Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2vnu_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N THR 160.A O no hydrogen 3.227 N/A TYR 7.A OH ASN 56.A O no hydrogen 2.756 N/A TYR 8.A N VAL 96.A O no hydrogen 2.887 N/A TYR 8.A OH GLU 67.A OE1 no hydrogen 2.676 N/A THR 10.A OG1 TYR 97.A OH no hydrogen 2.674 N/A ARG 12.A N SER 9.A OG no hydrogen 3.145 N/A VAL 13.A N SER 9.A O no hydrogen 3.096 N/A GLY 15.A N ARG 12.A O no hydrogen 2.842 N/A LEU 16.A N VAL 13.A O no hydrogen 2.880 N/A ASN 18.A N GLY 14.A O no hydrogen 3.127 N/A GLY 19.A N LEU 16.A O no hydrogen 3.398 N/A VAL 20.A N GLY 15.A O no hydrogen 2.976 N/A LEU 21.A N GLY 15.A O no hydrogen 3.281 N/A TYR 22.A N VAL 66.A O no hydrogen 2.888 N/A GLY 24.A N VAL 64.A O no hydrogen 2.948 N/A ILE 26.A N ASP 62.A O no hydrogen 3.063 N/A GLN 27.A N SER 37.A O no hydrogen 2.858 N/A ILE 28.A N ASN 60.A OD1 no hydrogen 2.946 N/A SER 29.A N GLU 35.A O no hydrogen 3.044 N/A SER 29.A OG ASN 32.A O no hydrogen 2.464 N/A ASN 32.A N SER 29.A OG no hydrogen 2.951 N/A PHE 33.A N LEU 82.A O no hydrogen 2.925 N/A GLY 36.A N ILE 49.A O no hydrogen 2.603 N/A SER 37.A N GLN 27.A O no hydrogen 2.878 N/A VAL 38.A N VAL 47.A O no hydrogen 2.861 N/A VAL 47.A N VAL 38.A O no hydrogen 2.651 N/A LEU 48.A N PRO 91.A O no hydrogen 3.165 N/A ILE 49.A N GLY 36.A O no hydrogen 2.713 N/A GLY 51.A N LEU 34.A O no hydrogen 2.867 N/A ASN 54.A ND2 VAL 50.A O no hydrogen 3.402 N/A LEU 55.A N GLY 51.A O no hydrogen 3.133 N/A ASN 56.A N GLN 52.A O no hydrogen 2.917 N/A ASN 56.A N LYS 53.A O no hydrogen 3.138 N/A ASN 56.A ND2 PRO 5.A O no hydrogen 2.941 N/A ASN 56.A ND2 VAL 95.A O no hydrogen 3.299 N/A ARG 57.A NE ASN 56.A OD1 no hydrogen 3.164 N/A ARG 57.A NH1 TRP 158.A O no hydrogen 3.174 N/A ARG 57.A NH2 PRO 5.A O no hydrogen 3.141 N/A ARG 57.A NH2 ASN 56.A OD1 no hydrogen 3.083 N/A ALA 58.A N LEU 55.A O no hydrogen 2.892 N/A PHE 59.A N ASP 62.A OD2 no hydrogen 3.007 N/A GLY 61.A N ILE 26.A O no hydrogen 2.993 N/A ASP 62.A N PHE 59.A O no hydrogen 2.969 N/A GLN 63.A N ARG 100.A O no hydrogen 2.882 N/A VAL 64.A N GLY 24.A O no hydrogen 2.745 N/A ILE 65.A N TYR 97.A O no hydrogen 3.244 N/A VAL 66.A N TYR 22.A O no hydrogen 2.666 N/A GLU 67.A N LYS 94.A O no hydrogen 2.881 N/A LEU 69.A N THR 92.A O no hydrogen 2.853 N/A GLU 73.A N PRO 70.A O no hydrogen 2.732 N/A TRP 74.A N GLN 71.A O no hydrogen 3.376 N/A SER 78.A N GLU 35.A OE2 no hydrogen 2.524 N/A SER 78.A OG ASN 32.A OD1 no hydrogen 3.516 N/A VAL 81.A N ASN 610.A OD1 no hydrogen 3.023 N/A LEU 82.A N TYR 31.A O no hydrogen 2.717 N/A HIS 86.A N ASP 83.A O no hydrogen 3.160 N/A HIS 86.A ND1 ASP 83.A OD1 no hydrogen 2.652 N/A PHE 87.A N ASP 83.A O no hydrogen 3.221 N/A GLN 90.A N LYS 75.A O no hydrogen 2.995 N/A THR 92.A OG1 LEU 48.A O no hydrogen 3.038 N/A ALA 93.A N LEU 48.A O no hydrogen 2.821 N/A LYS 94.A N GLU 67.A O no hydrogen 2.792 N/A VAL 95.A N ASN 54.A O no hydrogen 2.657 N/A VAL 96.A N ILE 65.A O no hydrogen 2.861 N/A TYR 97.A OH THR 10.A OG1 no hydrogen 2.674 N/A GLN 99.A N GLN 63.A O no hydrogen 2.699 N/A ARG 100.A N GLN 63.A O no hydrogen 3.259 N/A ARG 101.A NH1 ARG 57.A O no hydrogen 2.910 N/A ARG 101.A NH2 ARG 57.A O no hydrogen 2.809 N/A SER 102.A N ASP 62.A OD1 no hydrogen 3.067 N/A SER 102.A