydrogen 2.878 N/A ASN 128.A N GLN 124.A O no hydrogen 2.813 N/A ARG 129.A N MET 125.A O no hydrogen 2.886 N/A ARG 129.A NE GLU 130.A OE1 no hydrogen 3.202 N/A ARG 129.A NH1 GLU 130.A OE1 no hydrogen 3.254 N/A ARG 129.A NH1 TRP 202.A O no hydrogen 2.781 N/A GLU 130.A N MET 125.A O no hydrogen 3.066 N/A LEU 131.A N ILE 126.A O no hydrogen 2.904 N/A GLN 133.A N GLU 130.A O no hydrogen 2.901 N/A GLN 133.A NE2 ARG 129.A O no hydrogen 2.768 N/A ALA 134.A N LEU 131.A O no hydrogen 2.759 N/A ALA 135.A N PRO 132.A O no hydrogen 3.063 N/A VAL 137.A N GLU 221.A OE2 no hydrogen 2.997 N/A LEU 138.A N ALA 134.A O no hydrogen 2.992 N/A HIS 139.A N ALA 135.A O no hydrogen 2.722 N/A HIS 139.A ND1 TYR 144.A O no hydrogen 2.703 N/A HIS 140.A N GLY 136.A O no hydrogen 3.303 N/A CYS 141.A N VAL 137.A O no hydrogen 3.045 N/A CYS 141.A SG VAL 137.A O no hydrogen 3.941 N/A CYS 141.A SG LEU 138.A O no hydrogen 3.828 N/A CYS 142.A N LEU 138.A O no hydrogen 3.017 N/A SER 143.A N HIS 139.A O no hydrogen 2.683 N/A TYR 144.A N LEU 138.A O no hydrogen 3.167 N/A GLN 146.A N SER 143.A O no hydrogen 3.028 N/A GLY 148.A N SER 143.A O no hydrogen 3.120 N/A LEU 152.A N TYR 173.A O no hydrogen 2.846 N/A THR 153.A OG1 ASP 123.A OD1 no hydrogen 2.750 N/A THR 153.A OG1 ASP 123.A OD2 no hydrogen 3.483 N/A MET 154.A N GLY 171.A O no hydrogen 2.864 N/A SER 156.A OG TRP 169.A O no hydrogen 2.688 N/A ARG 159.A NE ASN 565.A OD1 no hydrogen 2.807 N/A ARG 159.A NH1 ASN 155.A OD1 no hydrogen 2.834 N/A ARG 159.A NH1 THR 168.A OG1 no hydrogen 2.775 N/A ARG 159.A NH2 ASN 155.A OD1 no hydrogen 3.123 N/A VAL 161.A N ASP 165.A OD2 no hydrogen 2.909 N/A SER 163.A OG ASP 566.A OD1 no hydrogen 2.819 N/A SER 163.A OG THR 569.A OG1 no hydrogen 2.675 N/A ASP 165.A N GLN 162.A O no hydrogen 3.151 N/A ARG 166.A NH1 GLU 118.A OE1 no hydrogen 3.233 N/A ARG 166.A NH2 TYR 110.A O no hydrogen 3.016 N/A ARG 166.A NH2 ARG 112.A O no hydrogen 2.577 N/A SER 167.A N ARG 159.A O no hydrogen 2.979 N/A THR 168.A N VAL 192.A O no hydrogen 2.951 N/A THR 168.A OG1 HIS 194.A NE2 no hydrogen 3.000 N/A PHE 170.A N LEU 190.A O no hydrogen 2.841 N/A GLY 171.A N MET 154.A O no hydrogen 3.015 N/A ILE 172.A N LEU 188.A O no hydrogen 2.918 N/A TYR 173.A N LEU 152.A O no hydrogen 2.927 N/A TYR 173.A OH SER 411.A O no hydrogen 2.989 N/A TYR 174.A N HIS 184.A O no hydrogen 3.103 N/A TYR 174.A OH ILE 234.A O no hydrogen 2.700 N/A ASN 175.A N LYS 150.A O no hydrogen 2.802 N/A GLY 180.A N LYS 178.A O no hydrogen 2.598 N/A LEU 183.A N GLY 180.A O no hydrogen 3.330 N/A HIS 184.A