Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cdg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N HIS 3.A O no hydrogen 2.988 N/A GLN 7.A N GLU 4.A O no hydrogen 3.202 N/A SER 10.A N SER 8.A OG no hydrogen 3.123 N/A SER 10.A OG SER 8.A OG no hydrogen 3.054 N/A HIS 13.A NE2 ASN 39.A OD1 no hydrogen 2.838 N/A THR 14.A N PHE 11.A O no hydrogen 3.289 N/A THR 14.A OG1 PHE 11.A O no hydrogen 3.046 N/A MET 17.A N HIS 13.A O no hydrogen 2.703 N/A MET 18.A N THR 14.A O no hydrogen 3.062 N/A ILE 20.A N GLU 16.A O no hydrogen 3.254 N/A PHE 21.A N MET 17.A O no hydrogen 3.057 N/A HIS 22.A N MET 18.A O no hydrogen 2.972 N/A LYS 23.A N LYS 19.A O no hydrogen 2.963 N/A LYS 24.A N ILE 20.A O no hydrogen 3.094 N/A LYS 24.A NZ ASP 604.A OD1 no hydrogen 2.808 N/A PHE 25.A N ILE 20.A O no hydrogen 3.067 N/A LEU 27.A N PHE 21.A O no hydrogen 3.165 N/A HIS 28.A ND1 ASP 599.A OD1 no hydrogen 2.824 N/A ARG 31.A N GLN 34.A OE1 no hydrogen 2.866 N/A ARG 31.A NH1 GLY 55.A O no hydrogen 3.171 N/A GLN 34.A N ARG 31.A O no hydrogen 3.143 N/A GLN 34.A NE2 GLY 56.A O no hydrogen 2.718 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.477 N/A ALA 37.A N ASN 33.A O no hydrogen 3.316 N/A ILE 38.A N GLN 34.A O no hydrogen 2.906 N/A ASN 39.A N LEU 35.A O no hydrogen 2.956 N/A ASN 39.A ND2 PHE 6.A O no hydrogen 2.751 N/A ASN 39.A ND2 SER 8.A O no hydrogen 3.341 N/A ALA 40.A N GLU 36.A O no hydrogen 3.071 N/A ALA 41.A N ALA 37.A O no hydrogen 2.979 N/A LEU 42.A N ILE 38.A O no hydrogen 2.987 N/A LEU 43.A N ALA 40.A O no hydrogen 3.039 N/A GLY 44.A N ALA 41.A O no hydrogen 3.087 N/A GLU 45.A N ALA 40.A O no hydrogen 3.136 N/A CYS 47.A SG ALA 37.A O no hydrogen 3.858 N/A CYS 47.A SG GLU 45.A O no hydrogen 3.715 N/A PHE 48.A N GLN 213.A O no hydrogen 2.774 N/A ILE 49.A N ALA 190.A O no hydrogen 2.762 N/A LEU 50.A N PHE 215.A O no hydrogen 2.927 N/A MET 51.A N THR 192.A O no hydrogen 3.462 N/A GLY 55.A N PRO 52.A O no hydrogen 2.984 N/A LYS 57.A NZ MET 51.A O no hydrogen 2.568 N/A CYS 60.A N LYS 57.A O no hydrogen 3.018 N/A CYS 60.A SG GLY 56.A O no hydrogen 3.542 N/A TYR 61.A N SER 58.A O no hydrogen 3.166 N/A TYR 61.A OH TYR 126.A OH no hydrogen 3.363 N/A GLN 62.A N SER 58.A O no hydrogen 2.856 N/A GLN 62.A NE2 GLN 85.A OE1 no hydrogen 2.569 N/A GLN 62.A NE2 TYR 126.A OH no hydrogen 3.048 N/A LEU 63.A N LEU 59.A O no hydrogen 3.316 N/A ALA 65.A N TYR 61.A O no hydrogen 3.176 N/A CYS 66.A N GLN 62.A O no hydrogen 3.325 N/A CYS 66.A N LEU 63.A O no hydrogen 3.257 N/A CYS 66.A SG GLN 62.A O no hydrogen 3.384 N/A VAL 67.A N PRO 64.A O no hydrogen 3.148 N/A SER 68.A OG PRO 64.A O no hydrogen 2.720 N/A SER 68.A OG VAL 67.A O no hydrogen 2.793 N/A VAL 71.A N LEU 150.A O no hydrogen 2.901 N/A THR 72.A N LYS 123.A O no hydrogen 2.581 N/A VAL 73.A N ARG 153.A O no hydrogen 3.162 N/A VAL 74.A N LEU 125.A O no hydrogen 3.027 N/A ILE 75.A N VAL 155.A O no hydrogen 2.806 N/A SER 76.A N VAL 127.A O no hydrogen 2.925 N/A ILE 82.A N LEU 78.A O no hydrogen 3.123 N/A VAL 83.A N ARG 79.A O no hydrogen 2.659 N/A ASP 84.A N SER 80.A O no hydrogen 3.227 N/A GLN 85.A N LEU 81.A O no hydrogen 3.209 N/A VAL 86.A N ILE 82.A O