Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bf4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N SER 57.A OG no hydrogen 3.206 N/A GLN 6.A N ASP 3.A O no hydrogen 2.718 N/A GLN 6.A NE2 GLU 10.A OE2 no hydrogen 2.897 N/A VAL 7.A N ASP 3.A O no hydrogen 2.876 N/A VAL 8.A N ILE 4.A O no hydrogen 3.052 N/A THR 9.A N ALA 5.A O no hydrogen 3.247 N/A THR 9.A OG1 ALA 5.A O no hydrogen 2.564 N/A THR 9.A OG1 GLN 6.A O no hydrogen 2.898 N/A GLU 10.A N GLN 6.A O no hydrogen 2.865 N/A ASN 11.A N VAL 7.A O no hydrogen 3.252 N/A ASN 11.A N VAL 8.A O no hydrogen 3.145 N/A ASN 11.A ND2 VAL 7.A O no hydrogen 2.661 N/A ASN 12.A N THR 9.A O no hydrogen 2.942 N/A LYS 13.A N VAL 8.A O no hydrogen 3.158 N/A LYS 13.A NZ ASN 44.A OD1 no hydrogen 2.879 N/A LYS 13.A NZ VAL 45.A O no hydrogen 3.127 N/A LYS 13.A NZ ASP 293.A OD1 no hydrogen 3.469 N/A LYS 13.A NZ ASP 293.A OD2 no hydrogen 3.525 N/A ASN 14.A N ASN 44.A O no hydrogen 2.946 N/A TYR 15.A OH SER 66.A OG no hydrogen 2.371 N/A LEU 16.A N ILE 64.A O no hydrogen 3.135 N/A VAL 17.A N MET 46.A O no hydrogen 2.822 N/A LEU 18.A N SER 66.A O no hydrogen 2.830 N/A TYR 19.A N ALA 48.A O no hydrogen 3.227 N/A ALA 20.A N PHE 68.A O no hydrogen 2.791 N/A THR 23.A OG1 TYR 72.A OH no hydrogen 3.182 N/A ASP 28.A N GLY 24.A O no hydrogen 2.910 N/A TYR 29.A N THR 25.A O no hydrogen 3.133 N/A TYR 29.A OH ASP 147.A OD1 no hydrogen 2.542 N/A ALA 30.A N ALA 26.A O no hydrogen 2.953 N/A LYS 31.A N GLU 27.A O no hydrogen 2.897 N/A LYS 32.A N ASP 28.A O no hydrogen 2.858 N/A LYS 32.A NZ ASP 28.A OD1 no hydrogen 3.326 N/A LYS 32.A NZ ASP 28.A OD2 no hydrogen 2.964 N/A PHE 33.A N TYR 29.A O no hydrogen 2.882 N/A SER 34.A N ALA 30.A O no hydrogen 2.973 N/A LYS 35.A N LYS 31.A O no hydrogen 2.797 N/A LYS 35.A NZ GLN 177.A OE1 no hydrogen 3.344 N/A GLU 36.A N LYS 32.A O no hydrogen 3.096 N/A LEU 37.A N PHE 33.A O no hydrogen 2.834 N/A VAL 38.A N SER 34.A O no hydrogen 3.017 N/A VAL 38.A N LYS 35.A O no hydrogen 2.881 N/A ALA 39.A N LYS 35.A O no hydrogen 2.803 N/A LYS 40.A N GLU 36.A O no hydrogen 2.849 N/A LYS 40.A NZ GLU 36.A OE2 no hydrogen 2.794 N/A PHE 41.A N LEU 37.A O no hydrogen 3.270 N/A ASN 42.A N VAL 38.A O no hydrogen 2.779 N/A ASN 44.A ND2 ASN 11.A O no hydrogen 3.176 N/A ASN 44.A ND2 ASN 12.A O no hydrogen 2.704 N/A MET 46.A N TYR 15.A O no hydrogen 2.891 N/A CYS 47.A SG SER 34.A OG no hydrogen 3.303 N/A ALA 48.A N VAL 17.A O no hydrogen 3.063 N/A VAL 50.A N TYR 19.A O no hydrogen 3.107 N/A GLU 51.A N ASP 49.A OD2 no hydrogen 2.961 N/A ASN 52.A N ASP 49.A O no hydrogen 2.668 N/A ASP 54.A N ARG 2.A O no hydrogen 2.623 N/A SER 57.A OG ASP 3.A OD2 no hydrogen 2.385 N/A ASP 60.A N SER 57.A O no hydrogen 2.974 N/A VAL 61.A N LEU 58.A O no hydrogen 3.226 N/A VAL 65.A N ARG 100.A O no hydrogen 2.844 N/A SER 66.A N LEU 16.A O no hydrogen 2.917 N/A SER 66.A OG TYR 15.A OH no hydrogen 2.371 N/A SER 66.A OG ASN 102.A OD1 no hydrogen 2.631 N/A ILE 67.A N ASN 102.A O no hydrogen 2.785 N/A PHE 68.A N LEU 18.A O no hydrogen 2.969 N/A ILE 69.A N PHE 104.A O no hydrogen 3.118 N/A SER 70.A N ALA 20.A O no hydrogen 3.175 N/A SER 70.A OG ALA 20.A O no hydrogen 3.567 N/A THR 71.A N LEU 106.A O no hydrogen 3.041 N/A TYR 72.A N ASP 76.A O no hydrogen 2.889 N/A TYR 72.A OH THR 23.A OG1 no hydrogen 3.182 N/A GLY 75.A N GLU 74.A OE1 no hydrogen 3.374 N/A