Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wda_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N LEU 21.A O no hydrogen 2.979 N/A ILE 4.A N GLN 23.A O no hydrogen 3.077 N/A VAL 6.A N ASP 25.A O no hydrogen 3.246 N/A THR 12.A N LEU 88.A O no hydrogen 3.190 N/A THR 12.A OG1 LEU 88.A O no hydrogen 3.457 N/A ALA 14.A N TYR 90.A O no hydrogen 3.096 N/A CYS 16.A N THR 92.A O no hydrogen 2.866 N/A CYS 16.A SG THR 22.A OG1 no hydrogen 3.656 N/A LEU 18.A N VAL 94.A O no hydrogen 2.841 N/A THR 20.A N VAL 17.A O no hydrogen 3.291 N/A THR 20.A OG1 VAL 17.A O no hydrogen 3.095 N/A GLN 23.A N THR 2.A O no hydrogen 2.922 N/A LEU 24.A N VAL 57.A O no hydrogen 2.851 N/A ASP 25.A N ILE 4.A O no hydrogen 2.898 N/A SER 28.A N ASP 25.A OD1 no hydrogen 3.367 N/A SER 28.A OG ASP 25.A OD1 no hydrogen 3.295 N/A SER 28.A OG ASP 25.A OD2 no hydrogen 2.411 N/A ALA 30.A N CYS 27.A O no hydrogen 3.042 N/A THR 33.A OG1 TYR 78.A O no hydrogen 3.546 N/A SER 34.A N TYR 78.A O no hydrogen 3.156 N/A PHE 35.A N TRP 49.A O no hydrogen 2.904 N/A SER 36.A N SER 76.A O no hydrogen 2.817 N/A ASN 38.A N GLN 74.A O no hydrogen 2.982 N/A SER 40.A N LYS 72.A O no hydrogen 2.979 N/A SER 40.A OG LYS 72.A O no hydrogen 3.476 N/A VAL 43.A N SER 40.A O no hydrogen 3.189 N/A VAL 44.A N THR 60.A O no hydrogen 2.837 N/A ASP 46.A N THR 58.A O no hydrogen 3.202 N/A THR 48.A N TYR 78.A OH no hydrogen 2.502 N/A TRP 49.A N PHE 35.A O no hydrogen 3.233 N/A LEU 51.A N THR 33.A O no hydrogen 3.258 N/A GLY 54.A N ASP 52.A OD1 no hydrogen 3.463 N/A VAL 55.A N ASP 52.A O no hydrogen 3.382 N/A THR 58.A N ASP 46.A O no hydrogen 3.157 N/A THR 58.A OG1 THR 22.A O no hydrogen 3.391 N/A LEU 59.A N THR 22.A O no hydrogen 2.932 N/A THR 60.A N VAL 44.A O no hydrogen 3.119 N/A LYS 62.A N GLY 42.A O no hydrogen 3.331 N/A SER 65.A N ALA 93.A O no hydrogen 2.843 N/A SER 65.A OG ASP 70.A OD2 no hydrogen 2.496 N/A GLY 66.A N ASP 70.A OD1 no hydrogen 3.051 N/A SER 67.A N ASP 70.A OD1 no hydrogen 3.506 N/A GLY 69.A N THR 92.A OG1 no hydrogen 2.758 N/A ASP 70.A N SER 67.A O no hydrogen 3.252 N/A GLN 71.A N LEU 91.A O no hydrogen 3.407 N/A GLN 71.A NE2 SER 40.A OG no hydrogen 2.407 N/A LYS 72.A N SER 40.A OG no hydrogen 2.887 N/A VAL 73.A N LEU 89.A O no hydrogen 2.862 N/A GLN 74.A N ASN 38.A O no hydrogen 2.808 N/A ILE 75.A N ALA 87.A O no hydrogen 3.035 N/A SER 76.A N SER 36.A O no hydrogen 2.829 N/A TYR 77.A N VAL 85.A O no hydrogen 2.954 N/A TYR 77.A OH ILE 26.A O no hydrogen 3.129 N/A TYR 78.A N SER 34.A O no hydrogen 3.069 N/A VAL 85.A N TYR 77.A O no hydrogen 3.185 N/A ALA 87.A N ILE 75.A O no hydrogen 2.891 N/A LEU 89.A N VAL 73.A O no hydrogen 2.920 N/A TYR 90.A N THR 12.A O no hydrogen 3.051 N/A LEU 91.A N GLN 71.A O no hydrogen 2.999 N/A THR 92.A N ALA 14.A O no hydrogen 3.083 N/A ALA 93.A N SER 65.A OG no hydrogen 2.947 N/A VAL 94.A N CYS 16.A O no hydrogen 2.946 N/A GLU 95.A N LYS 160.A O no hydrogen 2.963 N/A SER 97.A N SER 158.A O no hydrogen 3.033 N/A SER 97.A OG SER 158.A O no hydrogen 3.479 N/A CYS 99.A N THR 156.A O