Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4la1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 GLY 452.A O no hydrogen 2.844 N/A ARG 6.A N GLN 2.A O no hydrogen 3.233 N/A THR 7.A N TRP 3.A O no hydrogen 2.887 N/A THR 7.A OG1 TRP 3.A O no hydrogen 2.665 N/A ILE 8.A N LEU 4.A O no hydrogen 2.817 N/A GLU 9.A N GLN 5.A O no hydrogen 2.993 N/A SER 10.A N ARG 6.A O no hydrogen 3.020 N/A SER 10.A OG ARG 6.A O no hydrogen 3.512 N/A SER 10.A OG LEU 449.A O no hydrogen 2.345 N/A ALA 11.A N THR 7.A O no hydrogen 3.042 N/A ILE 14.A N PHE 69.A O no hydrogen 3.003 N/A VAL 15.A N ALA 39.A O no hydrogen 2.912 N/A PHE 16.A N GLN 67.A O no hydrogen 2.833 N/A SER 17.A N ILE 41.A O no hydrogen 2.831 N/A SER 17.A OG LYS 18.A O no hydrogen 3.376 N/A SER 17.A OG GLU 42.A OE1 no hydrogen 3.024 N/A LYS 18.A NZ GLN 53.A OE1 no hydrogen 2.551 N/A THR 19.A N ASP 44.A OD1 no hydrogen 3.418 N/A THR 19.A N ASP 44.A OD2 no hydrogen 3.284 N/A THR 19.A OG1 ASP 44.A OD2 no hydrogen 2.727 N/A THR 20.A OG1 THR 20.A O no hydrogen 2.470 N/A CYS 21.A SG VAL 65.A O no hydrogen 3.825 N/A CYS 24.A SG SER 17.A OG no hydrogen 3.301 N/A CYS 24.A SG LYS 18.A O no hydrogen 3.854 N/A LYS 25.A N CYS 21.A O no hydrogen 3.042 N/A LYS 25.A NZ ASP 29.A OD1 no hydrogen 2.725 N/A LYS 25.A NZ ASP 29.A OD2 no hydrogen 2.799 N/A LYS 26.A N PRO 22.A O no hydrogen 3.069 N/A LEU 27.A N PHE 23.A O no hydrogen 2.932 N/A LYS 28.A N CYS 24.A O no hydrogen 2.928 N/A LYS 28.A NZ GLU 42.A OE2 no hydrogen 2.831 N/A ASP 29.A N LYS 25.A O no hydrogen 2.747 N/A VAL 30.A N LYS 26.A O no hydrogen 2.971 N/A LEU 31.A N LEU 27.A O no hydrogen 3.098 N/A ALA 32.A N LYS 28.A O no hydrogen 2.900 N/A GLU 33.A N ASP 29.A O no hydrogen 2.823 N/A ALA 34.A N VAL 30.A O no hydrogen 2.787 N/A LYS 35.A N ALA 32.A O no hydrogen 2.795 N/A ILE 36.A N LEU 31.A O no hydrogen 2.737 N/A LYS 37.A NZ ALA 120.A O no hydrogen 3.071 N/A HIS 38.A ND1 ALA 39.A O no hydrogen 2.843 N/A ALA 39.A N VAL 13.A O no hydrogen 2.744 N/A ILE 41.A N VAL 15.A O no hydrogen 2.911 N/A LEU 43.A N SER 17.A O no hydrogen 2.762 N/A GLN 45.A N GLU 42.A O no hydrogen 2.919 N/A LEU 46.A N LEU 43.A O no hydrogen 2.915 N/A GLY 49.A N LEU 46.A O no hydrogen 3.269 N/A ILE 52.A N ASN 48.A O no hydrogen 3.055 N/A GLN 53.A N GLY 49.A O no hydrogen 2.597 N/A GLN 53.A NE2 GLU 63.A O no hydrogen 2.929 N/A LYS 54.A N SER 50.A O no hydrogen 3.059 N/A ALA 55.A N VAL 51.A O no hydrogen 2.937 N/A LEU 56.A N ILE 52.A O no hydrogen 2.992 N/A LEU 56.A N GLN 53.A O no hydrogen 3.204 N/A SER 57.A N LYS 54.A O no hydrogen 3.147 N/A SER 57.A OG LYS 54.A O no hydrogen 3.016 N/A ASN 58.A N ALA 55.A O no hydrogen 3.320 N/A ASN 58.A ND2 ALA 55.A O no hydrogen 3.060 N/A PHE 59.A N LEU 56.A O no hydrogen 2.909 N/A SER 60.A N LEU 56.A O no hydrogen 3.201 N/A SER 60.A N SER 57.A O no hydrogen 3.277 N/A SER 60.A OG LEU 56.A O no hydrogen 3.113 N/A SER 60.A OG GLN 67.A OE1 no hydrogen 2.570 N/A LYS 61.A N SER 57.A O no hydrogen 2.638 N/A ILE 62.A N SER 60.A OG no hydrogen 3.294 N/A GLN 67.A N PHE 16.A O no hydrogen 3.038 N/A GLN 67.A NE2 ILE 62.A O no hydrogen 2.994 N/A GLN 67.A NE2 THR 64.A O no hydrogen 2.737 N/A MET 68.A N GLY 76.A O no hydrogen 3.086 N/A PHE 69.A N ILE 14.A O no