no hydrogen 3.027 N/A GLN 87.A N VAL 83.A O no hydrogen 3.007 N/A LYS 88.A N ASP 84.A O no hydrogen 3.048 N/A LYS 88.A NZ GLN 62.A OE1 no hydrogen 3.378 N/A LEU 89.A N GLN 85.A O no hydrogen 2.897 N/A THR 90.A N VAL 86.A O no hydrogen 2.940 N/A THR 90.A OG1 VAL 86.A O no hydrogen 3.138 N/A THR 90.A OG1 GLN 87.A O no hydrogen 3.393 N/A SER 91.A N GLN 87.A O no hydrogen 3.261 N/A SER 91.A OG ASN 574.A O no hydrogen 2.875 N/A SER 91.A OG TYR 609.A OH no hydrogen 3.254 N/A LEU 92.A N LEU 89.A O no hydrogen 2.886 N/A ASP 93.A N THR 90.A O no hydrogen 3.249 N/A ILE 94.A N LEU 89.A O no hydrogen 2.885 N/A THR 97.A N LEU 124.A O no hydrogen 3.291 N/A TYR 98.A N THR 97.A OG1 no hydrogen 2.476 N/A LEU 99.A N TYR 126.A O no hydrogen 3.315 N/A ALA 108.A N THR 104.A O no hydrogen 2.711 N/A THR 109.A N ASP 105.A O no hydrogen 2.837 N/A THR 109.A OG1 ASP 105.A O no hydrogen 2.526 N/A ASN 110.A N SER 106.A O no hydrogen 3.257 N/A ILE 111.A N GLU 107.A O no hydrogen 3.176 N/A ILE 111.A N ALA 108.A O no hydrogen 3.163 N/A TYR 112.A N ALA 108.A O no hydrogen 3.270 N/A LEU 113.A N THR 109.A O no hydrogen 2.804 N/A GLN 114.A N ASN 110.A O no hydrogen 3.282 N/A LEU 115.A N ILE 111.A O no hydrogen 3.102 N/A SER 116.A N TYR 112.A O no hydrogen 3.101 N/A SER 116.A OG TYR 112.A O no hydrogen 2.822 N/A SER 116.A OG LEU 113.A O no hydrogen 2.514 N/A LYS 117.A N LEU 113.A O no hydrogen 3.262 N/A LYS 123.A N PRO 95.A O no hydrogen 3.131 N/A LEU 125.A N THR 72.A O no hydrogen 2.734 N/A TYR 126.A N THR 97.A O no hydrogen 2.846 N/A TYR 126.A OH TYR 61.A OH no hydrogen 3.363 N/A VAL 127.A N VAL 74.A O no hydrogen 2.782 N/A THR 128.A OG1 THR 100.A O no hydrogen 3.519 N/A THR 128.A OG1 GLU 130.A OE1 no hydrogen 3.240 N/A THR 128.A OG1 GLU 130.A OE2 no hydrogen 2.863 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.574 N/A CYS 133.A N PRO 129.A O no hydrogen 3.360 N/A ALA 134.A N GLU 130.A O no hydrogen 2.644 N/A SER 135.A N LYS 131.A O no hydrogen 2.661 N/A ASN 136.A ND2 ALA 134.A O no hydrogen 3.638 N/A ARG 137.A N SER 135.A OG no hydrogen 3.184 N/A LEU 138.A N SER 135.A OG no hydrogen 3.343 N/A SER 140.A OG ASN 136.A O no hydrogen 3.566 N/A THR 141.A N LEU 138.A O no hydrogen 3.080 N/A THR 141.A OG1 ARG 137.A O no hydrogen 3.376 N/A LEU 142.A N LEU 138.A O no hydrogen 3.141 N/A GLU 143.A N ILE 139.A O no hydrogen 2.976 N/A ASN 144.A N THR 141.A O no hydrogen 2.965 N/A LEU 145.A N THR 141.A O no hydrogen 3.297 N/A TYR 146.A N LEU 142.A O no hydrogen 2.840 N/A GLU 147.A N GLU 143.A O no hydrogen 3.097 N/A ARG 148.A N ASN 144.A O no hydrogen 3.423 N/A LYS 149.A N TYR 146.A O no hydrogen 3.071 N/A LEU 150.A N LEU 145.A O no hydrogen 2.634 N/A ALA 152.A N VAL 71.A O no hydrogen 3.138 N/A ARG 153.A NH2 GLU 45.A O no hydrogen 3.029 N/A PHE 154.A N PRO 187.A O no hydrogen 2.811 N/A VAL 155.A N VAL 73.A O no hydrogen 3.000 N/A ILE 156.A N MET 189.A O no hydrogen 2.551 N/A ASP 157.A N ILE 75.A O no hydrogen 3.003 N/A ALA 159.A N LEU 191.A O no hydrogen 2.825 N/A HIS 160.A ND1 THR 192.A OG1 no hydrogen 2.900 N/A CYS 161.A N GLU 158.A O no hydrogen 3.004 N/A CYS 161.A SG GLU 158.A O no hydrogen 3.306 N/A CYS 161.A SG