no hydrogen 2.777 N/A CYS 99.A SG SER 97.A O no hydrogen 3.789 N/A ARG 104.A N ASP 101.A O no hydrogen 3.235 N/A ARG 104.A NE GLY 119.A O no hydrogen 2.990 N/A ARG 104.A NH1 GLY 114.A O no hydrogen 3.262 N/A ARG 104.A NH2 THR 112.A O no hydrogen 2.929 N/A ARG 104.A NH2 GLY 119.A O no hydrogen 3.550 N/A THR 105.A N ASP 101.A OD2 no hydrogen 3.068 N/A GLY 106.A N ASP 101.A OD1 no hydrogen 2.961 N/A LYS 107.A N THR 105.A OG1 no hydrogen 3.150 N/A LYS 107.A NZ LEU 154.A O no hydrogen 3.442 N/A TRP 111.A NE1 ALA 120.A O no hydrogen 3.006 N/A THR 112.A N GLN 118.A O no hydrogen 3.037 N/A GLY 114.A N TRP 624.A O no hydrogen 2.967 N/A GLY 117.A N GLY 114.A O no hydrogen 2.978 N/A GLN 118.A N THR 112.A OG1 no hydrogen 2.941 N/A GLY 119.A N ILE 102.A O no hydrogen 2.907 N/A LEU 122.A N ARG 257.A O no hydrogen 2.941 N/A ASN 125.A N ALA 218.A O no hydrogen 3.069 N/A ASN 125.A ND2 ASP 148.A OD1 no hydrogen 3.006 N/A ASN 125.A ND2 ASP 148.A OD2 no hydrogen 3.538 N/A ASN 125.A ND2 GLU 217.A OE1 no hydrogen 2.607 N/A CYS 126.A N VAL 124.A O no hydrogen 2.838 N/A CYS 126.A SG VAL 124.A O no hydrogen 3.425 N/A ARG 128.A N GLY 351.A O no hydrogen 3.169 N/A ARG 128.A NH1 ILE 346.A O no hydrogen 3.440 N/A ASP 129.A N ASP 137.A OD2 no hydrogen 3.163 N/A ASN 130.A N ASP 137.A OD1 no hydrogen 3.452 N/A ASN 130.A ND2 ASP 145.A OD1 no hydrogen 3.543 N/A SER 133.A OG ASN 130.A OD1 no hydrogen 3.237 N/A MET 136.A N GLU 139.A OE1 no hydrogen 3.224 N/A ASP 137.A N ASP 127.A O no hydrogen 2.915 N/A CYS 138.A N ASN 125.A O no hydrogen 3.341 N/A CYS 138.A SG ASN 125.A O no hydrogen 3.330 N/A GLU 139.A N MET 136.A O no hydrogen 3.171 N/A GLU 142.A N ASP 140.A OD1 no hydrogen 3.269 N/A ASP 148.A N ASP 145.A O no hydrogen 3.152 N/A LEU 149.A N SER 146.A O no hydrogen 3.286 N/A GLN 150.A N GLU 147.A O no hydrogen 3.180 N/A ASP 151.A N ASP 148.A O no hydrogen 3.011 N/A MET 152.A N LEU 149.A O no hydrogen 3.095 N/A SER 153.A N VAL 216.A O no hydrogen 2.840 N/A SER 153.A OG ILE 121.A O no hydrogen 2.890 N/A MET 155.A N PHE 214.A O no hydrogen 2.957 N/A THR 156.A N CYS 99.A O no hydrogen 2.908 N/A LEU 157.A N MET 212.A O no hydrogen 2.954 N/A SER 158.A N SER 97.A O no hydrogen 3.007 N/A THR 159.A N HIS 210.A O no hydrogen 3.016 N/A LYS 160.A N GLU 95.A O no hydrogen 3.090 N/A THR 161.A N GLY 208.A O no hydrogen 2.999 N/A THR 161.A OG1 PRO 162.A O no hydrogen 3.164 N/A PHE 165.A N PRO 162.A O no hydrogen 3.018 N/A THR 167.A N ASP 164.A O no hydrogen 3.413 N/A ASN 168.A N PHE 165.A O no hydrogen 3.428 N/A THR 170.A N LEU 237.A O no hydrogen 2.802 N/A VAL 172.A N SER 235.A O no hydrogen 2.868 N/A LEU 173.A N HIS 201.A O no hydrogen 2.957 N/A HIS 174.A N THR 233.A O no hydrogen 2.824 N/A HIS 174.A NE2 SER 235.A OG no hydrogen 2.717 N/A VAL 175.A N PRO 199.A O no hydrogen 2.976 N/A GLU 179.A N ALA 176.A O no hydrogen 3.298 N/A LYS 182.A N GLU 179.A O no hydrogen 3.064 N/A LYS 182.A NZ SER 178.A O no hydrogen 2.940 N/A LYS 182.A NZ ASP 181.A OD1 no hydrogen 2.687 N/A LYS 182.A NZ ASP 181.A OD2 no hydrogen 3.538 