N PRO 181.A O no hydrogen 3.181 N/A VAL 186.A N ILE 172.A O no hydrogen 3.170 N/A GLU 189.A N PHE 208.A O no hydrogen 2.934 N/A LEU 190.A N PHE 170.A O no hydrogen 2.841 N/A LEU 191.A N LYS 206.A O no hydrogen 3.002 N/A VAL 192.A N THR 168.A O no hydrogen 3.051 N/A ASP 193.A N THR 203.A O no hydrogen 2.647 N/A HIS 194.A N ARG 166.A O no hydrogen 2.928 N/A HIS 194.A ND1 GLU 118.A OE1 no hydrogen 2.659 N/A HIS 194.A NE2 THR 168.A OG1 no hydrogen 3.000 N/A LYS 195.A N ASP 193.A OD1 no hydrogen 3.137 N/A LYS 195.A NZ GLY 164.A O no hydrogen 2.929 N/A ALA 200.A N ASP 198.A OD2 no hydrogen 2.776 N/A ASP 201.A N ASP 198.A O no hydrogen 2.751 N/A TRP 202.A N PRO 199.A O no hydrogen 2.929 N/A TRP 202.A NE1 ALA 196.A O no hydrogen 2.868 N/A THR 203.A N ASP 193.A O no hydrogen 3.355 N/A THR 203.A OG1 GLN 205.A OE1 no hydrogen 2.956 N/A GLN 205.A N LEU 191.A O no hydrogen 2.701 N/A GLN 205.A NE2 GLN 205.A O no hydrogen 3.678 N/A LYS 206.A NZ GLU 215.A OE2 no hydrogen 3.121 N/A VAL 207.A N TYR 214.A O no hydrogen 2.946 N/A PHE 208.A N GLU 189.A O no hydrogen 2.994 N/A PHE 209.A N ARG 212.A O no hydrogen 2.873 N/A GLN 210.A N GLY 187.A O no hydrogen 2.776 N/A GLN 210.A NE2 VAL 186.A O no hydrogen 3.129 N/A GLN 210.A NE2 VAL 232.A O no hydrogen 3.143 N/A ARG 212.A N PHE 209.A O no hydrogen 3.080 N/A TYR 214.A N VAL 207.A O no hydrogen 2.653 N/A GLU 215.A N GLN 219.A OE1 no hydrogen 2.650 N/A GLN 219.A N ASN 216.A OD1 no hydrogen 2.757 N/A LEU 220.A N ASN 216.A O no hydrogen 3.303 N/A GLU 221.A N LEU 217.A O no hydrogen 2.895 N/A GLU 222.A N ALA 218.A O no hydrogen 2.877 N/A GLN 223.A N GLN 219.A O no hydrogen 2.940 N/A PHE 224.A N LEU 220.A O no hydrogen 3.030 N/A GLU 225.A N GLU 221.A O no hydrogen 2.870 N/A ALA 226.A N GLU 222.A O no hydrogen 2.941 N/A GLY 227.A N PHE 224.A O no hydrogen 3.070 N/A GLN 228.A N GLN 223.A O no hydrogen 2.949 N/A VAL 232.A N GLN 210.A OE1 no hydrogen 2.727 N/A ILE 234.A N CYS 141.A O no hydrogen 2.939 N/A ARG 237.A NH1 THR 373.A OG1 no hydrogen 3.107 N/A ARG 237.A NH2 THR 373.A OG1 no hydrogen 3.300 N/A SER 239.A N ALA 246.A O no hydrogen 2.785 N/A GLN 241.A N ARG 244.A O no hydrogen 2.985 N/A ARG 244.A N GLN 241.A O no hydrogen 2.915 N/A VAL 245.A N PHE 252.A O no hydrogen 2.832 N/A ALA 246.A N SER 239.A O no hydrogen 2.868 N/A SER 247.A N TRP 250.A O no hydrogen 2.744 N/A LEU 249.A N SER 247.A OG no hydrogen 2.846 N/A TRP 250.A N SER 247.A OG no hydrogen 3.117 N/A TRP 250.A NE1 TYR 394.A O no hydrogen 2.812 N/A THR 251.A N ARG 268.A O no hydrogen 3.170 N/A THR 251.A