ASP 168.A O no hydrogen 3.485 N/A CYS 161.A SG ASP 168.A OD2 no hydrogen 3.819 N/A VAL 162.A N ALA 159.A O no hydrogen 3.372 N/A SER 163.A OG ASP 202.A OD2 no hydrogen 2.478 N/A TRP 165.A N SER 163.A OG no hydrogen 3.151 N/A GLY 166.A N SER 163.A O no hydrogen 3.209 N/A ARG 170.A N CYS 161.A O no hydrogen 2.780 N/A ARG 170.A NE ASP 168.A OD2 no hydrogen 2.996 N/A ARG 170.A NH2 ASP 168.A OD2 no hydrogen 2.818 N/A TYR 173.A N ARG 170.A O no hydrogen 3.279 N/A TYR 173.A OH ASP 157.A O no hydrogen 3.144 N/A LYS 174.A N GLN 171.A O no hydrogen 3.101 N/A ARG 175.A N ASP 172.A O no hydrogen 3.165 N/A MET 176.A N TYR 173.A O no hydrogen 3.336 N/A ASN 177.A ND2 GLN 206.A O no hydrogen 2.940 N/A LEU 179.A N MET 176.A O no hydrogen 3.003 N/A ARG 180.A N ASN 177.A O no hydrogen 3.298 N/A VAL 186.A N PHE 183.A O no hydrogen 3.397 N/A VAL 188.A N ASP 46.A OD1 no hydrogen 3.431 N/A MET 189.A N PHE 154.A O no hydrogen 2.749 N/A ALA 190.A N CYS 47.A O no hydrogen 3.122 N/A LEU 191.A N ILE 156.A O no hydrogen 3.023 N/A THR 192.A N ILE 49.A O no hydrogen 3.217 N/A THR 192.A OG1 HIS 160.A ND1 no hydrogen 2.900 N/A THR 194.A N THR 192.A OG1 no hydrogen 3.090 N/A THR 194.A OG1 THR 192.A OG1 no hydrogen 3.103 N/A ARG 198.A N ASN 196.A OD1 no hydrogen 3.036 N/A VAL 199.A N ASN 196.A O no hydrogen 3.085 N/A GLN 200.A N ASN 196.A O no hydrogen 2.902 N/A GLN 200.A NE2 THR 194.A O no hydrogen 2.644 N/A LYS 201.A N PRO 197.A O no hydrogen 2.939 N/A ILE 203.A N VAL 199.A O no hydrogen 3.104 N/A LEU 204.A N LYS 201.A O no hydrogen 3.248 N/A THR 205.A N LYS 201.A O no hydrogen 3.388 N/A THR 205.A OG1 ASP 202.A O no hydrogen 2.756 N/A GLN 206.A N ASP 202.A O no hydrogen 2.843 N/A GLN 206.A NE2 ASP 202.A OD1 no hydrogen 3.199 N/A LEU 207.A N ILE 203.A O no hydrogen 2.889 N/A LYS 208.A NZ GLN 206.A O no hydrogen 3.172 N/A ILE 209.A N LEU 204.A O no hydrogen 3.160 N/A GLN 213.A N ASP 46.A O no hydrogen 2.700 N/A PHE 215.A N PHE 48.A O no hydrogen 2.935 N/A MET 217.A N SER 216.A OG no hydrogen 2.576 N/A SER 218.A OG GLU 398.A OE2 no hydrogen 2.644 N/A PHE 219.A N GLU 398.A OE1 no hydrogen 3.264 N/A ARG 221.A NH1 ALA 342.A O no hydrogen 3.264 N/A ASN 223.A ND2 GLY 343.A O no hydrogen 2.699 N/A ASN 223.A ND2 GLU 347.A O no hydrogen 2.791 N/A LEU 224.A N ARG 221.A O no hydrogen 3.250 N/A LYS 225.A N SER 349.A O no hydrogen 2.780 N/A LYS 225.A NZ TYR 227.A OH no hydrogen 3.079 N/A TYR 227.A N CYS 351.A O no hydrogen 2.721 N/A VAL 228.A N ASP 415.A OD2 no hydrogen 2.780 N/A LEU 229.A N LEU 353.A O no hydrogen 2.873 N/A LYS 231.A N TYR 355.A O no hydrogen 3.062 N/A LYS 231.A NZ ALA 326.A O no hydrogen 3.457 N/A LYS 231.A NZ ASP 359.A OD1 no hydrogen 3.133 N/A LYS 231.A NZ ASP 359.A OD2 no hydrogen 3.266 N/A LYS 235.A N LYS 232.A O no hydrogen 3.300 N/A ASP 239.A N LYS 235.A O no hydrogen 3.137 N/A CYS 240.A N VAL 236.A O no hydrogen 2.909 N/A CYS 240.A SG VAL 236.A O no hydrogen 3.461 N/A LEU 241.A N ALA 237.A O no hydrogen 2.947 N/A GLU 242.A N PHE 238.A O no hydrogen 2.848 N/A TRP 243.A N ASP 239.A O no hydrogen 2.879 N/A ILE 244.A N CYS 240.A O no hydrogen 2.907 N/A ARG 245.A N LEU 241.A O no hydrogen 3.209 N/A ARG 245.A