ASP 76.A N TYR 72.A O no hydrogen 3.343 N/A PHE 77.A N GLU 85.A OE2 no hydrogen 3.328 N/A GLU 85.A N ALA 81.A O no hydrogen 2.861 N/A ASP 86.A N VAL 82.A O no hydrogen 2.682 N/A PHE 87.A N ASN 83.A O no hydrogen 2.965 N/A ILE 88.A N PHE 84.A O no hydrogen 3.238 N/A CYS 89.A N GLU 85.A O no hydrogen 2.926 N/A ALA 91.A N ILE 88.A O no hydrogen 3.232 N/A ALA 95.A N GLU 92.A O no hydrogen 3.313 N/A LEU 96.A N ALA 128.A O no hydrogen 2.729 N/A ASN 98.A ND2 ASN 59.A O no hydrogen 3.159 N/A LEU 99.A N LEU 96.A O no hydrogen 3.196 N/A ARG 100.A NH2 PRO 62.A O no hydrogen 2.990 N/A TYR 101.A N ILE 131.A O no hydrogen 3.031 N/A ASN 102.A N VAL 65.A O no hydrogen 3.006 N/A ASN 102.A ND2 TYR 15.A OH no hydrogen 2.830 N/A PHE 104.A N ILE 67.A O no hydrogen 2.833 N/A GLY 105.A N GLY 137.A O no hydrogen 2.971 N/A LEU 106.A N ILE 69.A O no hydrogen 2.693 N/A GLY 107.A N ALA 139.A O no hydrogen 3.094 N/A SER 109.A N ASP 140.A OD1 no hydrogen 2.776 N/A SER 109.A OG ASP 140.A OD1 no hydrogen 2.856 N/A SER 109.A OG ASP 140.A OD2 no hydrogen 2.736 N/A THR 110.A N ASN 108.A OD1 no hydrogen 2.690 N/A TYR 111.A N ASN 108.A O no hydrogen 3.011 N/A TYR 111.A OH VAL 644.A O no hydrogen 3.334 N/A GLY 116.A N PHE 113.A O no hydrogen 3.229 N/A ALA 117.A N THR 71.A OG1 no hydrogen 3.164 N/A LYS 119.A N ASN 115.A O no hydrogen 3.171 N/A LYS 119.A NZ PHE 114.A O no hydrogen 2.900 N/A LYS 120.A N GLY 116.A O no hydrogen 2.677 N/A LYS 120.A NZ GLU 74.A OE1 no hydrogen 2.863 N/A ALA 121.A N ALA 117.A O no hydrogen 2.819 N/A GLU 122.A N ALA 118.A O no hydrogen 2.818 N/A GLU 122.A N LYS 119.A O no hydrogen 3.133 N/A LYS 123.A N LYS 119.A O no hydrogen 2.992 N/A LYS 123.A N LYS 120.A O no hydrogen 3.088 N/A HIS 124.A N LYS 120.A O no hydrogen 3.055 N/A LEU 125.A N ALA 121.A O no hydrogen 3.198 N/A SER 126.A N GLU 122.A O no hydrogen 3.368 N/A SER 126.A OG GLU 122.A O no hydrogen 3.340 N/A SER 126.A OG LYS 123.A O no hydrogen 2.994 N/A ALA 127.A N LYS 123.A O no hydrogen 3.242 N/A ALA 128.A N HIS 124.A O no hydrogen 2.998 N/A GLY 129.A N SER 126.A O no hydrogen 3.063 N/A ALA 130.A N LEU 125.A O no hydrogen 2.859 N/A ILE 131.A N LEU 99.A O no hydrogen 3.021 N/A ARG 132.A NE GLY 134.A O no hydrogen 3.186 N/A LEU 133.A N TYR 101.A O no hydrogen 2.558 N/A GLY 137.A N MET 103.A O no hydrogen 2.973 N/A ALA 139.A N GLY 105.A O no hydrogen 2.867 N/A ASP 140.A N ASP 149.A OD2 no hydrogen 2.843 N/A ASP 141.A N GLY 107.A O no hydrogen 2.915 N/A GLY 142.A N ASP 140.A OD1 no hydrogen 2.830 N/A ALA 143.A N ASP 140.A O no hydrogen 3.205 N/A GLY 144.A N ASP 141.A O no hydrogen 3.097 N/A THR 145.A N ASP 140.A O no hydrogen 3.257 N/A THR 145.A OG1 ASP 140.A O no hydrogen 3.344 N/A THR 145.A OG1 ASP 149.A OD1 no hydrogen 3.264 N/A THR 145.A OG1 ASP 149.A OD2 no hydrogen 2.548 N/A THR 146.A OG1 ASP 141.A OD1 no hydrogen 3.399 N/A ASP 149.A N THR 145.A O no hydrogen 2.626 N/A TYR 150.A N THR 146.A O no hydrogen 2.982 N/A MET 151.A N ASP 147.A O no hydrogen 2.966 N/A ALA 152.A N GLU 148.A O no hydrogen 2.871 N/A TRP 153.A N ASP 149.A O no hydrogen 3.017 N/A TRP 153.A NE1 LYS 135.A O no hydrogen 2.927 N/A LYS 154.A N TYR 150.A O no hydrogen 2.646 N/A LYS 154.A NZ ASP 155.A OD1 no hydrogen 3.514 N/A LYS 154.A NZ GLN 323.A OE1 no hydrogen 3.176 N/A ASP 155.A N MET 151.A O no hydrogen 3.069 N/A SER 156.A N ALA 152.A O no hydrogen 