N/A ARG 184.A N GLU 217.A O no hydrogen 3.056 N/A ARG 184.A NH1 CYS 138.A O no hydrogen 3.042 N/A ARG 184.A NH1 GLU 217.A OE2 no hydrogen 2.959 N/A VAL 185.A N LEU 194.A O no hydrogen 2.875 N/A PHE 186.A N TYR 215.A O no hydrogen 2.772 N/A GLN 187.A N SER 191.A O no hydrogen 2.885 N/A ALA 188.A N ASP 213.A O no hydrogen 3.002 N/A SER 191.A N GLN 187.A O no hydrogen 3.199 N/A VAL 193.A N VAL 185.A O no hydrogen 3.018 N/A LEU 194.A N VAL 185.A O no hydrogen 3.279 N/A GLY 195.A N TRP 198.A O no hydrogen 2.952 N/A TRP 198.A N GLY 195.A O no hydrogen 3.039 N/A HIS 201.A N LEU 173.A O no hydrogen 2.936 N/A TYR 202.A OH GLU 246.A OE2 no hydrogen 2.383 N/A LEU 203.A N LEU 171.A O no hydrogen 2.977 N/A HIS 210.A N THR 159.A O no hydrogen 2.885 N/A ASN 211.A ND2 HIS 210.A O no hydrogen 2.629 N/A MET 212.A N LEU 157.A O no hydrogen 2.977 N/A PHE 214.A N MET 155.A O no hydrogen 2.698 N/A TYR 215.A N PHE 186.A O no hydrogen 2.768 N/A VAL 216.A N SER 153.A O no hydrogen 2.919 N/A GLU 217.A N ARG 184.A O no hydrogen 3.037 N/A ALA 218.A N LEU 123.A O no hydrogen 3.053 N/A LEU 219.A N LYS 182.A O no hydrogen 2.872 N/A ASP 223.A N PHE 226.A O no hydrogen 2.912 N/A THR 224.A N ASP 223.A OD1 no hydrogen 2.858 N/A PHE 226.A N ASP 223.A O no hydrogen 2.935 N/A ILE 230.A N PHE 256.A O no hydrogen 2.837 N/A THR 231.A N GLU 179.A OE2 no hydrogen 3.009 N/A LEU 232.A N VAL 254.A O no hydrogen 3.035 N/A THR 233.A N HIS 174.A O no hydrogen 2.892 N/A THR 233.A OG1 SER 253.A OG no hydrogen 2.809 N/A ILE 234.A N ASP 252.A O no hydrogen 2.884 N/A SER 235.A N VAL 172.A O no hydrogen 2.838 N/A SER 235.A OG HIS 174.A NE2 no hydrogen 2.717 N/A LEU 236.A N PHE 250.A O no hydrogen 2.865 N/A LEU 237.A N THR 170.A O no hydrogen 2.684 N/A ASP 238.A N ALA 247.A O no hydrogen 2.815 N/A THR 239.A N ASN 168.A O no hydrogen 2.934 N/A SER 240.A N ASP 238.A OD2 no hydrogen 2.900 N/A SER 240.A OG ASP 238.A OD2 no hydrogen 3.155 N/A LEU 244.A N ASN 241.A O no hydrogen 3.402 N/A ALA 247.A N ASP 238.A O no hydrogen 3.182 N/A VAL 249.A N LEU 236.A O no hydrogen 2.823 N/A GLN 251.A NE2 SER 235.A OG no hydrogen 2.876 N/A ASP 252.A N ILE 234.A O no hydrogen 3.081 N/A SER 253.A OG THR 233.A OG1 no hydrogen 2.809 N/A VAL 254.A N LEU 232.A O no hydrogen 2.970 N/A PHE 256.A N ILE 230.A O no hydrogen 2.715 N/A ARG 257.A N ALA 120.A O no hydrogen 3.011 N/A ARG 257.A NH1 PRO 227.A O no hydrogen 3.155 N/A VAL 258.A N GLY 228.A O no hydrogen 2.835 N/A ALA 259.A N LEU 122.A O no hydrogen 2.916 N/A TRP 261.A N GLN 419.A OE1 no hydrogen 2.897 N/A TRP 261.A NE1 VAL 331.A O no hydrogen 3.122 N/A ILE 262.A N TYR 321.A O no hydrogen 3.022 N/A MET 263.A N GLN 422.A OE1 no hydrogen 2.755 N/A ASN 266.A ND2 PHE 443.A O no hydrogen 3.005 N/A GLN 268.A N PRO 265.A O no hydrogen 3.140 N/A GLN 271.A N ARG 615.A O no hydrogen 2.927 N/A GLU 272.A N ARG 615.A O no hydrogen 3.376 N/A VAL 273.A N LYS 298.A O no hydrogen 2.918 N/A TYR 274.A N ASN 613.A O no hydrogen 2.820 N/A ALA 275.A N THR 300.A O no hydrogen 3.221 N/A CYS 276.A SG CYS 276.A O no hydrogen 