NH2 ASP 273.A O no hydrogen 2.876 N/A LYS 246.A N GLU 242.A O no hydrogen 3.226 N/A LYS 246.A N TRP 243.A O no hydrogen 3.142 N/A HIS 247.A N TRP 243.A O no hydrogen 2.905 N/A HIS 248.A N ILE 244.A O no hydrogen 2.700 N/A HIS 248.A ND1 ASP 251.A OD2 no hydrogen 3.127 N/A GLY 253.A N GLN 303.A O no hydrogen 3.063 N/A ILE 254.A N PHE 322.A O no hydrogen 3.036 N/A ILE 255.A N ILE 305.A O no hydrogen 2.963 N/A TYR 256.A N ILE 324.A O no hydrogen 2.672 N/A CYS 257.A N ALA 307.A O no hydrogen 2.966 N/A CYS 257.A SG ILE 255.A O no hydrogen 4.016 N/A CYS 257.A SG GLU 262.A O no hydrogen 3.867 N/A CYS 257.A SG GLU 262.A OE2 no hydrogen 3.770 N/A LEU 258.A N GLU 262.A OE1 no hydrogen 3.275 N/A ARG 261.A N SER 259.A OG no hydrogen 3.089 N/A CYS 263.A N SER 259.A O no hydrogen 3.286 N/A CYS 263.A SG SER 259.A O no hydrogen 3.303 N/A CYS 263.A SG CYS 306.A O no hydrogen 3.125 N/A ASP 264.A N ARG 260.A O no hydrogen 3.347 N/A THR 265.A N ARG 261.A O no hydrogen 2.862 N/A THR 265.A OG1 ARG 261.A O no hydrogen 3.337 N/A MET 266.A N GLU 262.A O no hydrogen 2.792 N/A ALA 267.A N CYS 263.A O no hydrogen 2.923 N/A ASP 268.A N ASP 264.A O no hydrogen 3.033 N/A THR 269.A N THR 265.A O no hydrogen 2.932 N/A THR 269.A OG1 THR 265.A O no hydrogen 3.141 N/A LEU 270.A N MET 266.A O no hydrogen 3.125 N/A GLN 271.A N ALA 267.A O no hydrogen 2.893 N/A GLN 271.A NE2 ALA 277.A O no hydrogen 2.499 N/A ARG 272.A N ASP 268.A O no hydrogen 2.930 N/A ARG 272.A NH1 ASP 268.A OD2 no hydrogen 2.767 N/A ASP 273.A N LEU 270.A O no hydrogen 3.254 N/A GLY 274.A N GLN 271.A O no hydrogen 2.851 N/A LEU 275.A N LEU 270.A O no hydrogen 3.011 N/A ALA 277.A N LEU 275.A O no hydrogen 2.655 N/A LEU 278.A N VAL 304.A O no hydrogen 3.006 N/A TYR 280.A N CYS 306.A O no hydrogen 2.962 N/A TYR 280.A OH GLN 293.A OE1 no hydrogen 2.931 N/A HIS 281.A NE2 ASP 264.A OD1 no hydrogen 2.720 N/A GLY 283.A N HIS 281.A ND1 no hydrogen 3.214 N/A LEU 284.A N HIS 281.A O no hydrogen 3.278 N/A ALA 288.A N SER 285.A OG no hydrogen 3.224 N/A ARG 289.A N SER 285.A O no hydrogen 2.903 N/A ASP 290.A N ASP 286.A O no hydrogen 3.170 N/A GLU 291.A N SER 287.A O no hydrogen 3.219 N/A VAL 292.A N ALA 288.A O no hydrogen 2.861 N/A GLN 293.A N ARG 289.A O no hydrogen 3.282 N/A GLN 294.A N ASP 290.A O no hydrogen 3.143 N/A LYS 295.A N GLU 291.A O no hydrogen 3.126 N/A TRP 296.A N VAL 292.A O no hydrogen 2.918 N/A TRP 296.A NE1 GLY 253.A O no hydrogen 3.131 N/A ILE 297.A N GLN 293.A O no hydrogen 3.133 N/A ASN 298.A N GLN 294.A O no hydrogen 3.444 N/A GLN 299.A N TRP 296.A O no hydrogen 3.209 N/A GLN 299.A NE2 SER 252.A OG no hydrogen 2.886 N/A ASP 300.A N LYS 295.A O no hydrogen 2.676 N/A CYS 302.A SG VAL 304.A O no hydrogen 3.510 N/A GLN 303.A N ALA 276.A O no hydrogen 2.997 N/A GLN 303.A NE2 ASP 251.A O no hydrogen 2.996 N/A VAL 304.A N ALA 276.A O no hydrogen 3.326 N/A ILE 305.A N GLY 253.A O no hydrogen 3.455 N/A CYS 306.A N LEU 278.A O no hydrogen 2.670 N/A ALA 307.A N ILE 255.A O no hydrogen 2.978 N/A GLY 312.A N THR 308.A O no hydrogen 2.760 N/A MET 313.A N ILE 309.A O no hydrogen 3.358 N/A GLY 314.A N PHE 311.A O no hydrogen 3.070 N/A LYS 317.A NZ ILE 