OG ASN 60.A O no hydrogen 2.991 N/A SER 102.A OG ASP 62.A OD1 no hydrogen 2.648 N/A ARG 104.A NE GLN 105.A O no hydrogen 3.265 N/A ARG 104.A NH2 GLU 189.A OE2 no hydrogen 2.801 N/A TYR 106.A N ILE 153.A O no hydrogen 2.918 N/A VAL 107.A N GLU 189.A OE2 no hydrogen 2.832 N/A GLY 108.A N ILE 151.A O no hydrogen 2.871 N/A GLN 109.A N ILE 128.A O no hydrogen 2.838 N/A ALA 111.A N PHE 126.A O no hydrogen 2.861 N/A SER 114.A N ALA 111.A O no hydrogen 3.006 N/A SER 114.A OG ALA 111.A O no hydrogen 2.844 N/A VAL 115.A N PRO 112.A O no hydrogen 3.355 N/A ASP 116.A N GLN 123.A OE1 no hydrogen 2.816 N/A SER 119.A N ASP 116.A O no hydrogen 3.333 N/A GLN 123.A N THR 140.A O no hydrogen 3.014 N/A GLN 123.A NE2 ASP 116.A O no hydrogen 2.952 N/A GLN 123.A NE2 SER 119.A O no hydrogen 3.430 N/A VAL 125.A N ILE 138.A O no hydrogen 3.028 N/A PHE 126.A N SER 114.A OG no hydrogen 2.766 N/A VAL 127.A N VAL 136.A O no hydrogen 2.676 N/A ILE 128.A N GLN 109.A O no hydrogen 2.868 N/A CYS 132.A N ASP 130.A OD1 no hydrogen 3.082 N/A LEU 133.A N ASP 130.A O no hydrogen 3.191 N/A VAL 136.A N VAL 127.A O no hydrogen 3.007 N/A ARG 137.A N PRO 165.A O no hydrogen 3.040 N/A ILE 138.A N VAL 125.A O no hydrogen 3.001 N/A THR 140.A N GLN 123.A O no hydrogen 3.162 N/A ARG 142.A N THR 140.A OG1 no hydrogen 3.369 N/A LEU 146.A N ARG 142.A O no hydrogen 3.139 N/A LEU 146.A N ALA 143.A O no hydrogen 3.207 N/A LYS 149.A NZ ASP 172.A OD1 no hydrogen 3.342 N/A ARG 150.A N GLY 174.A O no hydrogen 2.725 N/A ARG 150.A NH1 GLU 182.A OE1 no hydrogen 2.844 N/A ARG 150.A NH1 GLU 182.A OE2 no hydrogen 2.856 N/A ILE 151.A N GLY 108.A O no hydrogen 2.975 N/A VAL 152.A N ARG 171.A O no hydrogen 2.892 N/A ILE 153.A N TYR 106.A O no hydrogen 2.854 N/A SER 154.A N HIS 168.A O no hydrogen 2.925 N/A ASP 156.A N LEU 166.A O no hydrogen 2.851 N/A SER 157.A N LEU 166.A O no hydrogen 3.346 N/A TRP 158.A NE1 HIS 162.A O no hydrogen 2.922 N/A THR 160.A OG1 PHE 4.A O no hydrogen 3.021 N/A HIS 162.A N PRO 159.A O no hydrogen 2.972 N/A LYS 163.A NZ ASP 88.A OD2 no hydrogen 2.818 N/A LYS 163.A NZ TYR 164.A OH no hydrogen 3.514 N/A LEU 166.A N SER 157.A O no hydrogen 2.742 N/A GLY 167.A N ARG 137.A O no hydrogen 3.016 N/A HIS 168.A N SER 154.A O no hydrogen 2.859 N/A HIS 168.A ND1 ASP 156.A OD1 no hydrogen 2.865 N/A HIS 168.A ND1 ASP 156.A OD2 no hydrogen 3.168 N/A VAL 170.A N VAL 152.A O no hydrogen 2.765 N/A ARG 171.A N VAL 152.A O no hydrogen 3.276 N/A ARG 171.A NH2 GLU 184.A OE2 no hydrogen 2.544 N/A LEU 173.A N ARG 150.A O no hydrogen 2.792 N/A ILE 176.A N ASP 148.A O no hydrogen 3.480 N/A SER 178.A N THR 175.A O no hydrogen 3.256 N/A ALA 181.A N SER 178.A OG no hydrogen 3.156 N/A THR 183.A N ALA 179.A O no hydrogen 2.893 N/A THR 183.A OG1 ALA 179.A O no hydrogen 3.135 N/A GLU 184.A N GLN 180.A O no hydrogen 2.907 N/A ALA 185.A N ALA 181.A O no hydrogen 2.990 N/A LEU 186.A N GLU 182.A O no hydrogen 3.128 N/A LEU 187.A N THR 183.A O no hydrogen 3.192 N/A LEU 188.A N GLU 184.A O no hydrogen 3.150 N/A GLU 189.A N ALA 185.A O no hydrogen 3.047 N/A HIS 190.A ND1 LEU 186.A O no hydrogen 2.821 N/A ASP 191.A N LEU 188.A O no hydrogen 2.916 N/A VAL 192.A N LEU 187.A O no hydrogen 2.894 N/A ARG 195.A N GLU 193.A OE2 no hydrogen 3.006 N/A VAL 201.A N SER 198.A