2.471 N/A CYS 276.A SG ASP 310.A O no hydrogen 2.911 N/A PHE 279.A N SER 277.A O no hydrogen 2.722 N/A SER 287.A N ASP 283.A O no hydrogen 3.371 N/A SER 287.A OG ASP 283.A O no hydrogen 3.488 N/A VAL 288.A N PHE 284.A O no hydrogen 3.170 N/A THR 289.A N LEU 285.A O no hydrogen 2.737 N/A THR 289.A OG1 LEU 285.A O no hydrogen 2.503 N/A THR 290.A N LYS 286.A O no hydrogen 2.959 N/A THR 290.A OG1 LYS 286.A O no hydrogen 2.821 N/A LEU 291.A N SER 287.A O no hydrogen 3.171 N/A ALA 292.A N VAL 288.A O no hydrogen 2.917 N/A MET 293.A N THR 289.A O no hydrogen 3.163 N/A LYS 294.A N THR 290.A O no hydrogen 2.823 N/A LYS 294.A NZ GLN 591.A OE1 no hydrogen 3.065 N/A ALA 295.A N LEU 291.A O no hydrogen 2.741 N/A LYS 296.A N MET 293.A O no hydrogen 3.315 N/A CYS 297.A N ALA 292.A O no hydrogen 2.947 N/A CYS 297.A SG ALA 295.A O no hydrogen 3.876 N/A LYS 298.A N GLN 271.A O no hydrogen 2.984 N/A THR 300.A N VAL 273.A O no hydrogen 3.006 N/A CYS 302.A N ALA 275.A O no hydrogen 3.021 N/A CYS 302.A SG PRO 303.A O no hydrogen 3.834 N/A CYS 302.A SG ASN 307.A OD1 no hydrogen 3.169 N/A GLU 306.A N PRO 303.A O no hydrogen 3.149 N/A ASN 307.A N PRO 303.A O no hydrogen 2.787 N/A ASN 307.A ND2 CYS 276.A O no hydrogen 3.216 N/A ASN 307.A ND2 CYS 302.A O no hydrogen 3.188 N/A MET 308.A N GLU 304.A O no hydrogen 3.299 N/A ASP 310.A N ASN 307.A O no hydrogen 3.162 N/A GLN 311.A NE2 THR 600.A O no hydrogen 2.722 N/A TRP 312.A N ASP 310.A OD1 no hydrogen 3.179 N/A MET 313.A N GLN 311.A O no hydrogen 3.042 N/A GLN 314.A N ALA 610.A O no hydrogen 3.168 N/A GLN 314.A NE2 HIS 609.A O no hydrogen 3.355 N/A GLN 314.A NE2 THR 612.A O no hydrogen 3.030 N/A ASP 315.A N TRP 312.A O no hydrogen 3.045 N/A GLU 318.A N PHE 333.A O no hydrogen 2.864 N/A GLY 320.A N VAL 331.A O no hydrogen 2.886 N/A TYR 321.A N ILE 262.A O no hydrogen 2.795 N/A ILE 322.A N LEU 329.A O no hydrogen 2.994 N/A GLN 323.A NE2 PHE 619.A O no hydrogen 3.497 N/A ALA 324.A N LYS 327.A O no hydrogen 2.874 N/A LYS 327.A N ALA 324.A O no hydrogen 3.133 N/A LYS 327.A NZ ASP 353.A OD1 no hydrogen 3.051 N/A LEU 329.A N ILE 322.A O no hydrogen 2.986 N/A VAL 331.A N GLY 320.A O no hydrogen 2.826 N/A VAL 332.A N GLY 355.A O no hydrogen 2.910 N/A PHE 333.A N GLU 318.A O no hydrogen 2.793 N/A ASP 334.A N VAL 357.A O no hydrogen 2.912 N/A SER 335.A N GLU 316.A O no hydrogen 2.816 N/A SER 335.A OG ASP 370.A O no hydrogen 2.644 N/A ARG 337.A N SER 335.A OG no hydrogen 3.126 N/A ARG 337.A NH2 ASP 310.A OD1 no hydrogen 2.841 N/A ASN 338.A ND2 GLN 362.A O no hydrogen 2.882 N/A ASN 338.A ND2 GLN 362.A OE1 no hydrogen 2.848 N/A ARG 339.A N GLU 316.A OE2 no hydrogen 3.132 N/A LEU 341.A N ASP 310.A OD2 no hydrogen 3.032 N/A LYS 342.A N ARG 339.A O no hydrogen 2.941 N/A PHE 344.A N LEU 341.A O no hydrogen 2.838 N/A LYS 347.A N GLU 343.A O no hydrogen 2.948 N/A ARG 348.A N PHE 344.A O no hydrogen 2.998 N/A ARG 348.A NE GLU 306.A OE2 no hydrogen 2.875 N/A ARG 348.A NH2 GLU 306.A OE1 no hydrogen 3.223 N/A MET 350.A N PRO 345.A O no hydrogen 2.829 N/A GLY 351.A