3.327 N/A SER 156.A OG TRP 153.A O no hydrogen 2.954 N/A ILE 157.A N TRP 153.A O no hydrogen 2.959 N/A LEU 158.A N LYS 154.A O no hydrogen 2.964 N/A GLU 159.A N SER 156.A O no hydrogen 3.192 N/A VAL 160.A N SER 156.A O no hydrogen 3.182 N/A LEU 161.A N ILE 157.A O no hydrogen 2.859 N/A LYS 162.A N LEU 158.A O no hydrogen 2.970 N/A LYS 162.A NZ GLU 169.A OE2 no hydrogen 3.149 N/A ASP 163.A N GLU 159.A O no hydrogen 3.114 N/A GLU 164.A N VAL 160.A O no hydrogen 2.835 N/A LEU 165.A N LEU 161.A O no hydrogen 2.964 N/A HIS 166.A N ASP 163.A O no hydrogen 2.591 N/A LEU 167.A N LYS 162.A O no hydrogen 2.987 N/A LYS 173.A N ALA 39.A O no hydrogen 3.422 N/A LYS 173.A NZ GLU 171.A OE1 no hydrogen 2.496 N/A SER 176.A OG PHE 178.A O no hydrogen 3.236 N/A SER 176.A OG GLN 381.A OE1 no hydrogen 3.284 N/A SER 176.A OG GLU 385.A OE2 no hydrogen 2.596 N/A GLN 177.A N GLU 385.A OE1 no hydrogen 3.153 N/A GLN 177.A N GLU 385.A OE2 no hydrogen 2.805 N/A PHE 178.A N SER 176.A OG no hydrogen 3.074 N/A GLN 179.A N LYS 290.A O no hydrogen 2.622 N/A THR 181.A N ASP 288.A O no hydrogen 3.115 N/A LEU 183.A N ILE 286.A O no hydrogen 2.825 N/A SER 191.A N PRO 303.A O no hydrogen 2.654 N/A SER 191.A OG GLU 194.A OE1 no hydrogen 3.044 N/A SER 191.A OG TYR 313.A OH no hydrogen 2.718 N/A LEU 192.A N GLU 194.A OE1 no hydrogen 2.973 N/A GLY 193.A N SER 191.A OG no hydrogen 2.751 N/A TYR 199.A N SER 196.A O no hydrogen 3.310 N/A TYR 199.A OH PRO 222.A O no hydrogen 2.812 N/A LEU 200.A N ALA 197.A O no hydrogen 2.958 N/A SER 202.A N ASP 188.A O no hydrogen 2.910 N/A SER 202.A OG ASP 188.A O no hydrogen 2.747 N/A HIS 203.A N LEU 200.A O no hydrogen 2.761 N/A GLN 204.A NE2 LEU 205.A O no hydrogen 3.641 N/A ARG 207.A NH1 GLY 211.A O no hydrogen 3.303 N/A ASN 208.A N ILE 212.A O no hydrogen 3.024 N/A ASP 210.A N ASN 208.A OD1 no hydrogen 2.858 N/A GLY 211.A N ASN 208.A O no hydrogen 2.628 N/A GLN 213.A N GLY 250.A O no hydrogen 2.964 N/A GLN 213.A NE2 TYR 199.A OH no hydrogen 2.598 N/A LEU 214.A N ASN 206.A O no hydrogen 2.835 N/A ASP 218.A N GLN 221.A O no hydrogen 3.104 N/A SER 220.A N ASP 218.A OD2 no hydrogen 3.074 N/A SER 220.A OG ASP 218.A OD2 no hydrogen 2.802 N/A GLN 221.A N ASP 218.A O no hydrogen 3.056 N/A GLN 221.A NE2 SER 196.A OG no hydrogen 2.783 N/A TYR 223.A N VAL 473.A O no hydrogen 2.727 N/A ILE 224.A N TYR 199.A OH no hydrogen 3.394 N/A ALA 225.A N LEU 471.A O no hydrogen 3.009 N/A ILE 227.A N TYR 469.A O no hydrogen 2.610 N/A SER 230.A OG GLN 443.A OE1 no hydrogen 2.741 N/A SER 230.A OG ASN 444.A OD1 no hydrogen 3.211 N/A ARG 231.A N HIS 243.A O no hydrogen 2.997 N/A ARG 231.A NH2 GLU 545.A OE2 no hydrogen 3.161 N/A LEU 233.A N CYS 241.A O no hydrogen 2.941 N/A PHE 234.A N GLU 232.A OE1 no hydrogen 2.703 N/A SER 235.A N ASP 538.A O no hydrogen 2.939 N/A SER 235.A OG ASP 538.A O no hydrogen 3.358 N/A ASP 238.A N SER 236.A OG no hydrogen 3.317 N/A ARG 239.A N SER 236.A OG no hydrogen 3.165 N/A ARG 239.A NH1 ASP 539.A OD2 no hydrogen 3.161 N/A ARG 239.A NH2 ASP 539.A OD2 no hydrogen 3.203 N/A CYS 241.A N GLU 232.A OE2 no hydrogen 3.096 N/A ILE 242.A N SER 412.A O no hydrogen 2.665 N/A HIS 243.A N ARG 231.A O no hydrogen 2.821 N/A HIS 243.A ND1 TYR 542.A OH no hydrogen 2.610 N/A HIS 243.A NE2 GLU 245.A OE2 no hydrogen 3.185 N/A SER 244.A N VAL 410.A O no hydrogen 2.857 N/A GLU 245.A