OG no hydrogen 3.202 N/A LEU 202.A N SER 198.A O no hydrogen 2.963 N/A GLU 203.A N LYS 199.A O no hydrogen 2.875 N/A CYS 204.A N VAL 201.A O no hydrogen 3.032 N/A CYS 204.A SG LYS 200.A O no hydrogen 3.583 N/A CYS 204.A SG VAL 201.A O no hydrogen 3.594 N/A LEU 205.A N LEU 202.A O no hydrogen 3.225 N/A GLY 209.A N PRO 206.A O no hydrogen 2.933 N/A HIS 210.A ND1 ASP 311.A OD2 no hydrogen 2.765 N/A ASP 211.A N GLU 208.A O no hydrogen 3.075 N/A TRP 212.A N GLY 209.A O no hydrogen 3.292 N/A ASP 220.A N LYS 217.A O no hydrogen 2.969 N/A ALA 223.A N ASP 220.A OD2 no hydrogen 2.939 N/A VAL 224.A N ASP 220.A O no hydrogen 2.836 N/A SER 225.A N GLU 222.A O no hydrogen 3.054 N/A LYS 226.A N GLU 222.A O no hydrogen 3.443 N/A ASP 227.A N ALA 223.A O no hydrogen 3.008 N/A LEU 230.A N ASP 227.A O no hydrogen 3.308 N/A THR 231.A OG1 PRO 228.A O no hydrogen 3.323 N/A LYS 232.A N LEU 229.A O no hydrogen 3.028 N/A LYS 232.A NZ GLY 552.A O no hydrogen 2.752 N/A LYS 232.A NZ TYR 553.A O no hydrogen 3.530 N/A ARG 233.A N LEU 230.A O no hydrogen 3.179 N/A ARG 233.A NH1 ASP 274.A OD2 no hydrogen 3.204 N/A ARG 233.A NH1 SER 343.A O no hydrogen 3.127 N/A ARG 233.A NH2 ASP 274.A OD2 no hydrogen 2.979 N/A LYS 234.A N LYS 342.A O no hydrogen 2.697 N/A LEU 236.A N VAL 344.A O no hydrogen 2.961 N/A ARG 237.A N ASP 235.A OD1 no hydrogen 3.131 N/A ARG 237.A NE ASP 235.A OD1 no hydrogen 3.087 N/A ARG 237.A NH1 PRO 215.A O no hydrogen 2.832 N/A ARG 237.A NH1 ASP 320.A OD2 no hydrogen 3.358 N/A ARG 237.A NH2 THR 216.A O no hydrogen 2.835 N/A ARG 237.A NH2 ASP 235.A OD2 no hydrogen 2.754 N/A LYS 239.A N LEU 236.A O no hydrogen 3.137 N/A LYS 239.A NZ GLU 267.A OE2 no hydrogen 2.937 N/A ILE 241.A N LYS 239.A O no hydrogen 2.965 N/A CYS 242.A N LEU 256.A O no hydrogen 3.066 N/A SER 243.A N GLU 349.A O no hydrogen 3.071 N/A ASP 245.A N PHE 351.A O no hydrogen 2.913 N/A CYS 249.A SG ASP 251.A OD1 no hydrogen 3.901 N/A ASP 251.A N ASP 251.A OD1 no hydrogen 2.517 N/A ILE 252.A N SER 314.A OG no hydrogen 2.997 N/A ASN 253.A ND2 ASP 251.A O no hydrogen 3.358 N/A ALA 255.A N HIS 271.A O no hydrogen 2.767 N/A LEU 256.A N CYS 242.A O no hydrogen 2.847 N/A HIS 257.A N GLY 269.A O no hydrogen 2.997 N/A HIS 257.A NE2 GLU 267.A OE2 no hydrogen 2.647 N/A LYS 259.A N GLU 267.A O no hydrogen 2.812 N/A LEU 261.A N ASN 265.A O no hydrogen 2.849 N/A ASN 263.A ND2 GLU 329.A OE2 no hydrogen 3.148 N/A GLY 264.A N LEU 261.A O no hydrogen 3.377 N/A ASN 265.A N ASN 263.A OD1 no hydrogen 3.037 N/A ASN 265.A ND2 GLU 329.A OE2 no hydrogen 2.619 N/A TRP 266.A N LEU 330.A O no hydrogen 2.734 N/A TRP 266.A NE1 ASP 332.A OD1 no hydrogen 3.207 N/A GLU 267.A N LYS 259.A O no hydrogen 2.764 N/A VAL 268.A N TRP 328.A O no hydrogen 3.156 N/A GLY 269.A N HIS 257.A O no hydrogen 3.017 N/A VAL 270.A N VAL 326.A O no hydrogen 2.848 N/A HIS 271.A N ALA 255.A O no hydrogen 2.802 N/A ILE 272.A N PHE 324.A O no hydrogen 3.119 N/A ALA 273.A N ASN 253.A O no hydrogen 2.793 N/A PHE 278.A N VAL 275.A O no hydrogen 3.040 N/A VAL 279.A N VAL 275.A O no hydrogen 2.847 N/A LYS 280.A NZ HIS 277.A O no hydrogen 3.479 N/A THR 283.A N LYS 280.A O no hydrogen 3.421 N/A THR 283.A OG1 LYS 280.A O no hydrogen 2.534 N/A ASP 286.A N THR 283.A OG1 no hydrogen 3.369 N/A ALA 287.A N THR 