hydrogen 2.875 N/A VAL 70.A N LYS 73.A O no hydrogen 2.829 N/A ARG 71.A N ALA 12.A O no hydrogen 2.936 N/A ARG 71.A NE ASP 102.A OD1 no hydrogen 2.728 N/A ARG 71.A NH1 VAL 94.A O no hydrogen 2.790 N/A ARG 71.A NH1 GLU 96.A O no hydrogen 3.100 N/A ARG 71.A NH2 ASP 102.A OD1 no hydrogen 3.439 N/A ARG 71.A NH2 ASP 102.A OD2 no hydrogen 2.730 N/A LYS 73.A N VAL 70.A O no hydrogen 3.018 N/A ILE 75.A N MET 68.A O no hydrogen 2.831 N/A SER 78.A OG PHE 23.A O no hydrogen 3.090 N/A ALA 80.A N ASP 77.A OD1 no hydrogen 2.920 N/A VAL 81.A N ASP 77.A O no hydrogen 3.107 N/A LEU 82.A N SER 78.A O no hydrogen 2.983 N/A ASN 83.A N LYS 79.A O no hydrogen 2.948 N/A TYR 84.A N ALA 80.A O no hydrogen 3.245 N/A HIS 85.A N VAL 81.A O no hydrogen 2.965 N/A ASN 86.A N LEU 82.A O no hydrogen 2.773 N/A ASN 87.A N ASN 83.A O no hydrogen 2.882 N/A ASN 87.A N TYR 84.A O no hydrogen 3.225 N/A ASN 87.A ND2 GLN 89.A OE1 no hydrogen 2.917 N/A ASN 88.A N HIS 85.A O no hydrogen 3.022 N/A GLN 89.A N TYR 84.A O no hydrogen 2.862 N/A GLN 91.A NE2 ALA 34.A O no hydrogen 3.110 N/A ILE 93.A N GLN 89.A O no hydrogen 3.076 N/A VAL 94.A N LEU 90.A O no hydrogen 2.927 N/A ASN 95.A N GLN 91.A O no hydrogen 3.093 N/A ASN 95.A N ALA 92.A O no hydrogen 3.317 N/A ASN 95.A ND2 GLN 91.A O no hydrogen 2.826 N/A GLU 96.A N ILE 93.A O no hydrogen 3.382 N/A TYR 99.A N ASN 97.A OD1 no hydrogen 2.825 N/A ASP 100.A N THR 242.A OG1 no hydrogen 2.934 N/A TYR 101.A N THR 242.A O no hydrogen 2.872 N/A ASP 102.A N LYS 125.A O no hydrogen 2.835 N/A LEU 103.A N LYS 125.A O no hydrogen 3.135 N/A ILE 104.A N LYS 245.A O no hydrogen 2.932 N/A ILE 105.A N ALA 127.A O no hydrogen 2.800 N/A ILE 106.A N ILE 247.A O no hydrogen 2.919 N/A GLY 107.A N LEU 129.A O no hydrogen 2.625 N/A GLY 108.A N ASP 130.A OD1 no hydrogen 2.979 N/A SER 110.A OG THR 435.A OG1 no hydrogen 3.161 N/A ALA 115.A N GLY 111.A O no hydrogen 3.032 N/A GLY 116.A N GLY 112.A O no hydrogen 2.792 N/A LYS 117.A N LEU 113.A O no hydrogen 2.885 N/A LYS 117.A NZ SER 208.A OG no hydrogen 3.295 N/A GLU 118.A N ALA 114.A O no hydrogen 3.146 N/A ALA 119.A N ALA 115.A O no hydrogen 2.958 N/A ALA 120.A N GLY 116.A O no hydrogen 2.946 N/A LYS 121.A N LYS 117.A O no hydrogen 3.217 N/A TYR 122.A N ALA 119.A O no hydrogen 3.078 N/A TYR 122.A OH GLU 118.A OE2 no hydrogen 2.745 N/A GLY 123.A N ALA 120.A O no hydrogen 3.123 N/A ALA 124.A N ALA 119.A O no hydrogen 3.391 N/A LYS 125.A N ASP 102.A OD2 no hydrogen 2.683 N/A LYS 125.A NZ ASP 100.A O no hydrogen 3.127 N/A ALA 127.A N LEU 103.A O no hydrogen 3.068 N/A VAL 128.A N THR 215.A O no hydrogen 2.756 N/A LEU 129.A N ILE 105.A O no hydrogen 2.799 N/A ASP 130.A N LEU 217.A O no hydrogen 3.048 N/A THR 135.A N THR 139.A O no hydrogen 3.004 N/A THR 135.A OG1 ASP 271.A OD1 no hydrogen 2.649 N/A GLY 138.A N THR 135.A O no hydrogen 2.769 N/A THR 139.A N THR 135.A OG1 no hydrogen 2.907 N/A THR 139.A OG1 THR 135.A OG1 no hydrogen 3.401 N/A THR 139.A OG1 ASP 271.A OD1 no hydrogen 2.784 N/A THR 140.A OG1 VAL 132.A O no hydrogen 3.254 N/A GLY 144.A N GLY 108.A O no hydrogen 3.133 N/A ASN 149.A N GLY 145.A O no hydrogen 3.224 N/A ASN 149.A ND2 GLY 142.A O no hydrogen 3.086 N/A ASN 149.A ND2 LEU 143.A O no hydrogen 3.401 N/A