OG1 TRP 250.A O no hydrogen 2.882 N/A PHE 252.A N VAL 245.A O no hydrogen 3.168 N/A SER 253.A N PHE 265.A O no hydrogen 2.923 N/A PHE 254.A N ASN 243.A O no hydrogen 2.856 N/A GLY 255.A N ARG 263.A O no hydrogen 3.043 N/A LEU 256.A N ASP 5.A OD1 no hydrogen 2.831 N/A GLY 257.A N GLY 261.A O no hydrogen 2.766 N/A ALA 258.A N GLU 43.A OE2 no hydrogen 2.804 N/A GLY 261.A N GLY 257.A O no hydrogen 2.916 N/A ARG 263.A N GLY 255.A O no hydrogen 3.023 N/A VAL 264.A N ILE 278.A O no hydrogen 2.927 N/A PHE 265.A N SER 253.A O no hydrogen 2.717 N/A ASP 266.A N TYR 276.A O no hydrogen 2.705 N/A VAL 267.A N ALA 275.A O no hydrogen 2.853 N/A ARG 268.A N THR 251.A O no hydrogen 2.702 N/A ARG 268.A NE ASP 266.A OD2 no hydrogen 2.774 N/A ARG 268.A NH2 ASP 266.A OD1 no hydrogen 2.580 N/A ARG 268.A NH2 ASP 266.A OD2 no hydrogen 3.296 N/A PHE 269.A N GLU 272.A O no hydrogen 2.682 N/A GLN 270.A N LEU 249.A O no hydrogen 3.085 N/A GLU 272.A N PHE 269.A O no hydrogen 2.906 N/A ARG 273.A NE ASP 266.A OD2 no hydrogen 2.797 N/A ARG 273.A NH1 ASP 57.A OD2 no hydrogen 3.016 N/A ARG 273.A NH2 ASP 57.A OD1 no hydrogen 2.919 N/A ARG 273.A NH2 ASP 266.A OD2 no hydrogen 3.293 N/A LEU 274.A N VAL 267.A O no hydrogen 2.847 N/A ALA 275.A N VAL 267.A O no hydrogen 3.525 N/A TYR 276.A N ASP 443.A O no hydrogen 2.853 N/A ILE 278.A N VAL 264.A O no hydrogen 2.917 N/A SER 279.A N LYS 441.A O no hydrogen 2.887 N/A SER 279.A OG GLU 277.A OE2 no hydrogen 3.002 N/A LEU 280.A N PRO 262.A O no hydrogen 2.985 N/A GLN 281.A N HIS 439.A O no hydrogen 2.886 N/A GLN 281.A NE2 SER 279.A OG no hydrogen 2.996 N/A GLU 282.A N HIS 439.A O no hydrogen 3.443 N/A ALA 283.A N GLU 282.A OE2 no hydrogen 3.157 N/A GLY 284.A N SER 437.A O no hydrogen 2.738 N/A VAL 286.A N THR 435.A O no hydrogen 3.365 N/A TYR 287.A N THR 297.A O no hydrogen 3.139 N/A GLY 288.A N VAL 433.A O no hydrogen 2.979 N/A ASN 290.A ND2 PHE 415.A O no hydrogen 3.013 N/A ALA 293.A N GLU 189.A OE2 no hydrogen 2.942 N/A MET 295.A N THR 291.A O no hydrogen 3.094 N/A LEU 296.A N PRO 292.A O no hydrogen 3.093 N/A THR 297.A N ALA 293.A O no hydrogen 3.057 N/A THR 297.A OG1 ALA 293.A O no hydrogen 2.636 N/A ARG 298.A N ALA 157.A O no hydrogen 2.954 N/A ARG 298.A NH1 TYR 287.A O no hydrogen 3.033 N/A ARG 298.A NH1 THR 297.A O no hydrogen 2.653 N/A TYR 299.A N ALA 285.A O no hydrogen 2.967 N/A MET 300.A N GLN 564.A OE1 no hydrogen 2.793 N/A ASP 301.A N ALA 283.A O no hydrogen 2.969 N/A SER 302.A N GLU 282.A OE2 no hydrogen 2.681 N/A SER 302.A OG GLU 282.A OE1 no hydrogen 2.560 N/A