283.A O no hydrogen 3.072 N/A GLU 288.A N ALA 284.A O no hydrogen 2.939 N/A GLY 289.A N LEU 285.A O no hydrogen 3.154 N/A ALA 290.A N ASP 286.A O no hydrogen 2.807 N/A ALA 291.A N ALA 287.A O no hydrogen 3.200 N/A ARG 292.A N GLU 288.A O no hydrogen 2.896 N/A ARG 292.A NE GLU 288.A OE1 no hydrogen 2.866 N/A ARG 292.A NH1 ASP 304.A O no hydrogen 2.805 N/A ARG 292.A NH2 ARG 195.A O no hydrogen 2.812 N/A GLY 293.A N GLY 289.A O no hydrogen 2.805 N/A THR 294.A OG1 SER 295.A O no hydrogen 3.265 N/A THR 294.A OG1 ARG 536.A O no hydrogen 3.397 N/A SER 295.A N ARG 536.A O no hydrogen 2.752 N/A VAL 296.A N ILE 303.A O no hydrogen 2.931 N/A TYR 297.A OH ASP 251.A OD2 no hydrogen 3.337 N/A LEU 298.A N LYS 301.A O no hydrogen 2.651 N/A VAL 299.A N SER 585.A OG no hydrogen 2.976 N/A LYS 301.A NZ ASP 300.A O no hydrogen 3.422 N/A ARG 302.A NE.B ASP 251.A OD2 no hydrogen 3.441 N/A ILE 303.A N VAL 296.A O no hydrogen 2.755 N/A LEU 308.A N PRO 306.A O no hydrogen 3.008 N/A GLY 309.A N PRO 306.A O no hydrogen 3.242 N/A ASP 311.A N LEU 308.A O no hydrogen 3.306 N/A LEU 312.A N LEU 307.A O no hydrogen 2.815 N/A CYS 313.A N LEU 308.A O no hydrogen 2.989 N/A SER 314.A OG VAL 250.A O no hydrogen 2.599 N/A LEU 315.A N ILE 252.A O no hydrogen 2.901 N/A LYS 316.A NZ ASP 311.A OD1 no hydrogen 2.618 N/A TYR 318.A N SER 347.A O no hydrogen 2.846 N/A ARG 321.A N ILE 345.A O no hydrogen 2.892 N/A ARG 321.A NE ASP 311.A O no hydrogen 2.858 N/A ARG 321.A NE SER 314.A O no hydrogen 3.001 N/A ARG 321.A NH1 ASP 311.A O no hydrogen 2.900 N/A ARG 321.A NH2 ASP 320.A O no hydrogen 3.076 N/A ALA 323.A N SER 343.A O no hydrogen 3.021 N/A PHE 324.A N ILE 272.A O no hydrogen 2.750 N/A SER 325.A OG SER 343.A OG no hydrogen 2.575 N/A VAL 326.A N VAL 270.A O no hydrogen 2.871 N/A ILE 327.A N ASN 340.A O no hydrogen 2.879 N/A TRP 328.A N VAL 268.A O no hydrogen 2.932 N/A TRP 328.A NE1 SER 432.A OG no hydrogen 2.850 N/A GLU 329.A N ASN 338.A O no hydrogen 2.890 N/A LEU 330.A N TRP 266.A O no hydrogen 2.852 N/A ASP 331.A N ASN 335.A O no hydrogen 2.937 N/A ALA 334.A N ASP 331.A O no hydrogen 3.107 N/A ASN 335.A ND2 ASP 331.A OD2 no hydrogen 2.584 N/A VAL 337.A N GLU 329.A O no hydrogen 2.740 N/A ASN 338.A ND2 GLU 329.A OE1 no hydrogen 3.404 N/A ASN 340.A N ILE 327.A O no hydrogen 2.765 N/A LYS 342.A NZ ASP 274.A OD1 no hydrogen 2.733 N/A LYS 342.A NZ ASP 274.A OD2 no hydrogen 3.385 N/A SER 343.A N ALA 323.A O no hydrogen 2.890 N/A SER 343.A OG SER 325.A OG no hydrogen 2.575 N/A VAL 344.A N LYS 234.A O no hydrogen 2.933 N/A ILE 345.A N ARG 321.A O no hydrogen 2.753 N/A ARG 346.A NE ASP 320.A OD1 no hydrogen 3.272 N/A ARG 348.A N ILE 241.A O no hydrogen 2.681 N/A ARG 348.A NH1 ARG 237.A O no hydrogen 3.281 N/A ARG 348.A NH1 ARG 346.A O no hydrogen 2.825 N/A ARG 348.A NH2 ARG 237.A O no hydrogen 3.307 N/A PHE 351.A N SER 243.A O no hydrogen 2.788 N/A SER 352.A N GLN 355.A OE1 no hydrogen 2.951 N/A GLN 355.A N SER 352.A OG no hydrogen 3.245 N/A ALA 356.A N SER 352.A O no hydrogen 3.141 N/A GLN 357.A N TYR 353.A O no hydrogen 3.070 N/A GLN 357.A NE2 ASP 361.A OD2 no hydrogen 2.783 N/A LEU 358.A N GLU 354.A O no hydrogen 3.062 N/A ARG 359.A N GLN 355.A O no hydrogen 2.898 N/A ARG 359.A NE THR 370.A OG1 no hydrogen 2.974 N/A ARG 359.A NH2 