297.A O no hydrogen 2.889 N/A LYS 317.A NZ ASP 319.A OD1 no hydrogen 2.950 N/A LYS 317.A NZ TYR 572.A OH no hydrogen 2.992 N/A ARG 321.A N SER 252.A O no hydrogen 3.056 N/A ARG 321.A NE ILE 348.A O no hydrogen 2.954 N/A ARG 321.A NE SER 349.A OG no hydrogen 3.214 N/A ARG 321.A NH1 ASP 345.A OD2 no hydrogen 2.979 N/A ARG 321.A NH2 ASP 345.A OD1 no hydrogen 2.693 N/A ARG 321.A NH2 ASP 345.A OD2 no hydrogen 3.457 N/A ARG 321.A NH2 SER 349.A OG no hydrogen 2.987 N/A VAL 323.A N HIS 350.A O no hydrogen 2.884 N/A ILE 324.A N ILE 254.A O no hydrogen 2.768 N/A HIS 325.A N LEU 352.A O no hydrogen 2.980 N/A HIS 325.A NE2 GLU 338.A OE1 no hydrogen 2.568 N/A ALA 326.A N TYR 256.A O no hydrogen 3.045 N/A GLY 334.A N SER 331.A OG no hydrogen 2.881 N/A TYR 335.A N SER 331.A O no hydrogen 2.926 N/A TYR 336.A N VAL 332.A O no hydrogen 2.892 N/A TYR 336.A OH PHE 219.A O no hydrogen 2.436 N/A GLN 337.A N GLU 333.A O no hydrogen 3.270 N/A GLN 337.A NE2 ALA 193.A O no hydrogen 3.565 N/A GLU 338.A N GLY 334.A O no hydrogen 3.007 N/A SER 339.A N TYR 335.A O no hydrogen 2.877 N/A SER 339.A OG TYR 335.A O no hydrogen 2.932 N/A ARG 341.A NH1 GLY 312.A O no hydrogen 3.424 N/A ARG 341.A NH2 ILE 315.A O no hydrogen 3.249 N/A ALA 342.A N SER 339.A O no hydrogen 3.411 N/A GLY 343.A N VAL 320.A O no hydrogen 2.964 N/A ASP 345.A N PRO 318.A O no hydrogen 2.808 N/A GLY 346.A N GLY 343.A O no hydrogen 3.069 N/A GLU 347.A N ASP 345.A OD1 no hydrogen 3.476 N/A SER 349.A N ASN 223.A O no hydrogen 2.899 N/A SER 349.A OG VAL 320.A O no hydrogen 2.840 N/A SER 349.A OG GLU 347.A O no hydrogen 3.471 N/A HIS 350.A N ARG 321.A O no hydrogen 3.014 N/A CYS 351.A N LYS 225.A O no hydrogen 2.813 N/A CYS 351.A SG SER 339.A O no hydrogen 3.455 N/A LEU 352.A N VAL 323.A O no hydrogen 3.100 N/A LEU 353.A N TYR 227.A O no hydrogen 2.811 N/A PHE 354.A N HIS 325.A O no hydrogen 3.267 N/A TYR 355.A N LEU 229.A O no hydrogen 2.978 N/A TYR 355.A OH GLU 382.A OE2 no hydrogen 3.049 N/A THR 356.A OG1 LYS 231.A O no hydrogen 3.389 N/A THR 356.A OG1 ASP 359.A OD2 no hydrogen 3.420 N/A ASP 359.A N THR 356.A O no hydrogen 2.896 N/A VAL 360.A N TYR 357.A O no hydrogen 2.941 N/A THR 361.A OG1 HIS 358.A O no hydrogen 2.708 N/A ARG 362.A N HIS 358.A O no hydrogen 3.192 N/A ARG 362.A NH1 ASP 359.A OD1 no hydrogen 3.394 N/A LEU 363.A N ASP 359.A O no hydrogen 2.603 N/A LYS 364.A N VAL 360.A O no hydrogen 2.514 N/A LYS 364.A NZ TYR 375.A OH no hydrogen 3.161 N/A ARG 365.A N THR 361.A O no hydrogen 3.121 N/A THR 369.A N THR 366.A O no hydrogen 2.894 N/A THR 369.A OG1 THR 366.A O no hydrogen 2.289 N/A HIS 370.A N THR 366.A O no hydrogen 3.136 N/A PHE 371.A N ARG 367.A O no hydrogen 3.324 N/A ASN 372.A N GLU 368.A O no hydrogen 3.262 N/A ASN 372.A ND2 GLU 368.A O no hydrogen 2.880 N/A ASN 373.A N THR 369.A O no hydrogen 3.038 N/A TYR 375.A N PHE 371.A O no hydrogen 3.303 N/A SER 376.A N ASN 372.A O no hydrogen 3.150 N/A MET 377.A N ASN 373.A O no hydrogen 3.102 N/A VAL 378.A N LEU 374.A O no hydrogen 3.061 N/A HIS 379.A N TYR 375.A O no hydrogen 2.871 N/A TYR 380.A N SER 376.A O no hydrogen 3.255 N/A CYS 381.A N MET 377.A O no hydrogen 3.248 N/A CYS 