SER 302.A OG GLU 282.A OE2 no hydrogen 3.243 N/A SER 302.A OG SER 560.A O no hydrogen 3.416 N/A GLY 303.A N MET 300.A O no hydrogen 2.922 N/A PHE 304.A N ASP 301.A O no hydrogen 2.772 N/A GLY 305.A N ASP 301.A O no hydrogen 2.842 N/A MET 306.A N PHE 259.A O no hydrogen 3.344 N/A GLY 307.A N ALA 258.A O no hydrogen 3.108 N/A TYR 308.A N ALA 258.A O no hydrogen 2.826 N/A TYR 308.A OH GLU 333.A OE1 no hydrogen 2.456 N/A PHE 309.A N GLY 305.A O no hydrogen 2.664 N/A ALA 310.A N GLY 307.A O no hydrogen 2.772 N/A THR 311.A N VAL 380.A O no hydrogen 2.969 N/A THR 311.A OG1 VAL 380.A O no hydrogen 3.555 N/A THR 311.A OG1 THR 382.A OG1 no hydrogen 2.956 N/A LEU 313.A N ASP 342.A O no hydrogen 2.791 N/A ILE 314.A N ASP 318.A OD2 no hydrogen 2.679 N/A ARG 315.A NE ASP 342.A OD1 no hydrogen 2.869 N/A ARG 315.A NH2 ASP 342.A OD1 no hydrogen 3.232 N/A ARG 315.A NH2 ASP 342.A OD2 no hydrogen 2.905 N/A GLY 316.A N CYS 319.A O no hydrogen 2.808 N/A VAL 317.A N ILE 314.A O no hydrogen 2.928 N/A ASP 318.A N ILE 314.A O no hydrogen 2.860 N/A ALA 323.A N PRO 320.A O no hydrogen 3.157 N/A THR 324.A N VAL 346.A O no hydrogen 2.940 N/A TYR 325.A OH PRO 320.A O no hydrogen 2.748 N/A MET 326.A N PHE 344.A O no hydrogen 3.031 N/A TRP 328.A N LEU 340.A O no hydrogen 3.112 N/A PHE 330.A N LYS 338.A O no hydrogen 2.946 N/A GLU 333.A N PHE 40.A O no hydrogen 2.910 N/A SER 334.A OG THR 336.A O no hydrogen 2.614 N/A THR 336.A N SER 334.A OG no hydrogen 3.128 N/A LYS 338.A N PHE 330.A O no hydrogen 2.885 N/A LEU 340.A N TRP 328.A O no hydrogen 2.679 N/A ASP 342.A N ASP 327.A OD1 no hydrogen 2.878 N/A ALA 343.A N MET 326.A O no hydrogen 2.884 N/A PHE 344.A N MET 326.A O no hydrogen 3.086 N/A CYS 345.A N ARG 378.A O no hydrogen 3.030 N/A VAL 346.A N THR 324.A O no hydrogen 2.927 N/A PHE 347.A N VAL 376.A O no hydrogen 3.118 N/A GLN 349.A N VAL 374.A O no hydrogen 2.825 N/A GLN 349.A NE2 ASN 350.A O no hydrogen 2.963 N/A LYS 351.A N GLN 372.A O no hydrogen 3.014 N/A LYS 351.A NZ TYR 394.A OH no hydrogen 3.466 N/A GLY 352.A N ASN 350.A OD1 no hydrogen 2.896 N/A LEU 355.A N VAL 370.A O no hydrogen 3.111 N/A HIS 359.A ND1 SER 360.A O no hydrogen 2.732 N/A GLN 372.A NE2 LEU 353.A O no hydrogen 3.474 N/A VAL 374.A N GLN 349.A O no hydrogen 2.731 N/A LEU 375.A N PHE 393.A O no hydrogen 3.014 N/A VAL 376.A N PHE 347.A O no hydrogen 2.935 N/A PHE 377.A N MET 391.A O no hydrogen 2.895 N/A ARG 378.A N CYS 345.A O no hydrogen 2.857 N/A ARG 378.A NE ASP 318.A O no hydrogen 2.859 N/A ARG 378.A NH1 ASP 390.A OD1 no hydrogen 2.598 N/A