ASP 367.A OD1 no hydrogen 3.425 N/A ARG 359.A NH2 THR 370.A OG1 no hydrogen 3.398 N/A ILE 360.A N ALA 356.A O no hydrogen 2.987 N/A ASP 361.A N GLN 357.A O no hydrogen 2.917 N/A ASP 362.A N ARG 359.A O no hydrogen 3.236 N/A THR 364.A N ASP 362.A OD1 no hydrogen 3.284 N/A THR 364.A OG1 ASP 362.A OD1 no hydrogen 2.703 N/A THR 364.A OG1 ASP 362.A OD2 no hydrogen 3.330 N/A GLN 365.A N ASP 362.A O no hydrogen 2.961 N/A GLN 365.A NE2 ASP 362.A OD2 no hydrogen 2.754 N/A THR 370.A OG1 ASP 367.A OD1 no hydrogen 2.473 N/A ARG 372.A NE ILE 360.A O no hydrogen 2.990 N/A ARG 372.A NH1 GLN 365.A O no hydrogen 2.893 N/A ARG 372.A NH2 ILE 360.A O no hydrogen 3.113 N/A ARG 372.A NH2 GLN 365.A O no hydrogen 2.942 N/A LEU 374.A N GLY 371.A O no hydrogen 2.940 N/A LYS 376.A N ARG 372.A O no hydrogen 3.137 N/A LEU 377.A N ALA 373.A O no hydrogen 2.955 N/A SER 378.A N LEU 374.A O no hydrogen 2.970 N/A SER 378.A OG LEU 375.A O no hydrogen 2.664 N/A VAL 379.A N LEU 375.A O no hydrogen 3.027 N/A LYS 380.A N LYS 376.A O no hydrogen 3.364 N/A LYS 380.A NZ ASP 332.A O no hydrogen 2.908 N/A LEU 381.A N LEU 377.A O no hydrogen 2.850 N/A LYS 382.A N SER 378.A O no hydrogen 2.887 N/A LYS 382.A NZ ASN 392.A OD1 no hydrogen 3.555 N/A GLN 383.A N VAL 379.A O no hydrogen 3.014 N/A LYS 384.A N LYS 380.A O no hydrogen 3.070 N/A ARG 385.A N LEU 381.A O no hydrogen 3.028 N/A ARG 385.A NH2 GLU 425.A OE2 no hydrogen 2.857 N/A LEU 386.A N LYS 382.A O no hydrogen 2.965 N/A GLU 387.A N GLN 383.A O no hydrogen 3.015 N/A ALA 388.A N LYS 384.A O no hydrogen 2.996 N/A GLY 389.A N LEU 386.A O no hydrogen 3.193 N/A ALA 390.A N ARG 385.A O no hydrogen 3.055 N/A LEU 391.A N GLY 522.A O no hydrogen 2.883 N/A ASN 392.A ND2 ASN 392.A O no hydrogen 2.652 N/A SER 395.A OG LEU 393.A O no hydrogen 3.419 N/A LYS 399.A N GLU 412.A O no hydrogen 2.858 N/A HIS 401.A N GLU 410.A O no hydrogen 2.733 N/A SER 406.A OG TYR 589.A OH no hydrogen 3.228 N/A ASN 409.A N HIS 401.A O no hydrogen 2.680 N/A ASN 409.A ND2 GLU 410.A OE1 no hydrogen 2.794 N/A GLU 410.A N HIS 401.A O no hydrogen 3.351 N/A GLU 412.A N LYS 399.A O no hydrogen 2.776 N/A LYS 414.A N GLU 397.A O no hydrogen 2.846 N/A THR 419.A N GLN 357.A OE1 no hydrogen 3.036 N/A THR 419.A OG1 TYR 353.A O no hydrogen 2.788 N/A ASN 420.A N LEU 417.A O no hydrogen 3.080 N/A ASN 420.A ND2 LEU 417.A O no hydrogen 3.341 N/A SER 421.A N ALA 418.A O no hydrogen 3.037 N/A LEU 422.A N ALA 418.A O no hydrogen 2.920 N/A VAL 423.A N THR 419.A O no hydrogen 3.235 N/A GLU 424.A N ASN 420.A O no hydrogen 3.261 N/A GLU 425.A N SER 421.A O no hydrogen 3.068 N/A LEU 428.A N GLU 425.A O no hydrogen 2.906 N/A ALA 429.A N PHE 426.A O no hydrogen 2.810 N/A ASN 430.A ND2 TYR 528.A OH no hydrogen 3.117 N/A ASN 430.A ND2 THR 532.A OG1 no hydrogen 3.314 N/A ILE 431.A N LEU 427.A O no hydrogen 2.979 N/A SER 432.A N LEU 428.A O no hydrogen 3.092 N/A SER 432.A OG LEU 428.A O no hydrogen 3.257 N/A VAL 433.A N ALA 429.A O no hydrogen 3.160 N/A ALA 434.A N ASN 430.A O no hydrogen 3.147 N/A ARG 435.A N ILE 431.A O no hydrogen 3.240 N/A LYS 436.A N SER 432.A O no hydrogen 3.272 N/A ILE 437.A N VAL 433.A O no hydrogen 2.754 N/A TYR 438.A N ALA 434.A O no hydrogen 3.083 N/A ASP 439.A N ARG 435.A O no hydrogen 3.187 N/A ALA 440.A N LYS 