N LYS 229.A O no hydrogen 2.902 N/A PHE 246.A N VAL 408.A O no hydrogen 2.862 N/A ASP 247.A N PRO 226.A O no hydrogen 3.024 N/A LEU 248.A N GLN 406.A O no hydrogen 2.728 N/A SER 249.A N ASP 247.A OD1 no hydrogen 3.055 N/A SER 249.A OG ASP 247.A OD1 no hydrogen 2.460 N/A SER 251.A N LEU 248.A O no hydrogen 2.968 N/A SER 251.A OG LEU 248.A O no hydrogen 2.703 N/A ASN 252.A N GLN 213.A O no hydrogen 3.287 N/A TYR 255.A OH SER 399.A OG no hydrogen 3.091 N/A TYR 255.A OH THR 407.A O no hydrogen 2.701 N/A SER 256.A N ASP 259.A OD2 no hydrogen 2.854 N/A THR 257.A OG1 GLU 508.A OE1 no hydrogen 2.728 N/A ASP 259.A N SER 256.A O no hydrogen 2.905 N/A HIS 260.A N ARG 476.A O no hydrogen 2.931 N/A HIS 260.A NE2 ASP 643.A OD1 no hydrogen 3.038 N/A HIS 260.A NE2 ASP 643.A OD2 no hydrogen 3.311 N/A LEU 261.A N TYR 395.A O no hydrogen 2.905 N/A ALA 262.A N HIS 474.A O no hydrogen 2.800 N/A VAL 263.A N ARG 393.A O no hydrogen 3.025 N/A TRP 264.A N PRO 472.A O no hydrogen 3.038 N/A TRP 264.A NE1 HIS 474.A ND1 no hydrogen 2.860 N/A ASN 267.A N LYS 311.A O no hydrogen 2.757 N/A LEU 269.A N HIS 456.A O no hydrogen 2.974 N/A LYS 271.A N PRO 268.A O no hydrogen 3.025 N/A VAL 272.A N PRO 268.A O no hydrogen 3.020 N/A GLU 273.A N LEU 269.A O no hydrogen 2.938 N/A PHE 275.A N LYS 271.A O no hydrogen 3.042 N/A LEU 276.A N VAL 272.A O no hydrogen 3.057 N/A SER 277.A N GLU 273.A O no hydrogen 2.944 N/A SER 277.A OG GLU 273.A O no hydrogen 2.860 N/A ILE 278.A N GLN 274.A O no hydrogen 3.099 N/A ASN 280.A N LEU 276.A O no hydrogen 3.030 N/A LEU 281.A N LEU 276.A O no hydrogen 2.993 N/A GLU 284.A N ASP 282.A OD1 no hydrogen 3.328 N/A THR 285.A N ASP 282.A O no hydrogen 3.055 N/A THR 285.A OG1 ASP 282.A O no hydrogen 3.125 N/A PHE 287.A N THR 304.A O no hydrogen 3.022 N/A ASP 288.A N THR 181.A O no hydrogen 2.797 N/A LYS 290.A N GLN 179.A O no hydrogen 3.207 N/A LEU 292.A N GLN 177.A O no hydrogen 2.977 N/A THR 295.A N ASP 293.A OD2 no hydrogen 2.726 N/A VAL 296.A N ASP 293.A O no hydrogen 2.951 N/A THR 302.A OG1 ASP 288.A OD1 no hydrogen 3.188 N/A THR 304.A N PHE 287.A O no hydrogen 3.104 N/A THR 304.A OG1 SER 191.A O no hydrogen 2.656 N/A ILE 306.A N THR 285.A O no hydrogen 2.988 N/A GLY 307.A N PRO 283.A O no hydrogen 3.087 N/A ALA 308.A N THR 305.A O no hydrogen 3.045 N/A ALA 308.A N THR 305.A OG1 no hydrogen 3.030 N/A ALA 309.A N THR 305.A O no hydrogen 3.065 N/A ILE 310.A N ILE 306.A O no hydrogen 2.970 N/A LYS 311.A N ALA 308.A O no hydrogen 3.327 N/A LYS 311.A NZ ASP 458.A OD2 no hydrogen 2.840 N/A HIS 312.A N ALA 308.A O no hydrogen 2.818 N/A TYR 313.A N ALA 309.A O no hydrogen 2.855 N/A TYR 313.A OH SER 191.A OG no hydrogen 2.718 N/A TYR 313.A OH GLU 194.A O no hydrogen 2.627 N/A LEU 314.A N ALA 309.A O no hydrogen 2.980 N/A GLU 315.A N PRO 388.A O no hydrogen 2.635 N/A ILE 316.A N LEU 314.A O no hydrogen 2.894 N/A GLY 318.A N ASN 361.A OD1 no hydrogen 2.933 N/A SER 321.A OG ASP 147.A OD1 no hydrogen 2.600 N/A SER 321.A OG ASP 147.A OD2 no hydrogen 3.211 N/A ARG 322.A N ASP 147.A OD2 no hydrogen 2.950 N/A ARG 322.A NE SER 345.A O no hydrogen 2.640 N/A ARG 322.A NH1 GLU 148.A OE2 no hydrogen 2.754 N/A ARG 322.A NH2 SER 345.A O no hydrogen 3.408 N/A GLN 323.A N SER 321.A OG no hydrogen 3.081 N/A LEU 324.A N SER 321.A O no hydrogen 3.115 N/A SER 326.A N ARG 322.A O no hydrogen 3.312 N/A