N PHE 354.A O no hydrogen 3.176 N/A ASP 353.A N ASP 129.A OD1 no hydrogen 3.364 N/A PHE 354.A N GLY 351.A O no hydrogen 3.008 N/A GLY 355.A N PRO 330.A O no hydrogen 2.716 N/A TYR 356.A N CYS 126.A O no hydrogen 2.789 N/A TYR 356.A OH ASP 334.A OD2 no hydrogen 2.566 N/A VAL 357.A N VAL 332.A O no hydrogen 2.989 N/A THR 358.A OG1 ASP 334.A O no hydrogen 2.724 N/A ARG 359.A NE ASP 223.A OD2 no hydrogen 2.834 N/A ARG 359.A NH1 THR 358.A O no hydrogen 2.964 N/A ARG 359.A NH2 ASP 223.A OD2 no hydrogen 2.912 N/A GLN 362.A NE2 THR 358.A OG1 no hydrogen 3.159 N/A GLN 362.A NE2 GLY 360.A O no hydrogen 3.528 N/A SER 367.A N ASP 370.A OD1 no hydrogen 3.124 N/A SER 367.A OG GLN 407.A O no hydrogen 2.994 N/A LEU 369.A N SER 367.A OG no hydrogen 3.414 N/A ASP 370.A N SER 367.A O no hydrogen 3.051 N/A SER 371.A N GLY 368.A O no hydrogen 3.279 N/A SER 371.A OG GLY 368.A O no hydrogen 2.731 N/A PHE 372.A N ASP 315.A O no hydrogen 2.753 N/A GLY 373.A N ASP 315.A OD1 no hydrogen 3.171 N/A ASN 374.A N SER 371.A O no hydrogen 3.071 N/A ASN 374.A ND2 LEU 369.A O no hydrogen 3.129 N/A ASN 374.A ND2 GLY 396.A O no hydrogen 2.896 N/A LEU 375.A N PHE 372.A O no hydrogen 3.155 N/A GLU 376.A N LEU 394.A O no hydrogen 3.035 N/A SER 378.A N ARG 392.A O no hydrogen 2.891 N/A SER 378.A OG PRO 379.A O no hydrogen 2.881 N/A VAL 381.A N TYR 388.A O no hydrogen 3.225 N/A VAL 383.A N LYS 386.A O no hydrogen 2.839 N/A ARG 384.A NH2 ARG 520.A O no hydrogen 3.164 N/A LYS 386.A N VAL 383.A O no hydrogen 3.112 N/A LYS 386.A NZ VAL 627.A O no hydrogen 3.111 N/A LYS 386.A NZ PRO 628.A O no hydrogen 3.211 N/A TYR 388.A N VAL 381.A O no hydrogen 2.788 N/A GLY 391.A N TYR 388.A O no hydrogen 2.910 N/A ARG 392.A N SER 378.A OG no hydrogen 3.131 N/A ARG 392.A NE GLU 521.A O no hydrogen 3.381 N/A ARG 392.A NH1 ALA 423.A O no hydrogen 2.675 N/A ARG 392.A NH2 GLU 521.A O no hydrogen 2.962 N/A ARG 392.A NH2 GLU 521.A OE1 no hydrogen 2.884 N/A ILE 393.A N GLN 422.A O no hydrogen 2.971 N/A LEU 394.A N GLU 376.A O no hydrogen 2.883 N/A PHE 395.A N VAL 425.A O no hydrogen 3.117 N/A ASP 397.A N LEU 427.A O no hydrogen 2.663 N/A SER 398.A N ASP 397.A OD1 no hydrogen 2.567 N/A SER 398.A OG ASP 397.A OD1 no hydrogen 3.116 N/A SER 398.A OG TYR 400.A O no hydrogen 3.148 N/A SER 402.A N SER 405.A OG no hydrogen 2.964 N/A SER 405.A N SER 402.A O no hydrogen 3.323 N/A SER 405.A OG SER 402.A O no hydrogen 3.198 N/A ARG 406.A N ASP 430.A OD1 no hydrogen 3.059 N/A ARG 406.A NH2 LEU 432.A O no hydrogen 3.551 N/A GLN 407.A NE2 MET 408.A O no hydrogen 2.656 N/A HIS 409.A N ASP 370.A OD2 no hydrogen 2.723 N/A GLN 410.A NE2 ASP 414.A OD1 no hydrogen 2.600 N/A ALA 411.A N HIS 409.A ND1 no hydrogen 2.972 N/A LEU 412.A N HIS 409.A O no hydrogen 2.951 N/A GLN 413.A N HIS 409.A O no hydrogen 3.161 N/A ASP 414.A N GLN 410.A O no hydrogen 2.815 N/A PHE 415.A N ALA 411.A O no hydrogen 3.123 N/A LEU 416.A N LEU 412.A O no hydrogen 3.003 N/A SER 417.A N GLN 413.A O no hydrogen 2.988 N/A ALA 418.A N ASP 414.A O no hydrogen 2.936 N/A GLN 419.A N PHE 