ARG 378.A NH2 ASP 318.A O no hydrogen 3.379 N/A SER 379.A N TRP 389.A O no hydrogen 3.431 N/A SER 381.A N TYR 387.A O no hydrogen 2.820 N/A SER 381.A OG MET 306.A O no hydrogen 2.586 N/A THR 382.A N PHE 309.A O no hydrogen 2.926 N/A THR 382.A OG1 THR 311.A OG1 no hydrogen 2.956 N/A THR 382.A OG1 ASP 386.A OD1 no hydrogen 3.547 N/A ASN 385.A ND2 TYR 408.A O no hydrogen 2.700 N/A TYR 387.A N SER 381.A O no hydrogen 2.686 N/A TYR 387.A OH HIS 436.A ND1 no hydrogen 3.066 N/A VAL 388.A N HIS 404.A O no hydrogen 3.004 N/A TRP 389.A N SER 379.A O no hydrogen 2.842 N/A TRP 389.A NE1 SER 381.A OG no hydrogen 3.104 N/A ASP 390.A N LYS 402.A O no hydrogen 2.755 N/A MET 391.A N PHE 377.A O no hydrogen 3.194 N/A VAL 392.A N GLU 400.A O no hydrogen 2.733 N/A PHE 393.A N LEU 375.A O no hydrogen 2.725 N/A TYR 394.A N ALA 398.A O no hydrogen 2.794 N/A TYR 394.A OH GLU 400.A OE1 no hydrogen 2.668 N/A GLY 397.A N TYR 394.A O no hydrogen 3.385 N/A ALA 398.A N ASN 396.A OD1 no hydrogen 3.130 N/A ILE 399.A N LEU 619.A O no hydrogen 3.009 N/A GLU 400.A N VAL 392.A O no hydrogen 2.838 N/A VAL 401.A N PHE 617.A O no hydrogen 2.983 N/A LYS 402.A N ASP 390.A O no hydrogen 2.796 N/A LYS 402.A NZ GLU 400.A OE2 no hydrogen 2.613 N/A LYS 402.A NZ ASN 613.A O no hydrogen 3.062 N/A LEU 403.A N VAL 615.A O no hydrogen 2.814 N/A HIS 404.A N VAL 388.A O no hydrogen 3.192 N/A THR 406.A N ASP 386.A O no hydrogen 2.918 N/A THR 406.A OG1 THR 608.A O no hydrogen 2.996 N/A GLY 407.A N THR 406.A OG1 no hydrogen 2.837 N/A TYR 408.A N ASN 385.A O no hydrogen 3.100 N/A SER 411.A N TYR 182.A O no hydrogen 3.003 N/A ALA 412.A N LEU 430.A O no hydrogen 2.974 N/A LEU 414.A N HIS 428.A O no hydrogen 2.658 N/A ALA 418.A N PHE 415.A O no hydrogen 3.131 N/A ARG 419.A NH2 GLN 424.A OE1 no hydrogen 3.068 N/A ARG 420.A N ALA 417.A O no hydrogen 2.890 N/A TYR 421.A N ALA 418.A O no hydrogen 2.755 N/A ASN 423.A N GLY 431.A O no hydrogen 3.313 N/A ASN 423.A ND2 PRO 600.A O no hydrogen 2.758 N/A GLN 424.A NE2 GLY 426.A O no hydrogen 2.840 N/A VAL 425.A N THR 429.A O no hydrogen 3.044 N/A THR 429.A OG1 GLU 427.A O no hydrogen 2.948 N/A LEU 430.A N ALA 412.A O no hydrogen 2.733 N/A GLY 431.A N ASN 423.A O no hydrogen 2.773 N/A VAL 433.A N TYR 421.A O no hydrogen 2.936 N/A HIS 434.A N HIS 598.A O no hydrogen 3.145 N/A HIS 434.A ND1 PRO 432.A O no hydrogen 2.899 N/A THR 435.A N VAL 286.A O no hydrogen 3.046 N/A HIS 436.A N PHE 596.A O no hydrogen 2.895 N/A HIS 436.A ND1 TYR 387.A OH no hydrogen 3.066 N/A SER 437.A N GLY 284.A O no hydrogen 2.828 N/A