381.A SG MET 377.A O no hydrogen 3.357 N/A GLU 382.A N VAL 378.A O no hydrogen 2.969 N/A ASN 383.A N HIS 379.A O no hydrogen 3.054 N/A THR 385.A N ASN 383.A OD1 no hydrogen 3.188 N/A THR 385.A OG1 ASN 383.A OD1 no hydrogen 3.269 N/A GLU 386.A N ASN 383.A OD1 no hydrogen 3.049 N/A ARG 388.A NE ASP 415.A OD1 no hydrogen 2.905 N/A ARG 388.A NE ASP 415.A OD2 no hydrogen 3.464 N/A ARG 388.A NH1 TYR 380.A O no hydrogen 2.684 N/A ARG 388.A NH2 CYS 381.A O no hydrogen 3.541 N/A ARG 389.A NH1 ASN 220.A OD1 no hydrogen 3.068 N/A ARG 389.A NH1 ARG 221.A O no hydrogen 2.656 N/A ARG 389.A NH2 ARG 221.A O no hydrogen 3.561 N/A ARG 389.A NH2 VAL 412.A O no hydrogen 2.805 N/A ILE 390.A N CYS 387.A O no hydrogen 3.093 N/A GLN 391.A N CYS 387.A O no hydrogen 3.125 N/A GLN 391.A NE2 ASN 383.A O no hydrogen 3.426 N/A GLN 391.A NE2 GLU 386.A O no hydrogen 2.842 N/A LEU 392.A N ARG 388.A O no hydrogen 3.183 N/A LEU 393.A N ARG 389.A O no hydrogen 3.282 N/A ALA 394.A N ILE 390.A O no hydrogen 2.766 N/A TYR 395.A N LEU 392.A O no hydrogen 3.094 N/A PHE 396.A N LEU 393.A O no hydrogen 3.013 N/A GLY 397.A N ALA 394.A O no hydrogen 3.284 N/A GLU 398.A N LEU 393.A O no hydrogen 3.143 N/A LYS 408.A N ASP 404.A O no hydrogen 2.958 N/A HIS 409.A N PHE 405.A O no hydrogen 2.656 N/A VAL 412.A N HIS 409.A O no hydrogen 3.113 N/A SER 413.A N PRO 410.A O no hydrogen 3.130 N/A SER 413.A OG CYS 414.A O no hydrogen 2.934 N/A ASP 415.A N TYR 226.A O no hydrogen 3.250 N/A ASN 416.A N ASP 415.A OD1 no hydrogen 2.515 N/A ASN 416.A ND2 ASN 383.A O no hydrogen 3.194 N/A ASN 416.A ND2 GLU 386.A O no hydrogen 2.749 N/A CYS 418.A N CYS 414.A O no hydrogen 2.986 N/A CYS 418.A N ASP 415.A O no hydrogen 3.055 N/A CYS 418.A SG SER 413.A OG no hydrogen 3.552 N/A CYS 418.A SG CYS 414.A O no hydrogen 3.425 N/A LYS 419.A N ASP 415.A O no hydrogen 3.381 N/A LYS 419.A NZ ILE 384.A O no hydrogen 2.970 N/A TYR 423.A N THR 420.A O no hydrogen 3.133 N/A TYR 423.A OH GLU 528.A OE1 no hydrogen 2.937 N/A ARG 426.A N PHE 524.A O no hydrogen 3.014 N/A VAL 428.A N VAL 522.A O no hydrogen 3.415 N/A THR 429.A OG1 ASP 427.A OD1 no hydrogen 2.529 N/A THR 429.A OG1 ASP 427.A OD2 no hydrogen 3.361 N/A VAL 432.A N VAL 428.A O no hydrogen 3.000 N/A LYS 433.A N THR 429.A O no hydrogen 2.818 N/A SER 434.A N ASP 430.A O no hydrogen 3.043 N/A SER 434.A OG ASP 430.A O no hydrogen 3.090 N/A ILE 435.A N ASP 431.A O no hydrogen 2.967 N/A VAL 436.A N VAL 432.A O no hydrogen 2.906 N/A ARG 437.A N LYS 433.A O no hydrogen 2.954 N/A PHE 438.A N SER 434.A O no hydrogen 2.908 N/A VAL 439.A N ILE 435.A O no hydrogen 2.967 N/A GLN 440.A N VAL 436.A O no hydrogen 2.953 N/A GLU 441.A N ARG 437.A O no hydrogen 3.140 N/A HIS 442.A N PHE 438.A O no hydrogen 3.362 N/A LEU 449.A N THR 445.A O no hydrogen 3.279 N/A VAL 450.A N MET 446.A O no hydrogen 3.076 N/A ASP 451.A N ASN 447.A O no hydrogen 3.045 N/A ILE 452.A N MET 448.A O no hydrogen 3.185 N/A PHE 453.A N LEU 449.A O no hydrogen 2.866 N/A LEU 454.A N VAL 450.A O no hydrogen 2.830 N/A GLY 455.A N ASP 451.A O no hydrogen 2.775 N/A SER 456.A N ASP 451.A O no hydrogen 3.134 N/A SER 456.A OG ASP 451.A O no hydrogen 3.010 N/A