ASN 149.A ND2 GLY 145.A O no hydrogen 2.816 N/A VAL 150.A N THR 146.A O no hydrogen 2.766 N/A CYS 152.A SG THR 435.A OG1 no hydrogen 3.613 N/A ILE 153.A N CYS 147.A O no hydrogen 3.159 N/A LYS 155.A N GLY 151.A O no hydrogen 2.977 N/A LYS 156.A N CYS 152.A O no hydrogen 2.878 N/A LEU 157.A N ILE 153.A O no hydrogen 3.070 N/A MET 158.A N PRO 154.A O no hydrogen 3.011 N/A HIS 159.A N LYS 155.A O no hydrogen 2.761 N/A HIS 159.A NE2 GLU 471.A OE2 no hydrogen 2.934 N/A GLN 160.A N LYS 156.A O no hydrogen 2.891 N/A ALA 161.A N LEU 157.A O no hydrogen 2.977 N/A GLY 162.A N MET 158.A O no hydrogen 2.910 N/A LEU 163.A N HIS 159.A O no hydrogen 2.754 N/A LEU 164.A N GLN 160.A O no hydrogen 2.766 N/A SER 165.A N ALA 161.A O no hydrogen 3.279 N/A SER 165.A N GLY 162.A O no hydrogen 3.073 N/A SER 165.A OG SER 300.A O no hydrogen 3.103 N/A HIS 166.A N LEU 163.A O no hydrogen 2.753 N/A SER 167.A N LEU 163.A O no hydrogen 3.146 N/A SER 167.A OG LEU 163.A O no hydrogen 3.345 N/A LEU 168.A N LEU 164.A O no hydrogen 2.972 N/A GLU 169.A N SER 165.A O no hydrogen 3.335 N/A ASP 170.A N HIS 166.A O no hydrogen 2.946 N/A ALA 171.A N SER 167.A O no hydrogen 2.940 N/A HIS 173.A N ASP 170.A O no hydrogen 2.941 N/A PHE 174.A N ALA 171.A O no hydrogen 3.019 N/A GLY 175.A N GLN 172.A O no hydrogen 3.213 N/A TRP 176.A N ALA 171.A O no hydrogen 2.994 N/A SER 177.A OG SER 177.A O no hydrogen 2.521 N/A LYS 180.A NZ GLU 169.A OE2 no hydrogen 2.651 N/A SER 181.A N ASP 179.A OD1 no hydrogen 3.027 N/A GLU 182.A N ASP 179.A O no hydrogen 3.262 N/A ILE 183.A N LYS 180.A O no hydrogen 3.196 N/A TRP 187.A NE1 LEU 275.A O no hydrogen 2.793 N/A THR 189.A N ASP 186.A OD2 no hydrogen 2.872 N/A THR 189.A OG1 ASP 186.A OD2 no hydrogen 2.437 N/A MET 190.A N ASP 186.A O no hydrogen 3.257 N/A VAL 191.A N TRP 187.A O no hydrogen 2.775 N/A GLU 192.A N SER 188.A O no hydrogen 2.837 N/A GLY 193.A N THR 189.A O no hydrogen 3.169 N/A VAL 194.A N MET 190.A O no hydrogen 2.983 N/A GLN 195.A N VAL 191.A O no hydrogen 2.815 N/A GLN 195.A NE2 PHE 273.A O no hydrogen 2.914 N/A SER 196.A N GLU 192.A O no hydrogen 2.878 N/A HIS 197.A N GLY 193.A O no hydrogen 3.261 N/A ILE 198.A N VAL 194.A O no hydrogen 3.001 N/A GLY 199.A N GLN 195.A O no hydrogen 3.014 N/A SER 200.A N SER 196.A O no hydrogen 3.137 N/A SER 200.A OG SER 196.A O no hydrogen 2.885 N/A LEU 201.A N HIS 197.A O no hydrogen 2.856 N/A ASN 202.A N ILE 198.A O no hydrogen 2.714 N/A ASN 202.A ND2 LEU 143.A O no hydrogen 2.636 N/A ASN 202.A ND2 ASN 149.A OD1 no hydrogen 2.888 N/A TRP 203.A N GLY 199.A O no hydrogen 3.139 N/A GLY 204.A N SER 200.A O no hydrogen 2.916 N/A TYR 205.A N LEU 201.A O no hydrogen 2.986 N/A LYS 206.A N ASN 202.A O no hydrogen 3.169 N/A VAL 207.A N TRP 203.A O no hydrogen 2.836 N/A SER 208.A N GLY 204.A O no hydrogen 2.843 N/A LEU 209.A N TYR 205.A O no hydrogen 3.053 N/A ARG 210.A N LYS 206.A O no hydrogen 3.013 N/A ASP 211.A N VAL 207.A O no hydrogen 2.744 N/A ASN 212.A N LEU 209.A O no hydrogen 3.031 N/A ASN 212.A ND2 SER 208.A O no hydrogen 2.765 N/A ALA 213.A N ARG 210.A O no hydrogen 2.976 N/A VAL 214.A N LEU 209.A O no hydrogen 2.951 N/A THR 215.A N ILE 126.A O no hydrogen 2.880 N/A LEU 217.A N VAL 128.A O no hydrogen 2.916 