ALA 438.A N ALA 594.A O no hydrogen 2.669 N/A HIS 439.A N GLU 282.A O no hydrogen 2.845 N/A HIS 439.A ND1 SER 558.A OG no hydrogen 2.758 N/A TYR 440.A N VAL 592.A O no hydrogen 2.643 N/A LYS 441.A N SER 279.A O no hydrogen 2.840 N/A LYS 441.A NZ GLU 277.A OE1 no hydrogen 3.274 N/A LYS 441.A NZ PRO 556.A O no hydrogen 2.872 N/A VAL 442.A N ALA 590.A O no hydrogen 2.599 N/A ASP 443.A N GLU 277.A O no hydrogen 2.657 N/A ASP 445.A N LEU 274.A O no hydrogen 2.828 N/A VAL 446.A N ASN 451.A OD1 no hydrogen 2.963 N/A GLY 448.A N ASP 445.A O no hydrogen 3.356 N/A ASN 451.A N LYS 586.A O no hydrogen 2.787 N/A ASN 451.A ND2 VAL 446.A O no hydrogen 2.920 N/A ASN 451.A ND2 GLY 448.A O no hydrogen 3.651 N/A ASN 451.A ND2 GLU 450.A O no hydrogen 2.668 N/A TRP 452.A N ALA 504.A O no hydrogen 2.808 N/A TRP 454.A N TYR 502.A O no hydrogen 2.881 N/A ALA 455.A N LYS 481.A O no hydrogen 2.953 N/A GLU 456.A N TYR 500.A O no hydrogen 2.754 N/A ASP 457.A N THR 479.A O no hydrogen 2.970 N/A MET 458.A N ASP 457.A OD1 no hydrogen 2.927 N/A ALA 459.A N GLN 477.A O no hydrogen 2.973 N/A VAL 461.A N ARG 475.A O no hydrogen 3.040 N/A THR 463.A N ILE 473.A O no hydrogen 3.061 N/A ILE 465.A N HIS 471.A O no hydrogen 2.721 N/A SER 468.A N ILE 465.A O no hydrogen 2.959 N/A SER 468.A OG GLU 470.A OE1 no hydrogen 3.260 N/A HIS 471.A N SER 468.A O no hydrogen 2.820 N/A ILE 473.A N THR 463.A O no hydrogen 3.095 N/A ARG 475.A N VAL 461.A O no hydrogen 2.937 N/A GLN 477.A N ALA 459.A O no hydrogen 2.859 N/A THR 479.A N ASP 457.A O no hydrogen 2.782 N/A LYS 481.A N ALA 455.A O no hydrogen 2.961 N/A GLN 482.A NE2 GLU 484.A OE2 no hydrogen 2.668 N/A LEU 483.A N VAL 453.A O no hydrogen 2.898 N/A GLU 484.A N GLN 488.A OE1 no hydrogen 2.688 N/A THR 485.A N GLN 488.A OE1 no hydrogen 3.055 N/A THR 485.A OG1 ASN 580.A OD1 no hydrogen 3.144 N/A GLU 486.A N GLU 581.A O no hydrogen 3.048 N/A GLN 488.A N THR 485.A O no hydrogen 2.878 N/A ALA 489.A N GLU 486.A O no hydrogen 2.997 N/A PHE 491.A N LEU 546.A O no hydrogen 2.944 N/A LEU 493.A N ARG 543.A O no hydrogen 2.832 N/A GLY 495.A N PRO 492.A O no hydrogen 2.875 N/A ARG 499.A N ASP 457.A OD2 no hydrogen 2.949 N/A ARG 499.A NH1 ASP 457.A OD1 no hydrogen 2.474 N/A TYR 500.A N GLU 456.A O no hydrogen 3.006 N/A TYR 502.A N TRP 454.A O no hydrogen 3.084 N/A TYR 502.A OH GLU 456.A OE2 no hydrogen 2.701 N/A LEU 503.A N TYR 517.A O no hydrogen 3.090 N/A ALA 504.A N TRP 452.A O no hydrogen 2.641 N/A SER 505.A N ARG 515.A O no hydrogen 3.233 N/A SER 505.A OG GLN 507.A O no hydrogen 3.093 N/A LYS 