415.A O no hydrogen 3.190 N/A GLN 419.A N LEU 416.A O no hydrogen 3.255 N/A GLN 419.A NE2 PRO 222.A O no hydrogen 2.870 N/A GLN 419.A NE2 PHE 415.A O no hydrogen 2.796 N/A GLN 420.A N SER 417.A O no hydrogen 3.050 N/A GLN 422.A NE2 MET 263.A O no hydrogen 2.741 N/A GLN 422.A NE2 LEU 390.A O no hydrogen 2.972 N/A VAL 425.A N ILE 393.A O no hydrogen 2.741 N/A LEU 427.A N PHE 395.A O no hydrogen 2.858 N/A TYR 428.A N ASN 514.A OD1 no hydrogen 2.741 N/A SER 429.A N ASP 397.A O no hydrogen 2.880 N/A SER 429.A OG ASN 374.A OD1 no hydrogen 3.501 N/A SER 429.A OG GLY 435.A O no hydrogen 2.663 N/A ASP 430.A N ASP 397.A O no hydrogen 3.268 N/A TRP 431.A NE1 TYR 428.A O no hydrogen 2.961 N/A LEU 432.A N SER 429.A O no hydrogen 3.163 N/A SER 433.A N ALA 544.A O no hydrogen 2.894 N/A GLY 435.A N GLU 439.A OE2 no hydrogen 3.040 N/A HIS 436.A N GLU 439.A OE2 no hydrogen 3.073 N/A HIS 436.A NE2 GLY 368.A O no hydrogen 2.751 N/A VAL 437.A N ASN 374.A OD1 no hydrogen 3.103 N/A ASP 438.A N GLY 373.A O no hydrogen 3.308 N/A GLU 439.A N HIS 436.A O no hydrogen 3.011 N/A PHE 440.A N VAL 437.A O no hydrogen 3.180 N/A LEU 441.A N VAL 437.A O no hydrogen 3.133 N/A SER 442.A N LEU 455.A O no hydrogen 3.037 N/A VAL 444.A N ARG 453.A O no hydrogen 3.029 N/A ALA 446.A N GLY 451.A O no hydrogen 3.168 N/A LYS 450.A NZ GLY 523.A O no hydrogen 3.052 N/A LYS 450.A NZ ASP 528.A OD2 no hydrogen 2.511 N/A GLY 451.A N ASP 448.A O no hydrogen 2.876 N/A ARG 453.A N VAL 444.A O no hydrogen 2.903 N/A LEU 454.A N ASP 528.A O no hydrogen 2.904 N/A LEU 455.A N SER 442.A O no hydrogen 2.901 N/A LEU 456.A N ILE 530.A O no hydrogen 3.096 N/A ALA 457.A N PHE 440.A O no hydrogen 3.008 N/A ARG 460.A NH2 ASP 531.A OD1 no hydrogen 3.243 N/A SER 461.A N SER 458.A OG no hydrogen 3.109 N/A CYS 462.A N PRO 459.A O no hydrogen 3.152 N/A TYR 463.A N PRO 459.A O no hydrogen 3.071 N/A LYS 464.A N ARG 460.A O no hydrogen 2.960 N/A LEU 465.A N SER 461.A O no hydrogen 3.075 N/A PHE 466.A N CYS 462.A O no hydrogen 2.901 N/A GLN 467.A N TYR 463.A O no hydrogen 2.844 N/A GLN 467.A NE2 GLN 467.A O no hydrogen 3.300 N/A GLN 467.A NE2 GLN 470.A OE1 no hydrogen 3.601 N/A GLN 467.A NE2 ASN 471.A OD1 no hydrogen 3.069 N/A GLU 468.A N LYS 464.A O no hydrogen 2.943 N/A GLN 469.A N LEU 465.A O no hydrogen 3.119 N/A GLN 469.A NE2 LEU 465.A O no hydrogen 3.505 N/A GLN 470.A N PHE 466.A O no hydrogen 2.909 N/A ASN 471.A N GLN 467.A O no hydrogen 2.915 N/A GLU 472.A N GLU 468.A O no hydrogen 3.168 N/A GLY 473.A N GLN 470.A O no hydrogen 2.945 N/A HIS 474.A N GLN 469.A O no hydrogen 3.030 N/A ALA 477.A N HIS 474.A O no hydrogen 2.985 N/A LEU 479.A N GLN 489.A O no hydrogen 2.818 N/A PHE 480.A N PHE 567.A O no hydrogen 2.609 N/A ILE 483.A N PHE 480.A O no hydrogen 3.462 N/A GLN 489.A N LEU 479.A O no hydrogen 3.396 N/A LYS 490.A NZ GLU 476.A OE1 no hydrogen 2.499 N/A ILE 491.A N ALA 477.A O no hydrogen 2.979 N/A LYS 492.A N GLY 475.A O no hydrogen 3.054 N/A ASN 493.A N LYS 490.A O no hydrogen 2.942 N/A ILE 494.A N LYS 490.A O no hydrogen 2.997 N/A LEU 