N/A ASN 218.A ND2 ASP 130.A O no hydrogen 2.681 N/A ARG 220.A N THR 232.A O no hydrogen 3.098 N/A MET 222.A N GLN 230.A O no hydrogen 2.702 N/A LEU 223.A N LEU 393.A O no hydrogen 2.993 N/A LEU 224.A N GLU 228.A O no hydrogen 2.745 N/A SER 225.A N GLU 228.A O no hydrogen 3.365 N/A SER 225.A OG GLU 228.A OE1 no hydrogen 2.802 N/A HIS 227.A N SER 225.A OG no hydrogen 3.346 N/A HIS 227.A ND1 GLY 243.A O no hydrogen 2.803 N/A GLU 228.A N SER 225.A O no hydrogen 3.288 N/A GLU 228.A N SER 225.A OG no hydrogen 3.047 N/A VAL 229.A N ILE 241.A O no hydrogen 2.994 N/A GLN 230.A N MET 222.A O no hydrogen 2.592 N/A ILE 231.A N SER 239.A O no hydrogen 2.830 N/A THR 232.A N ARG 220.A O no hydrogen 2.962 N/A GLU 233.A N LYS 237.A O no hydrogen 2.967 N/A LYS 236.A N GLU 233.A O no hydrogen 2.787 N/A LYS 237.A N ASN 235.A OD1 no hydrogen 3.352 N/A SER 239.A N ILE 231.A O no hydrogen 3.057 N/A ILE 241.A N VAL 229.A O no hydrogen 3.016 N/A THR 242.A N ASP 100.A OD2 no hydrogen 2.882 N/A GLY 243.A N HIS 227.A O no hydrogen 2.982 N/A ASN 244.A N TYR 101.A O no hydrogen 3.055 N/A LYS 245.A N ASP 102.A O no hydrogen 2.821 N/A ILE 246.A N ASN 420.A O no hydrogen 2.908 N/A ILE 247.A N ILE 104.A O no hydrogen 2.889 N/A LEU 248.A N TYR 422.A O no hydrogen 2.740 N/A ALA 249.A N ILE 106.A O no hydrogen 2.904 N/A ARG 253.A N GLU 387.A O no hydrogen 2.882 N/A ARG 253.A NE ASP 270.A OD2 no hydrogen 2.918 N/A ARG 253.A NH1 GLU 133.A O no hydrogen 2.711 N/A ARG 253.A NH2 GLU 133.A O no hydrogen 3.088 N/A ARG 253.A NH2 ASP 270.A OD2 no hydrogen 2.910 N/A LYS 255.A N GLY 385.A O no hydrogen 2.952 N/A ILE 259.A N PRO 257.A O no hydrogen 3.023 N/A ALA 262.A N ILE 259.A O no hydrogen 3.419 N/A GLU 264.A N GLU 264.A OE1 no hydrogen 2.521 N/A TYR 265.A N GLY 261.A O no hydrogen 2.753 N/A GLY 266.A N ALA 262.A O no hydrogen 2.900 N/A ILE 267.A N VAL 380.A O no hydrogen 2.872 N/A THR 268.A N ASP 271.A OD2 no hydrogen 3.307 N/A ASP 270.A N THR 268.A OG1 no hydrogen 3.086 N/A ASP 271.A N THR 268.A O no hydrogen 2.930 N/A LEU 272.A N THR 268.A O no hydrogen 3.156 N/A SER 274.A N ASP 271.A O no hydrogen 3.205 N/A SER 274.A OG ASP 271.A O no hydrogen 3.524 N/A LEU 275.A N LEU 272.A O no hydrogen 2.974 N/A LYS 281.A N GLU 378.A OE1 no hydrogen 2.643 N/A LYS 281.A NZ GLU 375.A OE2 no hydrogen 2.826 N/A LYS 281.A NZ GLU 376.A O no hydrogen 2.846 N/A THR 282.A N ASP 304.A O no hydrogen 2.790 N/A THR 282.A OG1 GLY 280.A O no hydrogen 2.977 N/A LEU 283.A N THR 379.A O no hydrogen 2.971 N/A VAL 284.A N THR 306.A O no hydrogen 2.773 N/A VAL 285.A N ILE 381.A O no hydrogen 2.692 N/A GLY 286.A N MET 308.A O no hydrogen 3.149 N/A SER 288.A OG ALA 383.A O no hydrogen 3.420 N/A LEU 292.A N SER 288.A O no hydrogen 3.179 N/A LYS 293.A N TYR 289.A O no hydrogen 2.862 N/A LYS 293.A NZ THR 465.A O no hydrogen 3.094 N/A CYS 294.A N VAL 290.A O no hydrogen 3.012 N/A CYS 294.A SG VAL 290.A O no hydrogen 3.482 N/A ALA 295.A N ALA 291.A O no hydrogen 2.955 N/A GLY 296.A N LEU 292.A O no hydrogen 2.981 N/A PHE 297.A N LYS 293.A O no hydrogen 3.219 N/A LEU 298.A N CYS 294.A O no hydrogen 3.177 N/A ALA 299.A N ALA 295.A O no hydrogen 3.016 N/A SER 300.A N GLY 296.A O no hydrogen 2.996 N/A SER 300.A OG GLY 296.A O