SER 327.A N GLN 323.A O no hydrogen 2.961 N/A SER 327.A OG GLN 323.A O no hydrogen 3.396 N/A LEU 328.A N LEU 324.A O no hydrogen 2.879 N/A LEU 328.A N PHE 325.A O no hydrogen 2.972 N/A ILE 329.A N SER 326.A O no hydrogen 3.192 N/A PHE 331.A N LEU 328.A O no hydrogen 3.158 N/A ALA 332.A N ILE 329.A O no hydrogen 3.371 N/A LYS 338.A N ASN 334.A O no hydrogen 2.808 N/A GLU 339.A N ALA 335.A O no hydrogen 3.106 N/A GLU 339.A N ASP 336.A O no hydrogen 2.756 N/A LYS 340.A N ASP 336.A O no hydrogen 3.206 N/A LEU 341.A N VAL 337.A O no hydrogen 2.795 N/A THR 342.A N LYS 338.A O no hydrogen 3.002 N/A THR 342.A OG1 LYS 338.A O no hydrogen 2.697 N/A LEU 343.A N GLU 339.A O no hydrogen 2.915 N/A LEU 344.A N LYS 340.A O no hydrogen 3.000 N/A SER 345.A N LEU 341.A O no hydrogen 2.956 N/A SER 345.A OG THR 342.A O no hydrogen 2.813 N/A LYS 346.A N LEU 343.A O no hydrogen 2.933 N/A ASP 347.A N LEU 343.A O no hydrogen 2.865 N/A GLN 350.A N ASP 347.A OD2 no hydrogen 2.878 N/A GLN 350.A NE2 GLU 354.A OE2 no hydrogen 2.419 N/A PHE 351.A N ASP 347.A O no hydrogen 3.014 N/A ALA 352.A N LYS 348.A O no hydrogen 3.376 N/A VAL 353.A N ASP 349.A O no hydrogen 2.973 N/A GLU 354.A N GLN 350.A O no hydrogen 2.743 N/A ILE 355.A N PHE 351.A O no hydrogen 2.749 N/A THR 356.A N PHE 351.A O no hydrogen 3.229 N/A SER 357.A N ALA 352.A O no hydrogen 2.755 N/A SER 357.A OG ALA 352.A O no hydrogen 2.783 N/A LYS 358.A N ILE 355.A O no hydrogen 3.064 N/A LYS 358.A NZ GLU 354.A O no hydrogen 2.925 N/A TYR 359.A N THR 356.A O no hydrogen 2.823 N/A ASN 361.A N ASP 364.A OD2 no hydrogen 2.933 N/A ALA 365.A N ASN 361.A O no hydrogen 2.873 N/A LEU 366.A N ILE 362.A O no hydrogen 2.936 N/A LYS 367.A N ALA 363.A O no hydrogen 2.932 N/A TYR 368.A N ASP 364.A O no hydrogen 2.715 N/A TYR 368.A OH GLU 354.A OE1 no hydrogen 2.574 N/A LEU 369.A N ALA 365.A O no hydrogen 2.983 N/A SER 370.A N LEU 366.A O no hydrogen 2.876 N/A ASP 371.A N LYS 367.A O no hydrogen 3.050 N/A ALA 373.A N SER 370.A O no hydrogen 3.134 N/A LYS 374.A NZ SER 277.A O no hydrogen 3.184 N/A TRP 375.A N ILE 278.A O no hydrogen 2.699 N/A TRP 375.A NE1 LEU 366.A O no hydrogen 3.151 N/A THR 377.A OG1 ASP 376.A OD1 no hydrogen 3.497 N/A VAL 378.A N TRP 375.A O no hydrogen 3.280 N/A LEU 383.A N PRO 379.A O no hydrogen 2.965 N/A VAL 384.A N MET 380.A O no hydrogen 2.771 N/A GLU 385.A N GLN 381.A O no hydrogen 2.718 N/A SER 386.A OG PHE 382.A O no hydrogen 2.889 N/A VAL 387.A N LEU 383.A O no hydrogen 2.895 N/A MET 390.A N TYR 313.A O no hydrogen 2.882 N/A ARG 393.A N VAL 263.A O no hydrogen 3.374 N/A ARG 393.A NH1 GLU 315.A OE2 no hydrogen 2.471 N/A ARG 393.A NH1 THR 391.A O no hydrogen 2.756 N/A ARG 393.A NH2 GLU 315.A OE2 no hydrogen 2.679 N/A TYR 395.A N LEU 261.A O no hydrogen 2.819 N/A SER 396.A OG ASP 643.A OD2 no hydrogen 3.119 N/A ILE 397.A N ASP 259.A O no hydrogen 3.217 N/A SER 398.A N HIS 409.A O no hydrogen 2.824 N/A SER 398.A OG THR 411.A OG1 no hydrogen 2.855 N/A SER 399.A OG TYR 255.A OH no hydrogen 3.091 N/A SER 400.A N GLU 404.A OE1 no hydrogen 2.675 N/A SER 400.A OG GLU 508.A OE1 no hydrogen 2.222 N/A SER 401.A N THR 257.A OG1 no hydrogen 2.925 N/A LEU 402.A N SER 400.A OG no hydrogen 3.294 N/A LEU 402.A N GLU 508.A OE1 no hydrogen 2.946 N/A SER 403.A N SER 400.A OG no hydrogen 3.364 N/A SER 403.A OG GLU 404.A OE1 no hydrogen 3.278 