495.A N ILE 491.A O no hydrogen 2.960 N/A SER 496.A N LYS 492.A O no hydrogen 3.054 N/A SER 496.A OG LYS 492.A O no hydrogen 3.420 N/A SER 496.A OG ASN 493.A O no hydrogen 3.304 N/A ASN 497.A N ILE 494.A O no hydrogen 3.398 N/A THR 499.A N ASN 497.A OD1 no hydrogen 3.213 N/A LEU 500.A N ASN 497.A OD1 no hydrogen 3.194 N/A ARG 501.A N ASN 497.A O no hydrogen 3.251 N/A ARG 501.A NH1 LEU 495.A O no hydrogen 2.706 N/A ARG 501.A NH2 LEU 495.A O no hydrogen 3.288 N/A GLU 502.A N LYS 498.A O no hydrogen 3.190 N/A HIS 503.A N THR 499.A O no hydrogen 2.876 N/A ASN 504.A N LEU 500.A O no hydrogen 2.888 N/A ASN 504.A ND2 LEU 500.A O no hydrogen 2.822 N/A ASN 504.A ND2 PHE 536.A O no hydrogen 2.762 N/A SER 505.A N ARG 501.A O no hydrogen 2.817 N/A SER 505.A N GLU 502.A O no hydrogen 3.038 N/A PHE 506.A N GLU 502.A O no hydrogen 3.017 N/A VAL 507.A N HIS 503.A O no hydrogen 2.942 N/A GLU 508.A N ASN 504.A O no hydrogen 3.029 N/A ARG 509.A N SER 505.A O no hydrogen 3.124 N/A CYS 510.A N PHE 506.A O no hydrogen 3.111 N/A CYS 510.A SG PHE 506.A O no hydrogen 3.361 N/A ILE 511.A N VAL 507.A O no hydrogen 2.864 N/A ASP 512.A N GLU 508.A O no hydrogen 2.889 N/A TRP 513.A N ARG 509.A O no hydrogen 3.071 N/A ASN 514.A N CYS 510.A O no hydrogen 3.394 N/A ASN 514.A ND2 TYR 428.A O no hydrogen 2.872 N/A ASN 514.A ND2 CYS 510.A O no hydrogen 2.876 N/A ARG 515.A N ILE 511.A O no hydrogen 2.822 N/A ARG 515.A NE GLU 526.A OE2 no hydrogen 2.957 N/A ARG 515.A NH1 ASP 531.A OD1 no hydrogen 3.484 N/A ARG 515.A NH1 ASP 531.A OD2 no hydrogen 2.894 N/A ARG 515.A NH2 GLU 526.A OE1 no hydrogen 2.709 N/A ARG 515.A NH2 ASP 531.A OD1 no hydrogen 3.238 N/A GLU 516.A N ASP 512.A O no hydrogen 3.225 N/A GLU 516.A N TRP 513.A O no hydrogen 3.241 N/A LEU 517.A N TRP 513.A O no hydrogen 3.128 N/A LEU 518.A N ASN 514.A O no hydrogen 2.818 N/A LYS 519.A N ARG 515.A O no hydrogen 2.883 N/A LYS 519.A NZ GLU 516.A OE2 no hydrogen 2.967 N/A LYS 519.A NZ GLU 526.A OE2 no hydrogen 2.718 N/A ARG 520.A N GLU 516.A O no hydrogen 2.804 N/A ARG 520.A NE GLU 521.A OE2 no hydrogen 3.150 N/A ARG 520.A NH2 GLU 521.A OE2 no hydrogen 3.319 N/A GLU 521.A N LEU 517.A O no hydrogen 2.918 N/A LEU 522.A N LEU 518.A O no hydrogen 2.899 N/A LEU 524.A N LYS 519.A O no hydrogen 3.139 N/A ALA 525.A N ASP 528.A OD2 no hydrogen 3.132 N/A ASP 528.A N ALA 525.A O no hydrogen 2.948 N/A ILE 529.A N GLU 526.A O no hydrogen 2.874 N/A ILE 530.A N LEU 454.A O no hydrogen 2.884 N/A ILE 532.A N LEU 456.A O no hydrogen 2.961 N/A GLN 534.A N SER 458.A O no hydrogen 3.015 N/A GLN 534.A NE2 LEU 535.A O no hydrogen 3.025 N/A GLN 534.A NE2 PHE 548.A O no hydrogen 3.018 N/A PHE 536.A N ASN 504.A OD1 no hydrogen 2.841 N/A LYS 537.A N GLU 545.A O no hydrogen 2.920 N/A LYS 539.A N LYS 543.A O no hydrogen 3.008 N/A SER 542.A N LYS 539.A O no hydrogen 3.088 N/A LYS 543.A N GLU 540.A O no hydrogen 3.309 N/A LYS 543.A NZ ASP 430.A O no hydrogen 2.906 N/A ALA 544.A N TRP 431.A O no hydrogen 2.879 N/A GLU 545.A N LYS 537.A O no hydrogen 2.967 N/A PHE 547.A N LEU 535.A