no hydrogen 3.087 N/A LEU 301.A N PHE 297.A O no hydrogen 2.840 N/A GLY 302.A N ALA 299.A O no hydrogen 2.775 N/A GLY 303.A N LEU 298.A O no hydrogen 2.868 N/A THR 306.A N THR 282.A O no hydrogen 2.915 N/A VAL 307.A N LYS 335.A O no hydrogen 2.756 N/A MET 308.A N VAL 284.A O no hydrogen 2.784 N/A VAL 309.A N ALA 337.A O no hydrogen 2.861 N/A ILE 312.A N SER 311.A OG no hydrogen 2.679 N/A LEU 314.A N ALA 287.A O no hydrogen 2.935 N/A ARG 315.A NH2 SER 311.A OG no hydrogen 3.122 N/A PHE 317.A N LEU 314.A O no hydrogen 2.821 N/A GLN 319.A N GLU 480.A OE2 no hydrogen 2.782 N/A GLN 319.A NE2 LEU 313.A O no hydrogen 3.018 N/A GLN 319.A NE2 LEU 314.A O no hydrogen 3.149 N/A GLN 319.A NE2 PHE 317.A O no hydrogen 2.951 N/A GLN 320.A NE2 TYR 514.A OH no hydrogen 3.034 N/A MET 321.A N ASP 318.A OD1 no hydrogen 2.970 N/A ALA 322.A N ASP 318.A O no hydrogen 2.936 N/A GLU 323.A N GLN 319.A O no hydrogen 3.057 N/A LYS 324.A N GLN 320.A O no hydrogen 3.218 N/A VAL 325.A N MET 321.A O no hydrogen 2.970 N/A GLY 326.A N ALA 322.A O no hydrogen 2.963 N/A ASP 327.A N GLU 323.A O no hydrogen 2.707 N/A TYR 328.A N LYS 324.A O no hydrogen 2.888 N/A MET 329.A N VAL 325.A O no hydrogen 3.149 N/A GLU 330.A N GLY 326.A O no hydrogen 2.892 N/A ASN 331.A N ASP 327.A O no hydrogen 3.092 N/A HIS 332.A N MET 329.A O no hydrogen 3.094 N/A HIS 332.A NE2 GLU 509.A OE2 no hydrogen 2.667 N/A VAL 334.A N MET 329.A O no hydrogen 3.000 N/A LYS 335.A N VAL 305.A O no hydrogen 3.020 N/A LYS 335.A NZ ASP 304.A OD1 no hydrogen 2.450 N/A ALA 337.A N VAL 307.A O no hydrogen 2.979 N/A CYS 340.A N VAL 309.A O no hydrogen 2.891 N/A CYS 340.A SG HIS 366.A O no hydrogen 3.681 N/A VAL 341.A N HIS 366.A O no hydrogen 2.970 N/A ASP 343.A N LYS 364.A O no hydrogen 2.696 N/A GLU 344.A N LYS 364.A O no hydrogen 3.088 N/A ILE 345.A N PRO 260.A O no hydrogen 2.920 N/A THR 346.A N LEU 362.A O no hydrogen 2.931 N/A LEU 348.A N LEU 360.A O no hydrogen 2.736 N/A LYS 349.A N LEU 360.A O no hydrogen 3.031 N/A ASP 352.A N LYS 357.A O no hydrogen 2.720 N/A ASN 355.A N ASP 352.A O no hydrogen 3.310 N/A ASN 356.A ND2 PRO 276.A O no hydrogen 2.775 N/A LYS 357.A N ASP 352.A O no hydrogen 3.192 N/A LEU 360.A N LYS 349.A O no hydrogen 2.834 N/A LEU 361.A N PHE 377.A O no hydrogen 2.681 N/A LEU 362.A N THR 346.A O no hydrogen 2.711 N/A VAL 363.A N GLU 375.A O no hydrogen 2.896 N/A LYS 364.A N GLU 344.A O no hydrogen 2.930 N/A GLY 365.A N PHE 373.A O no hydrogen 2.681 N/A HIS 366.A N VAL 341.A O no hydrogen 2.941 N/A HIS 366.A ND1 ASP 343.A OD2 no hydrogen 2.804 N/A TYR 367.A N LYS 371.A O no hydrogen 2.921 N/A THR 368.A N LEU 339.A O no hydrogen 3.040 N/A GLY 370.A N TYR 367.A O no hydrogen 2.927 N/A LYS 371.A N ASP 369.A OD1 no hydrogen 3.280 N/A LYS 372.A NZ GLU 374.A OE1 no hydrogen 3.142 N/A PHE 373.A N GLY 365.A O no hydrogen 2.503 N/A GLU 375.A N VAL 363.A O no hydrogen 3.144 N/A PHE 377.A N LEU 361.A O no hydrogen 2.901 N/A GLU 378.A N LYS 281.A O no hydrogen 2.637 N/A THR 379.A N LYS 281.A O no hydrogen 3.250 N/A THR 379.A OG1 PRO 279.A O no hydrogen 2.667 N/A ILE 381.A N LEU 283.A O no hydrogen 2.740 N/A PHE 382.A N ILE 267.A O no hydrogen 2.839 N/A ALA 383.A N VAL 285.A O no hydrogen 2.631 N/A GLU 387.A N