N/A SER 403.A OG GLU 404.A OE2 no hydrogen 2.887 N/A THR 407.A N GLU 404.A O no hydrogen 2.435 N/A VAL 408.A N PHE 246.A O no hydrogen 2.892 N/A HIS 409.A N SER 399.A OG no hydrogen 2.964 N/A VAL 410.A N SER 244.A O no hydrogen 2.717 N/A THR 411.A OG1 SER 398.A OG no hydrogen 2.855 N/A THR 411.A OG1 TYR 542.A OH no hydrogen 2.594 N/A SER 412.A N ILE 242.A O no hydrogen 2.990 N/A VAL 414.A N ASN 240.A O no hydrogen 2.809 N/A GLU 415.A N THR 433.A OG1 no hydrogen 2.897 N/A PHE 417.A N VAL 428.A O no hydrogen 2.883 N/A ASN 419.A ND2 LYS 358.A O no hydrogen 2.775 N/A GLU 421.A N ASN 419.A OD1 no hydrogen 2.545 N/A LEU 422.A N ASN 419.A OD1 no hydrogen 2.555 N/A VAL 428.A N PHE 417.A O no hydrogen 2.671 N/A GLY 430.A N GLU 415.A O no hydrogen 2.932 N/A ASN 434.A N GLY 430.A O no hydrogen 3.290 N/A ASN 434.A ND2 GLU 415.A O no hydrogen 2.939 N/A ASN 434.A ND2 GLY 430.A O no hydrogen 2.734 N/A LEU 435.A N VAL 431.A O no hydrogen 2.853 N/A LEU 436.A N THR 432.A O no hydrogen 2.707 N/A ARG 437.A N THR 433.A O no hydrogen 3.032 N/A ARG 437.A NH2 ASN 452.A OD1 no hydrogen 3.289 N/A ASN 438.A N ASN 434.A O no hydrogen 2.809 N/A ILE 439.A N LEU 435.A O no hydrogen 2.998 N/A GLN 440.A N LEU 436.A O no hydrogen 3.044 N/A LEU 441.A N ARG 437.A O no hydrogen 2.841 N/A ALA 442.A N ASN 438.A O no hydrogen 2.872 N/A GLN 443.A N ILE 439.A O no hydrogen 2.787 N/A GLN 443.A NE2 ILE 227.A O no hydrogen 2.300 N/A ASN 444.A N GLN 440.A O no hydrogen 3.167 N/A ASN 444.A N LEU 441.A O no hydrogen 3.078 N/A ASN 444.A ND2 SER 230.A O no hydrogen 3.597 N/A ASN 445.A N ALA 442.A O no hydrogen 2.540 N/A VAL 446.A N LEU 441.A O no hydrogen 3.038 N/A GLU 450.A N ASN 447.A O no hydrogen 2.975 N/A THR 451.A OG1 ILE 448.A O no hydrogen 2.506 N/A HIS 456.A N GLU 270.A OE2 no hydrogen 2.664 N/A HIS 456.A ND1 GLU 270.A OE1 no hydrogen 3.139 N/A ASN 460.A N ASP 458.A OD1 no hydrogen 3.024 N/A GLY 461.A N ASP 458.A OD1 no hydrogen 2.907 N/A ARG 463.A NH1 MET 190.A O no hydrogen 3.033 N/A ARG 463.A NH1 GLU 194.A OE2 no hydrogen 3.153 N/A ARG 463.A NH2 MET 190.A O no hydrogen 2.671 N/A LEU 465.A N PRO 462.A O no hydrogen 2.640 N/A LEU 471.A N ALA 225.A O no hydrogen 2.897 N/A HIS 474.A N ALA 262.A O no hydrogen 3.146 N/A ARG 476.A N HIS 260.A O no hydrogen 2.651 N/A ARG 476.A NH1 ARG 477.A O no hydrogen 3.004 N/A SER 478.A N ASP 259.A OD1 no hydrogen 2.793 N/A SER 478.A OG GLY 258.A O no hydrogen 2.398 N/A SER 478.A OG ASP 259.A OD1 no hydrogen 3.464 N/A ARG 481.A N GLN 641.A OE1 no hydrogen 3.107 N/A ARG 481.A NH1 PHE 480.A O no hydrogen 2.567 N/A ARG 481.A NH2 ASP 259.A OD1 no hydrogen 2.440 N/A SER 487.A N ASN 485.A OD1 no hydrogen 3.158 N/A SER 487.A OG SER 524.A O no hydrogen 3.401 N/A THR 488.A N ASN 485.A O no hydrogen 3.049 N/A THR 488.A OG1 ASN 485.A O no hydrogen 3.446 N/A VAL 490.A N LYS 527.A O no hydrogen 2.713 N/A ILE 491.A N PHE 594.A O no hydrogen 2.775 N/A MET 492.A N ILE 529.A O no hydrogen 2.919 N/A ILE 493.A N TYR 596.A O no hydrogen 2.741 N/A GLY 494.A N PHE 531.A O no hydrogen 3.109 N/A GLY 496.A N GLY 533.A O no hydrogen 2.783 N/A GLY 498.A N PRO 495.A O no hydrogen 2.881 N/A VAL 499.A N GLY 496.A O no hydrogen 3.138 N/A ALA 500.A N THR 497.A O no hydrogen 2.989 N/A ARG 503.A N VAL 499.A O no hydrogen 2.958 N/A ARG 503.A N ALA 500.A O no hydrogen 3.109 N/A ARG 503.A NE GLU 545.A OE1 