506.A NZ GLY 447.A O no hydrogen 3.198 N/A LYS 506.A NZ GLU 450.A O no hydrogen 2.972 N/A ASN 509.A N HIS 513.A O no hydrogen 2.851 N/A ASN 509.A ND2 PHE 625.A O no hydrogen 3.117 N/A LYS 510.A N ASP 626.A OD1 no hydrogen 2.695 N/A TRP 511.A N ASN 509.A OD1 no hydrogen 2.975 N/A TRP 511.A NE1 ASP 626.A O no hydrogen 3.263 N/A GLY 512.A N ASN 509.A O no hydrogen 3.225 N/A HIS 513.A N ASN 509.A OD1 no hydrogen 3.130 N/A ARG 515.A N GLN 507.A O no hydrogen 3.222 N/A ARG 515.A NE PHE 624.A O no hydrogen 2.606 N/A ARG 515.A NH1 GLU 272.A OE1 no hydrogen 3.142 N/A ARG 515.A NH1 GLN 507.A OE1 no hydrogen 3.108 N/A ARG 515.A NH2 GLU 272.A OE1 no hydrogen 3.537 N/A ARG 515.A NH2 GLU 272.A OE2 no hydrogen 3.311 N/A ARG 515.A NH2 PHE 624.A O no hydrogen 2.812 N/A TYR 517.A N LEU 503.A O no hydrogen 3.145 N/A TYR 517.A OH GLY 397.A O no hydrogen 2.619 N/A ARG 518.A N ARG 620.A O no hydrogen 2.687 N/A ILE 519.A N LEU 501.A O no hydrogen 3.060 N/A GLN 520.A N PHE 618.A O no hydrogen 2.772 N/A VAL 522.A N GLY 616.A O no hydrogen 2.958 N/A PHE 524.A N GLY 595.A O no hydrogen 2.917 N/A SER 533.A N PRO 530.A O no hydrogen 2.977 N/A MET 535.A N SER 533.A OG no hydrogen 3.133 N/A GLU 536.A N SER 533.A O no hydrogen 3.296 N/A ARG 537.A NH2 TRP 568.A O no hydrogen 3.233 N/A ALA 538.A N MET 535.A O no hydrogen 3.127 N/A PHE 539.A N GLU 536.A O no hydrogen 3.009 N/A SER 540.A N ARG 537.A O no hydrogen 3.238 N/A SER 540.A OG ARG 537.A O no hydrogen 3.460 N/A SER 540.A OG ASP 573.A OD1 no hydrogen 2.753 N/A SER 540.A OG SER 575.A OG no hydrogen 3.288 N/A GLY 542.A N PHE 539.A O no hydrogen 2.816 N/A ARG 543.A N SER 540.A O no hydrogen 3.099 N/A ARG 543.A NE GLU 536.A OE2 no hydrogen 2.980 N/A ARG 543.A NH2 GLU 536.A OE2 no hydrogen 2.840 N/A TYR 544.A N TRP 541.A O no hydrogen 3.126 N/A GLN 545.A N PHE 491.A O no hydrogen 2.778 N/A GLN 545.A NE2 SER 523.A OG no hydrogen 3.078 N/A GLN 545.A NE2 GLN 545.A O no hydrogen 3.619 N/A ALA 547.A N TRP 591.A O no hydrogen 3.081 N/A ILE 548.A N ALA 489.A O no hydrogen 3.279 N/A THR 549.A N VAL 589.A O no hydrogen 3.018 N/A GLN 550.A N GLU 486.A OE2 no hydrogen 2.887 N/A GLN 550.A NE2 THR 582.A O no hydrogen 2.757 N/A ARG 551.A N ASP 587.A O no hydrogen 2.842 N/A ARG 551.A NE ASP 443.A OD2 no hydrogen 3.325 N/A ARG 551.A NH1 GLU 553.A OE1 no hydrogen 3.474 N/A LYS 552.A NZ GLU 581.A OE1 no hydrogen 2.947 N/A LYS 552.A NZ GLU 581.A OE2 no hydrogen 2.786 N/A GLU 555.A N LYS 552.A O no hydrogen 2.911 N/A SER 558.A N GLN 281.A OE1 no hydrogen 3.112 N/A SER 558.A OG HIS 439.A