ARG 253.A O no hydrogen 2.877 N/A LYS 392.A N GLN 389.A O no hydrogen 3.386 N/A LYS 392.A NZ GLU 133.A OE1 no hydrogen 2.541 N/A LEU 393.A N LEU 390.A O no hydrogen 3.023 N/A ASN 394.A N SER 391.A O no hydrogen 3.173 N/A ASN 394.A ND2 LEU 223.A O no hydrogen 3.011 N/A CYS 395.A SG LEU 390.A O no hydrogen 3.910 N/A VAL 398.A N CYS 395.A O no hydrogen 3.076 N/A GLY 399.A N CYS 395.A O no hydrogen 3.017 N/A GLY 399.A N GLU 396.A O no hydrogen 2.868 N/A VAL 400.A N CYS 395.A O no hydrogen 2.984 N/A LYS 401.A N THR 417.A OG1 no hydrogen 2.831 N/A ASP 403.A N ARG 407.A O no hydrogen 2.596 N/A ASN 405.A N ASP 403.A OD1 no hydrogen 2.864 N/A GLY 406.A N ASP 403.A O no hydrogen 2.913 N/A ARG 407.A N ASP 403.A OD1 no hydrogen 2.919 N/A ARG 407.A NE GLU 252.A OE2 no hydrogen 2.581 N/A ARG 407.A NH2 GLU 252.A OE2 no hydrogen 2.790 N/A VAL 408.A N ILE 427.A O no hydrogen 2.889 N/A VAL 409.A N LYS 401.A O no hydrogen 2.948 N/A CYS 410.A SG VAL 408.A O no hydrogen 3.785 N/A CYS 410.A SG GLU 414.A O no hydrogen 3.726 N/A SER 411.A N GLN 415.A O no hydrogen 2.960 N/A SER 411.A OG GLN 415.A O no hydrogen 3.518 N/A GLU 414.A N SER 411.A O no hydrogen 3.065 N/A GLN 415.A N ASP 413.A OD1 no hydrogen 3.337 N/A GLN 415.A NE2 SER 419.A O no hydrogen 2.990 N/A THR 416.A N ILE 421.A O no hydrogen 2.914 N/A THR 416.A OG1 VAL 418.A O no hydrogen 2.950 N/A THR 416.A OG1 ILE 421.A O no hydrogen 2.958 N/A THR 417.A OG1 GLY 399.A O no hydrogen 2.604 N/A VAL 418.A N THR 416.A OG1 no hydrogen 3.005 N/A ASN 420.A ND2 PRO 226.A O no hydrogen 2.831 N/A ASN 420.A ND2 ASN 244.A O no hydrogen 2.745 N/A ILE 421.A N VAL 418.A O no hydrogen 3.012 N/A TYR 422.A N ILE 246.A O no hydrogen 2.839 N/A ALA 423.A N GLU 414.A O no hydrogen 2.927 N/A ILE 424.A N LEU 248.A O no hydrogen 2.987 N/A ASN 428.A N GLY 425.A O no hydrogen 2.983 N/A ASN 428.A ND2 ALA 423.A O no hydrogen 3.133 N/A ALA 429.A N VAL 408.A O no hydrogen 3.098 N/A LYS 431.A N ASN 428.A O no hydrogen 3.221 N/A LYS 431.A NZ ASN 428.A OD1 no hydrogen 3.191 N/A LYS 431.A NZ ALA 429.A O no hydrogen 3.493 N/A GLN 433.A NE2 ASP 426.A O no hydrogen 3.105 N/A LEU 434.A N PRO 432.A O no hydrogen 3.019 N/A THR 435.A OG1 SER 110.A OG no hydrogen 3.161 N/A ALA 438.A N LEU 434.A O no hydrogen 3.138 N/A ILE 439.A N THR 435.A O no hydrogen 3.017 N/A HIS 440.A N PRO 436.A O no hydrogen 2.924 N/A ALA 441.A N VAL 437.A O no hydrogen 2.907 N/A GLY 442.A N ALA 438.A O no hydrogen 2.828 N/A ARG 443.A N ILE 439.A O no hydrogen 2.969 N/A TYR 444.A N HIS 440.A O no hydrogen 3.001 N/A TYR 444.A OH GLU 455.A OE2 no hydrogen 3.347 N/A LEU 445.A N ALA 441.A O no hydrogen 2.912 N/A ALA 446.A N GLY 442.A O no hydrogen 3.204 N/A ARG 447.A N ARG 443.A O no hydrogen 3.216 N/A ARG 447.A NE GLU 118.A OE2 no hydrogen 2.939 N/A ARG 448.A N TYR 444.A O no hydrogen 3.026 N/A ARG 448.A NH1 GLU 455.A O no hydrogen 2.836 N/A ARG 448.A NH2 ASP 413.A O no hydrogen 3.000 N/A ARG 448.A NH2 GLU 414.A OE2 no hydrogen 2.709 N/A LEU 449.A N LEU 445.A O no hydrogen 2.829 N/A PHE 450.A N ALA 446.A O no hydrogen 2.919 N/A ALA 451.A N ARG 447.A O no hydrogen 2.955 N/A ALA 453.A N ARG 447.A O no hydrogen 2.996 N/A TYR 459.A OH GLU 414.A OE1 no hydrogen 2.884 N/A SER 460.A N ASP 458.A