SER 456.A OG ASP 451.A OD1 no hydrogen 3.005 N/A ALA 459.A N SER 456.A O no hydrogen 3.146 N/A GLY 467.A N ILE 452.A O no hydrogen 3.053 N/A LYS 468.A N ILE 465.A O no hydrogen 2.946 N/A GLY 469.A N PHE 453.A O no hydrogen 2.701 N/A SER 470.A N GLY 467.A O no hydrogen 3.209 N/A SER 470.A OG GLY 467.A O no hydrogen 3.444 N/A TYR 472.A N GLY 469.A O no hydrogen 3.071 N/A ARG 474.A NH2 ASP 451.A OD1 no hydrogen 2.352 N/A ALA 477.A N SER 473.A O no hydrogen 2.830 N/A GLU 478.A N ARG 474.A O no hydrogen 3.085 N/A ARG 479.A N HIS 475.A O no hydrogen 3.152 N/A ARG 479.A NH1 ASN 476.A OD1 no hydrogen 3.005 N/A ARG 479.A NH1 MET 525.A O no hydrogen 2.724 N/A ARG 479.A NH2 MET 525.A O no hydrogen 3.039 N/A LEU 480.A N ASN 476.A O no hydrogen 2.833 N/A PHE 481.A N ALA 477.A O no hydrogen 3.363 N/A LYS 482.A N GLU 478.A O no hydrogen 3.044 N/A LYS 483.A N ARG 479.A O no hydrogen 2.774 N/A LYS 483.A NZ ASP 487.A OD2 no hydrogen 3.238 N/A LYS 483.A NZ ASP 523.A O no hydrogen 3.385 N/A LEU 484.A N LEU 480.A O no hydrogen 2.936 N/A ILE 485.A N PHE 481.A O no hydrogen 3.362 N/A ILE 485.A N LYS 482.A O no hydrogen 3.230 N/A LEU 486.A N LYS 482.A O no hydrogen 3.173 N/A ASP 487.A N LYS 483.A O no hydrogen 2.853 N/A LYS 488.A N ILE 485.A O no hydrogen 3.327 N/A LEU 490.A N LEU 484.A O no hydrogen 2.786 N/A ASP 491.A N MET 507.A O no hydrogen 2.734 N/A ASP 493.A N TYR 505.A O no hydrogen 3.188 N/A TYR 495.A N ILE 503.A O no hydrogen 2.865 N/A ASN 497.A N GLN 501.A O no hydrogen 3.251 N/A ASN 497.A ND2 GLN 501.A OE1 no hydrogen 3.217 N/A ASN 499.A ND2 ASP 500.A OD2 no hydrogen 3.451 N/A ILE 503.A N TYR 495.A O no hydrogen 2.798 N/A TYR 505.A N ASP 493.A O no hydrogen 3.103 N/A TYR 505.A OH ASP 493.A OD2 no hydrogen 2.755 N/A VAL 506.A N PHE 444.A O no hydrogen 2.773 N/A MET 507.A N ASP 491.A O no hydrogen 3.012 N/A GLY 509.A N ILE 489.A O no hydrogen 3.123 N/A LYS 511.A N LYS 488.A O no hydrogen 3.195 N/A ALA 512.A N GLY 509.A O no hydrogen 2.891 N/A THR 514.A OG1 LYS 511.A O no hydrogen 3.201 N/A VAL 515.A N ALA 512.A O no hydrogen 3.076 N/A ASN 517.A N GLN 513.A O no hydrogen 3.311 N/A GLY 518.A N VAL 515.A O no hydrogen 2.954 N/A PHE 524.A N ARG 426.A O no hydrogen 2.926 N/A THR 527.A N ASN 476.A OD1 no hydrogen 2.895 N/A THR 527.A OG1 HIS 475.A NE2 no hydrogen 3.302 N/A SER 532.A N ASN 529.A O no hydrogen 3.165 N/A LYS 534.A NZ SER 532.A O no hydrogen 3.486 N/A GLN 536.A NE2 ASP 422.A OD2 no hydrogen 2.601 N/A ARG 546.A NH1 TRP 623.A O no hydrogen 2.963 N/A GLU 548.A N SER 544.A O no hydrogen 3.073 N/A MET 549.A N ARG 546.A O no hydrogen 2.937 N/A VAL 550.A N ARG 546.A O no hydrogen 3.286 N/A CYS 553.A N MET 549.A O no hydrogen 2.837 N/A LEU 554.A N VAL 550.A O no hydrogen 2.781 N/A GLY 555.A N LYS 551.A O no hydrogen 2.924 N/A GLU 556.A N LYS 552.A O no hydrogen 3.235 N/A LEU 557.A N CYS 553.A O no hydrogen 2.853 N/A THR 558.A N LEU 554.A O no hydrogen 2.861 N/A THR 558.A OG1 LEU 554.A O no hydrogen 2.608 N/A GLU 559.A N GLY 555.A O no hydrogen 3.330 N/A VAL 560.A N GLU 556.A O no hydrogen 3.006 N/A CYS 561.A N LEU 557.A O no hydrogen 3.193 N/A CYS 561.A SG LEU 557.A O no hydrogen 3.773 N/A LYS 