436.A O no hydrogen 3.009 N/A PHE 441.A N ILE 437.A O no hydrogen 2.787 N/A THR 444.A N PHE 441.A O no hydrogen 3.131 N/A THR 444.A OG1 HIS 560.A O no hydrogen 2.836 N/A ALA 445.A N SER 510.A OG no hydrogen 3.282 N/A ARG 447.A N TYR 528.A O no hydrogen 2.866 N/A ARG 448.A N GLN 506.A O no hydrogen 2.949 N/A ARG 448.A NE ASP 517.A O no hydrogen 2.760 N/A ARG 448.A NH1 GLN 506.A OE1 no hydrogen 2.730 N/A ARG 448.A NH2 ASP 517.A O no hydrogen 3.516 N/A HIS 449.A N ARG 519.A O no hydrogen 2.998 N/A ASN 456.A N PRO 453.A O no hydrogen 3.001 N/A ASN 456.A ND2 CYS 503.A O no hydrogen 2.822 N/A PHE 457.A N SER 454.A O no hydrogen 3.007 N/A GLU 458.A N THR 455.A O no hydrogen 3.417 N/A ASN 461.A N PHE 457.A O no hydrogen 3.030 N/A ASN 461.A ND2 PHE 457.A O no hydrogen 2.923 N/A ASN 461.A ND2 ILE 470.A O no hydrogen 3.336 N/A GLU 462.A N GLU 458.A O no hydrogen 3.171 N/A ASN 464.A N ASN 461.A O no hydrogen 2.985 N/A THR 465.A N GLU 462.A O no hydrogen 3.022 N/A THR 465.A OG1 VAL 642.A O no hydrogen 3.509 N/A ARG 466.A NE.A GLU 643.A O no hydrogen 2.795 N/A ARG 466.A NH2.B VAL 661.A O no hydrogen 2.743 N/A LYS 467.A N LEU 463.A O no hydrogen 3.046 N/A ASN 468.A N ASN 464.A O no hydrogen 3.132 N/A ILE 470.A N ASN 461.A OD1 no hydrogen 2.657 N/A SER 471.A N SER 481.A OG no hydrogen 3.161 N/A SER 475.A OG GLY 389.A O no hydrogen 2.803 N/A LYS 476.A NZ ASP 480.A OD1 no hydrogen 3.304 N/A LYS 476.A NZ ASP 480.A OD2 no hydrogen 2.836 N/A ALA 477.A N SER 474.A OG no hydrogen 3.344 N/A LEU 478.A N SER 474.A O no hydrogen 2.950 N/A ALA 479.A N SER 475.A O no hydrogen 2.819 N/A ASP 480.A N LYS 476.A O no hydrogen 2.819 N/A SER 481.A N ALA 477.A O no hydrogen 2.981 N/A SER 481.A OG ALA 477.A O no hydrogen 2.903 N/A SER 481.A OG LEU 478.A O no hydrogen 3.194 N/A LEU 482.A N LEU 478.A O no hydrogen 3.095 N/A ASP 483.A N ALA 479.A O no hydrogen 3.009 N/A ARG 484.A N ASP 480.A O no hydrogen 3.105 N/A ARG 484.A N SER 481.A O no hydrogen 3.164 N/A ARG 484.A NH2 ASP 480.A O no hydrogen 2.870 N/A CYS 485.A N LEU 482.A O no hydrogen 3.011 N/A CYS 485.A SG SER 481.A O no hydrogen 3.453 N/A GLU 489.A N ASP 487.A OD1 no hydrogen 3.265 N/A ASP 490.A N ASP 487.A O no hydrogen 3.171 N/A TYR 492.A N ASP 490.A OD1 no hydrogen 3.289 N/A PHE 493.A N ASP 490.A O no hydrogen 3.291 N/A ASN 494.A ND2 LEU 482.A O no hydrogen 2.962 N/A ASN 494.A ND2 CYS 485.A O no hydrogen 2.632 N/A THR 495.A N TYR 492.A O no hydrogen 2.807 N/A LEU 496.A N TYR 492.A O no hydrogen 2.972 N/A VAL 497.A N PHE 493.A O no hydrogen 3.100 N/A ARG 498.A N ASN 494.A O no hydrogen 3.136 N/A ARG 498.A NH1 ASP 483.A OD1 no hydrogen 2.720 N/A ARG 498.A NH2 ASN 494.A OD1 no hydrogen 2.159 N/A ILE 499.A N THR 495.A O no hydrogen 2.935 N/A SER 500.A OG VAL 497.A O no hydrogen 2.907 N/A THR 501.A N ARG 498.A O no hydrogen 3.202 N/A THR 501.A OG1 LEU 393.A O no hydrogen 3.514 N/A THR 501.A OG1 ARG 498.A O no hydrogen 3.229 N/A ARG 502.A NH1 GLU 622.A OE2 no hydrogen 2.627 N/A ARG 502.A NH2 GLU 622.A OE2 no hydrogen 2.710 N/A CYS 503.A N SER 500.A O no hydrogen 2.921 N/A CYS 503.A SG ASN 456.A O no hydrogen 3.315 N/A GLN 506.A N ARG 448.A O no hydrogen 2.911 N/A GLN 506.A NE2 TYR 513.A OH no hydrogen 2.721 N/A TYR 507.A N ASN 572.A OD1 no hydrogen 2.956 N/A TYR 507.A OH