OD1 no hydrogen 2.962 N/A SER 460.A OG ASP 458.A OD1 no hydrogen 2.413 N/A SER 460.A OG ASP 458.A OD2 no hydrogen 3.271 N/A THR 464.A N ALA 474.A O no hydrogen 2.820 N/A THR 464.A OG1 ALA 474.A O no hydrogen 3.507 N/A THR 465.A OG1 THR 464.A O no hydrogen 2.853 N/A VAL 466.A N TYR 472.A O no hydrogen 2.791 N/A THR 468.A OG1 VAL 466.A O no hydrogen 3.372 N/A THR 468.A OG1 LEU 470.A O no hydrogen 2.872 N/A TYR 472.A N VAL 466.A O no hydrogen 2.969 N/A TYR 472.A OH HIS 531.A ND1 no hydrogen 2.803 N/A GLY 473.A N VAL 532.A O no hydrogen 2.897 N/A ALA 474.A N THR 464.A O no hydrogen 2.976 N/A CYS 475.A N LEU 530.A O no hydrogen 2.943 N/A CYS 475.A SG ASN 461.A O no hydrogen 3.432 N/A LEU 477.A N LEU 528.A O no hydrogen 2.925 N/A SER 478.A OG GLU 480.A OE1 no hydrogen 3.267 N/A GLU 479.A N ASP 318.A OD2 no hydrogen 2.867 N/A GLU 480.A N GLU 480.A OE1 no hydrogen 2.526 N/A ASP 481.A N SER 478.A OG no hydrogen 3.100 N/A ALA 482.A N SER 478.A O no hydrogen 3.018 N/A ILE 483.A N GLU 479.A O no hydrogen 2.971 N/A GLU 484.A N GLU 480.A O no hydrogen 2.939 N/A LYS 485.A N ASP 481.A O no hydrogen 2.790 N/A TYR 486.A N ALA 482.A O no hydrogen 2.850 N/A GLY 487.A N ILE 483.A O no hydrogen 2.730 N/A ASP 490.A N GLY 487.A O no hydrogen 3.090 N/A ILE 491.A N ASP 488.A O no hydrogen 2.875 N/A GLU 492.A N CYS 519.A O no hydrogen 2.905 N/A TYR 494.A N LEU 517.A O no hydrogen 2.954 N/A HIS 495.A N VAL 576.A O no hydrogen 2.998 N/A HIS 495.A ND1 TYR 514.A OH no hydrogen 2.749 N/A SER 496.A N MET 515.A O no hydrogen 3.141 N/A SER 496.A OG HIS 497.A O no hydrogen 2.653 N/A HIS 497.A N ALA 584.A O no hydrogen 2.624 N/A HIS 497.A ND1 CYS 513.A O no hydrogen 3.035 N/A PHE 498.A N CYS 513.A O no hydrogen 3.023 N/A LYS 499.A NZ ARG 508.A O no hydrogen 3.201 N/A LYS 499.A NZ ASP 510.A OD1 no hydrogen 2.468 N/A TRP 503.A N PRO 500.A O no hydrogen 2.922 N/A THR 504.A N LEU 501.A O no hydrogen 3.157 N/A THR 504.A OG1 LEU 501.A O no hydrogen 2.659 N/A HIS 507.A N THR 504.A O no hydrogen 3.129 N/A ARG 508.A N TRP 503.A O no hydrogen 2.887 N/A ARG 508.A NE ASP 170.A OD1 no hydrogen 2.987 N/A ARG 508.A NE ASP 170.A OD2 no hydrogen 3.232 N/A ARG 508.A NH2 HIS 166.A O no hydrogen 3.486 N/A ARG 508.A NH2 GLU 169.A OE1 no hydrogen 3.396 N/A ARG 508.A NH2 ASP 170.A OD1 no hydrogen 2.805 N/A GLU 509.A N GLU 509.A OE1 no hydrogen 2.737 N/A TYR 514.A N LEU 533.A O no hydrogen 3.046 N/A TYR 514.A OH HIS 495.A ND1 no hydrogen 2.749 N/A MET 515.A N SER 496.A O no hydrogen 3.099 N/A LYS 516.A N HIS 531.A O no hydrogen 2.827 N/A LYS 516.A NZ ASP 318.A OD1 no hydrogen 2.989 N/A LYS 516.A NZ ASP 318.A OD2 no hydrogen 2.750 N/A LYS 516.A NZ GLN 320.A OE1 no hydrogen 2.823 N/A LYS 516.A NZ GLU 479.A OE1 no hydrogen 2.716 N/A LEU 517.A N TYR 494.A O no hydrogen 2.731 N/A VAL 518.A N GLY 529.A O no hydrogen 2.833 N/A CYS 519.A N GLU 492.A O no hydrogen 2.814 N/A CYS 519.A SG LEU 517.A O no hydrogen 3.956 N/A CYS 519.A SG MET 525.A O no hydrogen 3.888 N/A ARG 520.A N ARG 526.A O no hydrogen 2.848 N/A ARG 520.A NE ASP 490.A OD2 no hydrogen 3.018 N/A ILE 521.A N ASP 490.A O no hydrogen 2.765 N/A SER 522.A N ASP 490.A OD1 no hydrogen 2.936 N/A SER 522.A OG ASP 490.A OD1 no hydrogen 2.349 N/A SER 522.A