ND1 no hydrogen 2.758 N/A SER 559.A OG GLU 282.A OE1 no hydrogen 2.437 N/A PHE 562.A N SER 560.A OG no hydrogen 3.022 N/A ASN 563.A N SER 560.A O no hydrogen 3.094 N/A ASN 563.A ND2 VAL 572.A O no hydrogen 3.124 N/A GLN 564.A NE2 ARG 298.A O no hydrogen 3.029 N/A GLN 564.A NE2 GLN 564.A O no hydrogen 3.019 N/A ASN 565.A ND2 ARG 112.A O no hydrogen 2.684 N/A ASP 566.A N ASN 563.A O no hydrogen 2.987 N/A THR 569.A OG1 SER 163.A OG no hydrogen 2.675 N/A THR 571.A N ASN 563.A OD1 no hydrogen 2.880 N/A VAL 572.A N ASN 563.A OD1 no hydrogen 3.247 N/A SER 575.A N SER 540.A OG no hydrogen 2.866 N/A SER 575.A N ASP 573.A OD1 no hydrogen 3.175 N/A SER 575.A OG SER 540.A OG no hydrogen 3.288 N/A SER 575.A OG ASP 573.A OD1 no hydrogen 2.598 N/A ASP 576.A N ASP 573.A O no hydrogen 2.771 N/A PHE 577.A N PHE 574.A O no hydrogen 2.763 N/A ILE 578.A N SER 575.A O no hydrogen 2.890 N/A ASN 579.A N GLU 486.A OE1 no hydrogen 3.092 N/A ASN 580.A N GLU 487.A OE2 no hydrogen 2.570 N/A GLU 581.A N GLU 486.A OE1 no hydrogen 3.472 N/A ILE 583.A N GLU 484.A O no hydrogen 2.886 N/A ALA 584.A N THR 582.A OG1 no hydrogen 3.057 N/A GLY 585.A N ASN 451.A O no hydrogen 2.912 N/A LYS 586.A N ASN 451.A O no hydrogen 3.202 N/A VAL 589.A N THR 549.A O no hydrogen 2.899 N/A ALA 590.A N VAL 442.A O no hydrogen 2.866 N/A TRP 591.A N ALA 547.A O no hydrogen 2.809 N/A TRP 591.A NE1 THR 549.A OG1 no hydrogen 3.070 N/A VAL 592.A N TYR 440.A O no hydrogen 2.953 N/A THR 593.A N GLN 545.A O no hydrogen 3.315 N/A THR 593.A OG1 TRP 541.A O no hydrogen 2.956 N/A THR 593.A OG1 TYR 544.A O no hydrogen 2.765 N/A ALA 594.A N ALA 438.A O no hydrogen 2.733 N/A PHE 596.A N HIS 436.A O no hydrogen 2.908 N/A HIS 598.A N HIS 434.A O no hydrogen 2.760 N/A HIS 598.A NE2 ASP 604.A OD2 no hydrogen 2.931 N/A HIS 601.A N ASP 604.A OD2 no hydrogen 2.950 N/A HIS 601.A ND1 GLU 603.A OE1 no hydrogen 2.784 N/A GLU 603.A N GLU 603.A OE1 no hydrogen 2.625 N/A ASP 604.A N HIS 601.A O no hydrogen 2.685 N/A ILE 605.A N ALA 602.A O no hydrogen 2.963 N/A THR 608.A N GLY 407.A O no hydrogen 3.056 N/A VAL 615.A N LEU 403.A O no hydrogen 2.920 N/A GLY 616.A N VAL 522.A O no hydrogen 2.842 N/A PHE 617.A N VAL 401.A O no hydrogen 2.945 N/A PHE 618.A N GLN 520.A O no hydrogen 2.746 N/A LEU 619.A N ILE 399.A O no hydrogen 2.835 N/A ARG 620.A N ARG 518.A O no hydrogen 2.749 N/A ARG 620.A NE GLN 520.A OE1 no hydrogen 2.837 N/A ARG 620.A NH1 GLN 520.A OE1 no hydrogen 2.824 N/A TYR 622.A N GLY 516.A O no hydrogen 2.589 N/A TYR 622.A OH GLU 456.A OE1 no hydrogen 2.560 N/A