HIS 530.A ND1 no hydrogen 2.573 N/A PHE 508.A N LEU 446.A O no hydrogen 2.902 N/A SER 510.A N ALA 445.A O no hydrogen 2.826 N/A SER 510.A OG PHE 441.A O no hydrogen 3.544 N/A SER 510.A OG PRO 442.A O no hydrogen 2.606 N/A ALA 512.A N TYR 509.A O no hydrogen 2.903 N/A TYR 515.A OH ASP 526.A OD2 no hydrogen 3.411 N/A ASP 517.A N SER 514.A O no hydrogen 2.825 N/A PHE 518.A N TYR 515.A O no hydrogen 2.987 N/A HIS 520.A N VAL 525.A O no hydrogen 2.902 N/A TYR 521.A N HIS 449.A O no hydrogen 2.961 N/A LEU 523.A N HIS 520.A ND1 no hydrogen 3.192 N/A ALA 524.A N TYR 521.A O no hydrogen 3.044 N/A VAL 525.A N HIS 520.A O no hydrogen 3.267 N/A ASP 526.A N ASP 526.A OD1 no hydrogen 2.321 N/A HIS 530.A ND1 TYR 507.A OH no hydrogen 2.573 N/A PHE 531.A N ASN 430.A OD1 no hydrogen 2.763 N/A THR 532.A N ASN 430.A OD1 no hydrogen 3.211 N/A SER 533.A N ASP 540.A OD2 no hydrogen 2.789 N/A ILE 535.A N ASN 253.A OD1 no hydrogen 3.179 N/A ARG 536.A N SER 533.A O no hydrogen 3.097 N/A ARG 537.A N SER 533.A O no hydrogen 3.054 N/A ARG 537.A NH1 ASP 540.A OD1 no hydrogen 3.406 N/A ARG 537.A NH1 ASP 540.A OD2 no hydrogen 2.876 N/A TYR 538.A N GLY 293.A O no hydrogen 2.936 N/A TYR 538.A OH ASP 286.A OD1 no hydrogen 2.531 N/A CYS 539.A SG HIS 530.A O no hydrogen 3.602 N/A VAL 542.A N TYR 538.A O no hydrogen 3.300 N/A ALA 543.A N CYS 539.A O no hydrogen 3.012 N/A HIS 544.A N ASP 540.A O no hydrogen 2.989 N/A ARG 545.A N VAL 541.A O no hydrogen 3.068 N/A ARG 545.A NH1 ASP 286.A OD1 no hydrogen 3.161 N/A ARG 545.A NH1 TYR 538.A OH no hydrogen 3.086 N/A ARG 545.A NH1 HIS 560.A NE2 no hydrogen 3.063 N/A ARG 545.A NH2 VAL 279.A O no hydrogen 2.840 N/A ARG 545.A NH2 ASP 286.A OD1 no hydrogen 2.820 N/A GLN 546.A N VAL 542.A O no hydrogen 2.954 N/A GLN 546.A NE2 THR 444.A O no hydrogen 2.747 N/A GLN 546.A NE2 HIS 560.A O no hydrogen 3.367 N/A LEU 547.A N ALA 543.A O no hydrogen 2.864 N/A ALA 548.A N HIS 544.A O no hydrogen 2.971 N/A GLY 549.A N ARG 545.A O no hydrogen 2.837 N/A ALA 550.A N GLN 546.A O no hydrogen 2.773 N/A ILE 551.A N LEU 547.A O no hydrogen 2.929 N/A GLY 552.A N GLY 549.A O no hydrogen 3.269 N/A TYR 553.A N ALA 548.A O no hydrogen 3.023 N/A GLU 554.A N ALA 548.A O no hydrogen 3.243 N/A HIS 560.A N SER 557.A O no hydrogen 2.915 N/A ARG 561.A N LEU 558.A O no hydrogen 3.071 N/A LYS 565.A N ASP 562.A OD1 no hydrogen 2.856 N/A ARG 569.A N ASP 566.A O no hydrogen 3.269 N/A ASN 570.A ND2 ALA 291.A O no hydrogen 3.492 N/A ILE 571.A N ILE 567.A O no hydrogen 2.947 N/A ASN 572.A N CYS 568.A O no hydrogen 2.967 N/A ASN 572.A ND2 TYR 507.A O no hydrogen 3.224 N/A ARG 573.A N ARG 569.A O no hydrogen 3.277 N/A ARG 573.A NH2 ASP 191.A OD2 no hydrogen 2.733 N/A LYS 574.A N ASN 570.A O no hydrogen 2.831 N/A LYS 574.A NZ ASP 191.A O no hydrogen 2.948 N/A HIS 575.A N ILE 571.A O no hydrogen 2.874 N/A ARG 576.A N ASN 572.A O no hydrogen 3.204 N/A ASN 577.A N ARG 573.A O no hydrogen 3.009 N/A ALA 578.A N LYS 574.A O no hydrogen 3.027 N/A GLN 579.A N HIS 575.A O no hydrogen 3.074 N/A PHE 580.A N ARG 576.A O no hydrogen 2.968 N/A ALA 581.A N ASN 577.A O no hydrogen 2.894 N/A GLY 582.A N ALA 578.A O no hydrogen 2.937 N/A ARG 583.A N GLN 579.A O no hydrogen 3.076 N/A ALA 584.A N PHE 580.A O no hydrogen 3.061 N/A SER 585.A N ALA 