no hydrogen 2.985 N/A ARG 503.A NH1 SER 398.A O no hydrogen 2.862 N/A ARG 503.A NH2 GLU 545.A OE2 no hydrogen 3.141 N/A GLY 504.A N ALA 500.A O no hydrogen 3.363 N/A PHE 505.A N PRO 501.A O no hydrogen 2.768 N/A ILE 506.A N PHE 502.A O no hydrogen 2.859 N/A ARG 507.A N ARG 503.A O no hydrogen 2.809 N/A GLU 508.A N GLY 504.A O no hydrogen 2.698 N/A ARG 509.A N PHE 505.A O no hydrogen 3.003 N/A ARG 509.A NH2 PRO 483.A O no hydrogen 3.297 N/A VAL 510.A N ILE 506.A O no hydrogen 2.719 N/A ALA 511.A N ARG 507.A O no hydrogen 2.880 N/A PHE 512.A N GLU 508.A O no hydrogen 2.896 N/A LEU 513.A N ARG 509.A O no hydrogen 2.978 N/A GLU 514.A N VAL 510.A O no hydrogen 3.262 N/A GLU 514.A N ALA 511.A O no hydrogen 2.693 N/A SER 515.A N ALA 511.A O no hydrogen 3.357 N/A GLN 516.A N PHE 512.A O no hydrogen 3.178 N/A GLN 516.A NE2 PHE 512.A O no hydrogen 3.409 N/A LYS 517.A N GLU 514.A O no hydrogen 2.605 N/A LYS 518.A N SER 515.A O no hydrogen 2.880 N/A GLY 519.A N GLN 516.A O no hydrogen 3.332 N/A ASN 521.A N GLY 519.A O no hydrogen 2.620 N/A GLY 526.A N PRO 486.A O no hydrogen 2.938 N/A LYS 527.A NZ GLU 558.A OE2 no hydrogen 2.830 N/A HIS 528.A N SER 556.A O no hydrogen 2.657 N/A ILE 529.A N VAL 490.A O no hydrogen 3.003 N/A LEU 530.A N GLU 558.A O no hydrogen 2.792 N/A PHE 531.A N MET 492.A O no hydrogen 2.828 N/A TYR 532.A N VAL 560.A O no hydrogen 3.097 N/A TYR 532.A OH ASP 539.A O no hydrogen 2.959 N/A SER 534.A N ALA 562.A O no hydrogen 3.015 N/A SER 534.A OG ASN 536.A O no hydrogen 3.292 N/A SER 534.A OG ASP 539.A OD1 no hydrogen 3.103 N/A SER 534.A OG HIS 563.A ND1 no hydrogen 3.011 N/A ARG 535.A N ASP 539.A OD2 no hydrogen 2.842 N/A ASN 536.A N ASP 539.A OD1 no hydrogen 3.047 N/A LEU 541.A N TYR 532.A OH no hydrogen 2.939 N/A TYR 542.A OH HIS 243.A ND1 no hydrogen 2.610 N/A TYR 542.A OH THR 411.A OG1 no hydrogen 2.594 N/A GLN 543.A N PHE 540.A O no hydrogen 3.266 N/A GLU 545.A N TYR 542.A O no hydrogen 2.860 N/A TRP 546.A NE1 LEU 541.A O no hydrogen 2.926 N/A GLU 548.A N GLU 545.A O no hydrogen 2.753 N/A TYR 549.A N GLU 545.A O no hydrogen 3.031 N/A TYR 549.A OH GLU 545.A OE1 no hydrogen 2.443 N/A ALA 550.A N TRP 546.A O no hydrogen 2.850 N/A LYS 551.A N PRO 547.A O no hydrogen 3.106 N/A LYS 552.A N GLU 548.A O no hydrogen 3.169 N/A LEU 553.A N TYR 549.A O no hydrogen 2.919 N/A LEU 553.A N ALA 550.A O no hydrogen 3.289 N/A SER 556.A N LEU 553.A O no hydrogen 3.032 N/A SER 556.A N ASP 554.A OD1 no hydrogen 2.713 N/A SER 556.A OG LEU 525.A O no hydrogen 3.501 N/A SER 556.A OG LEU 553.A O no hydrogen 3.089 N/A SER 556.A OG ASP 554.A OD1 no hydrogen 3.312 N/A PHE 557.A N ASP 554.A O no hydrogen 2.911 N/A GLU 558.A N HIS 528.A O no hydrogen 3.058 N/A VAL 560.A N LEU 530.A O no hydrogen 2.668 N/A ALA 562.A N TYR 532.A O no hydrogen 2.980 N/A HIS 563.A ND1 SER 534.A O no hydrogen 2.992 N/A SER 564.A N SER 534.A O no hydrogen 3.040 N/A ARG 565.A N ARG 535.A O no hydrogen 2.814 N/A THR 569.A OG1 LEU 566.A O no hydrogen 3.175 N/A THR 569.A OG1 PRO 567.A O no hydrogen 3.249 N/A LYS 571.A NZ SER 564.A O no hydrogen 3.147 N/A VAL 572.A N HIS 563.A O no hydrogen 3.263 N/A TYR 573.A N ASP 576.A OD2 no hydrogen 2.420 N/A ASP 576.A N TYR 573.A O no hydrogen 3.006 N/A LYS 577.A N TYR 573.A O no hydrogen 3.159 N/A LEU 578.A N VAL 574.A O no hydrogen 2.827 N/A LYS 579.A N GLN 575.A O