O no hydrogen 3.017 N/A ASN 550.A N GLU 607.A OE1 no hydrogen 3.164 N/A ASN 550.A ND2 GLU 439.A O no hydrogen 2.763 N/A MET 551.A N GLN 534.A OE1 no hydrogen 2.978 N/A ASN 553.A N ASN 550.A O no hydrogen 3.013 N/A ASN 553.A ND2 ASP 438.A O no hydrogen 3.073 N/A LEU 555.A N GLY 562.A O no hydrogen 2.980 N/A LEU 557.A N HIS 560.A O no hydrogen 2.916 N/A HIS 560.A N LEU 557.A O no hydrogen 3.047 N/A HIS 560.A ND1 GLN 591.A OE1 no hydrogen 3.194 N/A LEU 561.A N GLN 591.A O no hydrogen 2.892 N/A GLY 562.A N LEU 555.A O no hydrogen 2.801 N/A ILE 563.A N THR 593.A O no hydrogen 2.944 N/A LYS 565.A N ILE 595.A O no hydrogen 2.894 N/A LYS 565.A NZ GLU 578.A OE2 no hydrogen 2.731 N/A ILE 571.A N ARG 574.A O no hydrogen 3.031 N/A ARG 574.A N ILE 571.A O no hydrogen 3.185 N/A ARG 574.A NH1 GLU 578.A OE1 no hydrogen 2.805 N/A CYS 575.A SG PRO 566.A O no hydrogen 3.952 N/A CYS 576.A N PRO 569.A O no hydrogen 3.103 N/A CYS 576.A SG PRO 569.A O no hydrogen 3.521 N/A GLU 579.A N CYS 575.A O no hydrogen 3.053 N/A LYS 580.A N CYS 576.A O no hydrogen 2.883 N/A LYS 580.A NZ SER 461.A OG no hydrogen 3.286 N/A VAL 581.A N LEU 577.A O no hydrogen 2.886 N/A CYS 582.A N GLU 578.A O no hydrogen 2.873 N/A CYS 582.A SG GLU 578.A O no hydrogen 3.318 N/A SER 583.A N GLU 579.A O no hydrogen 2.888 N/A SER 583.A OG LYS 580.A O no hydrogen 2.995 N/A LEU 584.A N VAL 581.A O no hydrogen 3.210 N/A LEU 585.A N VAL 581.A O no hydrogen 3.077 N/A GLU 586.A N CYS 582.A O no hydrogen 3.004 N/A LEU 588.A N LEU 585.A O no hydrogen 3.031 N/A GLY 589.A N GLU 586.A O no hydrogen 2.845 N/A LEU 590.A N LEU 585.A O no hydrogen 3.302 N/A GLN 591.A N LYS 559.A O no hydrogen 2.762 N/A THR 593.A N LEU 561.A O no hydrogen 3.020 N/A ILE 595.A N ILE 563.A O no hydrogen 2.726 N/A PHE 598.A N ASN 596.A OD1 no hydrogen 3.135 N/A TYR 601.A N ASP 597.A O no hydrogen 2.793 N/A HIS 602.A N ASP 597.A O no hydrogen 2.988 N/A HIS 602.A ND1 GLU 607.A OE1 no hydrogen 2.638 N/A ILE 603.A N PHE 598.A O no hydrogen 3.063 N/A ARG 604.A N TYR 601.A O no hydrogen 2.877 N/A HIS 605.A N HIS 602.A O no hydrogen 2.969 N/A GLY 606.A N TYR 601.A O no hydrogen 3.395 N/A HIS 609.A N ASN 553.A O no hydrogen 3.010 N/A HIS 609.A ND1 ASP 438.A OD1 no hydrogen 2.659 N/A ALA 610.A N ASN 553.A OD1 no hydrogen 3.083 N/A GLY 611.A N GLU 607.A O no hydrogen 3.044 N/A THR 612.A N HIS 609.A O no hydrogen 3.180 N/A THR 612.A OG1 VAL 608.A O no hydrogen 2.834 N/A THR 612.A OG1 HIS 609.A O no hydrogen 3.562 N/A ASN 613.A N TYR 274.A O no hydrogen 3.111 N/A ASN 613.A ND2 MET 313.A O no hydrogen 3.144 N/A ASN 613.A ND2 MET 317.A O no hydrogen 2.945 N/A VAL 614.A N ASN 613.A OD1 no hydrogen 2.952 N/A ARG 615.A N GLU 272.A O no hydrogen 2.988 N/A ARG 616.A NH2 VAL 556.A O no hydrogen 2.725 N/A LYS 617.A N PRO 269.A O no hydrogen 2.927 N/A LYS 622.A NZ SER 620.A O no hydrogen 3.268 N/A TRP 623.A N GLN 323.A OE1 no hydrogen 3.203 N/A TRP 623.A NE1 GLN 323.A O no hydrogen 2.744 N/A ASN 625.A N LYS 622.A O no hydrogen 2.992 N/A MET 626.A N TRP 623.A O no hydrogen 3.067 N/A