581.A O no hydrogen 3.054 N/A ILE 586.A N GLY 582.A O no hydrogen 3.264 N/A GLU 587.A N ARG 583.A O no hydrogen 2.934 N/A TYR 588.A N ALA 584.A O no hydrogen 3.070 N/A TYR 589.A N SER 585.A O no hydrogen 3.003 N/A TYR 589.A OH SER 406.A OG no hydrogen 3.228 N/A VAL 590.A N ILE 586.A O no hydrogen 2.801 N/A GLY 591.A N GLU 587.A O no hydrogen 2.923 N/A GLN 592.A N TYR 588.A O no hydrogen 3.247 N/A VAL 593.A N TYR 589.A O no hydrogen 3.022 N/A ASN 595.A N GLN 592.A O no hydrogen 3.373 N/A ASN 595.A N VAL 593.A O no hydrogen 3.333 N/A SER 598.A OG THR 599.A O no hydrogen 3.482 N/A SER 598.A OG GLU 600.A OE2 no hydrogen 2.987 N/A GLU 600.A N VAL 667.A O no hydrogen 2.651 N/A GLY 602.A N VAL 665.A O no hydrogen 2.760 N/A TYR 603.A N LEU 615.A O no hydrogen 2.778 N/A TYR 603.A OH ASP 490.A OD1 no hydrogen 2.918 N/A TYR 603.A OH ASP 490.A OD2 no hydrogen 3.204 N/A VAL 604.A N ASP 663.A O no hydrogen 2.970 N/A ILE 605.A N VAL 613.A O no hydrogen 3.062 N/A PHE 608.A N GLY 611.A O no hydrogen 2.826 N/A ASN 609.A N SER 79.A O no hydrogen 2.690 N/A ASN 610.A ND2 VAL 81.A O no hydrogen 3.144 N/A ILE 612.A N ILE 625.A O no hydrogen 2.996 N/A VAL 613.A N LYS 606.A O no hydrogen 2.834 N/A VAL 614.A N GLY 623.A O no hydrogen 2.834 N/A LEU 615.A N TYR 603.A O no hydrogen 2.767 N/A VAL 616.A N VAL 621.A O no hydrogen 2.951 N/A PHE 619.A N VAL 616.A O no hydrogen 3.026 N/A GLY 620.A N VAL 616.A O no hydrogen 2.821 N/A GLY 623.A N VAL 614.A O no hydrogen 2.909 N/A ILE 625.A N ILE 612.A O no hydrogen 2.698 N/A LEU 627.A N ASN 610.A O no hydrogen 2.883 N/A ASN 629.A N ARG 626.A O no hydrogen 3.080 N/A LEU 630.A N LEU 627.A O no hydrogen 2.845 N/A THR 631.A N LEU 627.A O no hydrogen 2.998 N/A THR 631.A OG1 GLU 632.A O no hydrogen 2.595 N/A THR 631.A OG1 ASP 633.A O no hydrogen 3.199 N/A THR 631.A OG1 VAL 649.A O no hydrogen 2.476 N/A SER 636.A OG ASP 633.A O no hydrogen 3.383 N/A SER 636.A OG ASP 633.A OD2 no hydrogen 2.645 N/A ALA 637.A N PRO 634.A O no hydrogen 3.330 N/A ALA 638.A N THR 647.A O no hydrogen 2.693 N/A ASP 640.A N LYS 645.A O no hydrogen 2.747 N/A VAL 642.A N ASP 640.A OD1 no hydrogen 3.252 N/A GLU 643.A N ASP 640.A OD1 no hydrogen 3.134 N/A LYS 645.A N ASP 640.A O no hydrogen 3.147 N/A LYS 645.A NZ GLU 643.A OE1 no hydrogen 2.853 N/A LEU 646.A N VAL 659.A O no hydrogen 2.900 N/A THR 647.A N ALA 638.A O no hydrogen 2.773 N/A THR 647.A OG1 ASP 658.A OD1 no hydrogen 2.623 N/A PHE 648.A N ARG 657.A O no hydrogen 2.956 N/A SER 653.A N PRO 650.A O no hydrogen 2.973 N/A SER 653.A OG PRO 650.A O no hydrogen 3.534 N/A SER 653.A OG LYS 655.A O no hydrogen 3.143 N/A ARG 657.A N PHE 648.A O no hydrogen 2.706 N/A ARG 657.A NH1 LEU 676.A O no hydrogen 3.546 N/A VAL 659.A N LEU 646.A O no hydrogen 2.834 N/A TYR 660.A N ASP 663.A OD2 no hydrogen 2.890 N/A VAL 661.A N TYR 644.A O no hydrogen 3.014 N/A PHE 662.A N VAL 604.A O no hydrogen 2.632 N/A ASP 663.A N TYR 660.A O no hydrogen 3.157 N/A VAL 665.A N GLY 602.A O no hydrogen 2.886 N/A VAL 667.A N GLU 600.A O no hydrogen 2.959 N/A GLN 668.A N ALA 674.A O no hydrogen 2.940 N/A ARG 670.A N ARG 672.A O no hydrogen 3.196 N/A ARG 672.A N ARG 670.A O no hydrogen 3.470 N/A ALA 674.A N GLN 668.A O no hydrogen 2.853 N/A LEU 676.A N GLU 666.A O no hydrogen 2.785 N/A