no hydrogen 3.198 N/A LYS 579.A N ASP 576.A O no hydrogen 3.225 N/A ASP 580.A N ASP 576.A O no hydrogen 3.222 N/A TYR 581.A N LYS 577.A O no hydrogen 3.169 N/A GLU 582.A N LYS 579.A O no hydrogen 3.185 N/A GLN 584.A NE2 GLU 558.A OE2 no hydrogen 2.953 N/A VAL 585.A N TYR 581.A O no hydrogen 2.856 N/A PHE 586.A N GLU 582.A O no hydrogen 2.688 N/A GLU 587.A N ASP 583.A O no hydrogen 2.883 N/A MET 588.A N GLN 584.A O no hydrogen 2.915 N/A ILE 589.A N VAL 585.A O no hydrogen 3.003 N/A ASN 590.A N PHE 586.A O no hydrogen 2.999 N/A ASN 590.A ND2 PHE 586.A O no hydrogen 2.625 N/A ASN 591.A N MET 588.A O no hydrogen 2.879 N/A GLY 592.A N ILE 589.A O no hydrogen 3.194 N/A ALA 593.A N MET 588.A O no hydrogen 3.201 N/A PHE 594.A N PRO 489.A O no hydrogen 2.919 N/A ILE 595.A N ARG 639.A O no hydrogen 2.603 N/A TYR 596.A N ILE 491.A O no hydrogen 2.670 N/A TYR 596.A OH ARG 481.A O no hydrogen 2.512 N/A VAL 597.A N GLN 641.A O no hydrogen 2.955 N/A CYS 598.A N ILE 493.A O no hydrogen 2.859 N/A CYS 598.A SG GLY 498.A O no hydrogen 3.244 N/A CYS 598.A SG ASP 643.A O no hydrogen 3.331 N/A CYS 598.A SG ASP 643.A OD2 no hydrogen 3.699 N/A GLY 599.A N ASP 643.A O no hydrogen 3.083 N/A GLY 607.A N GLY 603.A O no hydrogen 2.832 N/A VAL 608.A N MET 604.A O no hydrogen 2.749 N/A SER 609.A N ALA 605.A O no hydrogen 2.973 N/A THR 610.A N LYS 606.A O no hydrogen 2.619 N/A THR 610.A OG1 LYS 606.A O no hydrogen 3.181 N/A ALA 611.A N GLY 607.A O no hydrogen 2.902 N/A LEU 612.A N VAL 608.A O no hydrogen 3.026 N/A VAL 613.A N SER 609.A O no hydrogen 2.969 N/A GLY 614.A N THR 610.A O no hydrogen 3.041 N/A ILE 615.A N ALA 611.A O no hydrogen 2.897 N/A LEU 616.A N LEU 612.A O no hydrogen 2.754 N/A SER 617.A N VAL 613.A O no hydrogen 2.770 N/A SER 617.A OG ILE 622.A O no hydrogen 2.774 N/A ARG 618.A N GLY 614.A O no hydrogen 2.734 N/A GLY 619.A N ILE 615.A O no hydrogen 2.746 N/A LYS 620.A N LEU 616.A O no hydrogen 2.918 N/A SER 621.A N ARG 618.A O no hydrogen 2.914 N/A ILE 622.A N SER 617.A O no hydrogen 3.021 N/A ALA 627.A N THR 623.A O no hydrogen 3.075 N/A THR 628.A N THR 624.A O no hydrogen 2.793 N/A THR 628.A OG1 THR 624.A O no hydrogen 2.876 N/A GLU 629.A N ASP 625.A O no hydrogen 2.905 N/A LEU 630.A N GLU 626.A O no hydrogen 2.905 N/A ILE 631.A N ALA 627.A O no hydrogen 2.968 N/A LYS 632.A N THR 628.A O no hydrogen 3.004 N/A MET 633.A N GLU 629.A O no hydrogen 3.086 N/A LEU 634.A N LEU 630.A O no hydrogen 3.135 N/A LYS 635.A N ILE 631.A O no hydrogen 3.179 N/A LYS 635.A N LYS 632.A O no hydrogen 3.218 N/A LYS 635.A NZ GLU 112.A OE1 no hydrogen 3.072 N/A LYS 635.A NZ SER 609.A OG no hydrogen 3.158 N/A THR 636.A N LYS 632.A O no hydrogen 2.907 N/A THR 636.A OG1 LYS 632.A O no hydrogen 3.127 N/A SER 637.A N MET 633.A O no hydrogen 2.767 N/A SER 637.A OG MET 633.A O no hydrogen 3.381 N/A SER 637.A OG LEU 634.A O no hydrogen 3.391 N/A GLY 638.A N LEU 634.A O no hydrogen 3.264 N/A ARG 639.A NE ALA 593.A O no hydrogen 3.013 N/A ARG 639.A NH2 ILE 589.A O no hydrogen 2.841 N/A ARG 639.A NH2 ALA 593.A O no hydrogen 2.775 N/A TYR 640.A N LEU 634.A O no hydrogen 2.736 N/A GLN 641.A N ILE 595.A O no hydrogen 2.818 N/A GLN 641.A NE2 ARG 481.A O no hydrogen 3.562 N/A GLN 641.A NE2 GLY 638.A O no hydrogen 3.029 N/A ASP 643.A N VAL 597.A O no hydrogen 2.668 N/A TRP 645.A N GLY 599.A O no hydrogen 3.063 N/A