562.A N THR 558.A O no hydrogen 2.980 N/A LYS 562.A NZ GLN 299.A OE1 no hydrogen 3.183 N/A SER 563.A N GLU 559.A O no hydrogen 2.788 N/A SER 563.A OG GLU 559.A O no hydrogen 3.345 N/A SER 563.A OG VAL 560.A O no hydrogen 2.693 N/A LEU 564.A N VAL 560.A O no hydrogen 2.850 N/A GLY 565.A N CYS 561.A O no hydrogen 2.932 N/A VAL 567.A N SER 563.A O no hydrogen 3.129 N/A PHE 568.A N LEU 564.A O no hydrogen 2.845 N/A VAL 570.A N GLY 565.A O no hydrogen 2.692 N/A HIS 571.A N GLN 87.A OE1 no hydrogen 3.017 N/A HIS 571.A ND1 ASP 84.A OD1 no hydrogen 2.840 N/A TYR 572.A OH ASP 319.A OD2 no hydrogen 2.309 N/A ASN 574.A N HIS 571.A O no hydrogen 2.919 N/A ASN 574.A ND2 ASP 84.A OD1 no hydrogen 3.320 N/A ASN 574.A ND2 GLN 87.A OE1 no hydrogen 3.147 N/A THR 578.A OG1 ASP 345.A OD2 no hydrogen 2.588 N/A THR 580.A N ASN 577.A OD1 no hydrogen 2.822 N/A THR 580.A OG1 ASN 577.A OD1 no hydrogen 2.532 N/A THR 580.A OG1 ASP 599.A O no hydrogen 2.779 N/A LEU 581.A N ASN 577.A O no hydrogen 3.113 N/A LYS 582.A N THR 578.A O no hydrogen 2.971 N/A LYS 582.A NZ GLU 347.A OE1 no hydrogen 3.504 N/A LYS 583.A N VAL 579.A O no hydrogen 2.975 N/A LYS 583.A N THR 580.A O no hydrogen 3.214 N/A LEU 584.A N THR 580.A O no hydrogen 2.924 N/A ALA 585.A N LEU 581.A O no hydrogen 3.058 N/A GLU 586.A N LYS 582.A O no hydrogen 3.219 N/A SER 587.A N LYS 583.A O no hydrogen 3.109 N/A SER 587.A N LEU 584.A O no hydrogen 3.101 N/A SER 587.A OG LEU 584.A O no hydrogen 2.640 N/A LEU 588.A N LEU 584.A O no hydrogen 3.113 N/A SER 589.A N SER 587.A OG no hydrogen 3.236 N/A SER 589.A OG SER 587.A O no hydrogen 3.550 N/A GLU 593.A N ASP 591.A OD1 no hydrogen 3.481 N/A VAL 594.A N ASP 591.A O no hydrogen 2.858 N/A LEU 595.A N ASP 591.A O no hydrogen 3.180 N/A LEU 596.A N PRO 592.A O no hydrogen 3.149 N/A GLN 597.A N VAL 594.A O no hydrogen 3.293 N/A ILE 598.A N LEU 595.A O no hydrogen 2.981 N/A GLY 600.A N GLY 26.A O no hydrogen 3.289 N/A VAL 601.A N ILE 598.A O no hydrogen 3.047 N/A LYS 605.A N THR 602.A OG1 no hydrogen 3.235 N/A LYS 605.A NZ ILE 575.A O no hydrogen 2.759 N/A LEU 606.A N THR 602.A O no hydrogen 2.842 N/A GLU 607.A N ASP 604.A O no hydrogen 3.046 N/A LYS 608.A N ASP 604.A O no hydrogen 2.995 N/A LYS 608.A NZ THR 90.A O no hydrogen 3.339 N/A LYS 608.A NZ TYR 609.A OH no hydrogen 3.445 N/A TYR 609.A N LYS 605.A O no hydrogen 2.955 N/A TYR 609.A OH SER 91.A OG no hydrogen 3.254 N/A GLU 612.A N GLU 612.A OE1 no hydrogen 2.454 N/A ILE 614.A N GLY 610.A O no hydrogen 2.791 N/A SER 615.A N ALA 611.A O no hydrogen 3.065 N/A VAL 616.A N GLU 612.A O no hydrogen 3.410 N/A LEU 617.A N VAL 613.A O no hydrogen 3.227 N/A GLN 618.A N ILE 614.A O no hydrogen 2.979 N/A GLN 618.A N SER 615.A O no hydrogen 3.199 N/A TYR 620.A OH GLU 556.A OE2 no hydrogen 2.262 N/A SER 621.A N GLN 618.A O no hydrogen 3.127 N/A SER 621.A OG GLN 618.A O no hydrogen 2.814 N/A SER 621.A OG GLU 622.A OE1 no hydrogen 3.018 N/A GLU 622.A N GLU 622.A OE1 no hydrogen 2.616 N/A TRP 623.A N TYR 620.A O no hydrogen 3.035 N/A THR 624.A OG1 SER 621.A O no hydrogen 3.551 N/A THR 624.A OG1 THR 624.A O no hydrogen 2.455 N/A SER 625.A N TRP 623.A O no hydrogen 2.848 N/A