OG ASP 490.A OD2 no hydrogen 2.938 N/A ASP 523.A N ARG 520.A O no hydrogen 3.201 N/A ARG 526.A N ARG 520.A O no hydrogen 3.101 N/A ARG 526.A NE ASP 523.A OD2 no hydrogen 2.843 N/A ARG 526.A NH1 GLY 551.A O no hydrogen 2.661 N/A ARG 526.A NH2 ASP 523.A OD1 no hydrogen 2.967 N/A VAL 527.A N ALA 552.A O no hydrogen 2.844 N/A LEU 528.A N VAL 518.A O no hydrogen 2.737 N/A GLY 529.A N VAL 518.A O no hydrogen 3.234 N/A LEU 530.A N CYS 475.A O no hydrogen 2.792 N/A HIS 531.A N LYS 516.A O no hydrogen 3.060 N/A HIS 531.A ND1 TYR 472.A OH no hydrogen 2.803 N/A HIS 531.A NE2 LEU 477.A O no hydrogen 2.874 N/A VAL 532.A N GLY 473.A O no hydrogen 2.936 N/A LEU 533.A N TYR 514.A O no hydrogen 2.695 N/A GLY 534.A N GLU 471.A O no hydrogen 2.986 N/A ILE 540.A N ASN 536.A O no hydrogen 2.976 N/A THR 541.A N ALA 537.A O no hydrogen 2.865 N/A THR 541.A OG1 ALA 537.A O no hydrogen 2.715 N/A GLN 542.A N GLY 538.A O no hydrogen 3.164 N/A GLN 542.A NE2 GLN 542.A O no hydrogen 3.119 N/A TYR 544.A OH SER 568.A O no hydrogen 2.994 N/A TYR 544.A OH SER 568.A OG no hydrogen 2.867 N/A ALA 545.A N THR 541.A O no hydrogen 3.284 N/A ALA 545.A N GLN 542.A O no hydrogen 2.954 N/A VAL 546.A N GLY 543.A O no hydrogen 3.190 N/A ILE 548.A N TYR 544.A O no hydrogen 2.867 N/A LYS 549.A N ALA 545.A O no hydrogen 2.871 N/A LYS 549.A NZ ASP 458.A OD2 no hydrogen 2.754 N/A MET 550.A N VAL 546.A O no hydrogen 3.041 N/A GLY 551.A N ILE 548.A O no hydrogen 2.833 N/A ALA 552.A N ALA 547.A O no hydrogen 2.959 N/A THR 553.A N ASP 556.A OD2 no hydrogen 2.905 N/A THR 553.A OG1 ASP 556.A OD2 no hydrogen 3.117 N/A LYS 554.A N MET 525.A O no hydrogen 3.020 N/A LYS 554.A NZ ASP 558.A OD1 no hydrogen 2.808 N/A LYS 554.A NZ ASP 558.A OD2 no hydrogen 3.364 N/A LYS 554.A NZ LEU 574.A O no hydrogen 2.686 N/A ASP 556.A N THR 553.A OG1 no hydrogen 3.280 N/A PHE 557.A N THR 553.A O no hydrogen 3.329 N/A ASP 558.A N LYS 554.A O no hydrogen 2.938 N/A ARG 559.A N GLU 555.A O no hydrogen 2.848 N/A ARG 559.A NE ASP 556.A OD1 no hydrogen 2.975 N/A ARG 559.A NH2 ASP 556.A OD1 no hydrogen 3.229 N/A THR 560.A N PHE 557.A O no hydrogen 3.211 N/A THR 560.A OG1 ASP 556.A O no hydrogen 2.812 N/A HIS 564.A ND1 GLU 569.A OE2 no hydrogen 2.664 N/A THR 566.A N GLU 569.A OE2 no hydrogen 3.240 N/A THR 566.A OG1 ILE 563.A O no hydrogen 2.676 N/A SER 568.A OG TYR 544.A OH no hydrogen 2.867 N/A GLU 569.A N THR 566.A OG1 no hydrogen 3.140 N/A THR 570.A N CYS 567.A O no hydrogen 3.206 N/A THR 570.A OG1 CYS 567.A O no hydrogen 3.174 N/A PHE 571.A N SER 568.A O no hydrogen 3.063 N/A THR 572.A N GLU 569.A O no hydrogen 2.873 N/A THR 572.A OG1 GLU 569.A O no hydrogen 2.675 N/A THR 573.A N THR 570.A O no hydrogen 3.318 N/A LYS 578.A N VAL 493.A O no hydrogen 2.984 N/A LYS 578.A NZ GLN 320.A OE1 no hydrogen 2.836 N/A LYS 578.A NZ GLU 479.A OE1 no hydrogen 2.824 N/A ARG 579.A NH1 ILE 491.A O no hydrogen 3.090 N/A ARG 579.A NH2 ASP 488.A O no hydrogen 3.005 N/A ARG 579.A NH2 ILE 491.A O no hydrogen 2.944 N/A SER 580.A N THR 577.A OG1 no hydrogen 2.956 N/A SER 580.A OG THR 577.A O no hydrogen 2.746 N/A GLY 581.A N LYS 578.A O no hydrogen 2.723 N/A GLY 582.A N SER 580.A OG no hydrogen 2.940 N/A VAL 586.A N ASN 511.A OD1 no hydrogen 3.046 N/A