Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a2f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N PHE 18.A O no hydrogen 2.718 N/A VAL 4.A N ASP 3.A OD1 no hydrogen 2.561 N/A ASP 5.A N ARG 16.A O no hydrogen 3.373 N/A ILE 7.A N VAL 14.A O no hydrogen 3.445 N/A THR 8.A OG1 HIS 88.A NE2 no hydrogen 3.145 N/A GLU 9.A N LYS 12.A O no hydrogen 2.984 N/A LYS 12.A N GLU 9.A O no hydrogen 2.875 N/A LYS 12.A NZ GLU 87.A OE1 no hydrogen 2.385 N/A VAL 14.A N ILE 7.A O no hydrogen 3.003 N/A ARG 16.A N ASP 5.A O no hydrogen 2.845 N/A ARG 16.A NE ASP 5.A OD2 no hydrogen 3.053 N/A ARG 16.A NH2 ASP 5.A OD1 no hydrogen 2.747 N/A ARG 16.A NH2 ASP 5.A OD2 no hydrogen 3.517 N/A LEU 17.A N GLU 28.A O no hydrogen 2.778 N/A PHE 18.A N ASP 3.A O no hydrogen 3.175 N/A LYS 19.A N LYS 26.A O no hydrogen 2.878 N/A LYS 20.A NZ ASP 200.A OD1 no hydrogen 3.145 N/A LYS 20.A NZ ASP 200.A OD2 no hydrogen 2.518 N/A ASN 22.A N GLU 131.A OE1 no hydrogen 2.946 N/A GLY 23.A N GLU 131.A OE2 no hydrogen 2.928 N/A LYS 26.A N LYS 19.A O no hydrogen 2.794 N/A GLU 28.A N LEU 17.A O no hydrogen 3.028 N/A ASP 30.A N ILE 15.A O no hydrogen 2.705 N/A ARG 31.A NE GLU 9.A OE1 no hydrogen 2.810 N/A ARG 31.A NH2 GLU 9.A OE1 no hydrogen 2.602 N/A ARG 31.A NH2 GLU 9.A OE2 no hydrogen 3.422 N/A THR 32.A N ASP 30.A OD2 no hydrogen 3.095 N/A THR 32.A OG1 ASP 30.A OD2 no hydrogen 3.107 N/A TYR 36.A OH ASP 122.A OD2 no hydrogen 2.444 N/A ILE 37.A N LEU 84.A O no hydrogen 3.484 N/A TYR 38.A N PHE 109.A O no hydrogen 3.169 N/A ALA 39.A N TRP 82.A O no hydrogen 3.117 N/A LEU 40.A N ASP 107.A O no hydrogen 2.954 N/A ARG 42.A N ALA 104.A O no hydrogen 3.185 N/A ARG 42.A NE PRO 103.A O no hydrogen 2.912 N/A SER 45.A N ASP 43.A O no hydrogen 2.410 N/A LYS 46.A N ASP 43.A O no hydrogen 2.815 N/A GLU 48.A N SER 45.A O no hydrogen 3.293 N/A VAL 50.A N LYS 46.A O no hydrogen 3.050 N/A LYS 51.A N ILE 47.A O no hydrogen 3.007 N/A LYS 51.A NZ GLU 48.A O no hydrogen 3.529 N/A THR 54.A OG1 GLY 55.A O no hydrogen 3.505 N/A THR 54.A OG1 VAL 62.A O no hydrogen 2.419 N/A GLY 55.A N VAL 62.A O no hydrogen 3.142 N/A ASP 66.A N ILE 64.A O no hydrogen 2.496 N/A VAL 67.A N ASP 66.A OD1 no hydrogen 3.157 N/A VAL 70.A N VAL 81.A O no hydrogen 3.083 N/A LYS 73.A N ASN 357.A O no hydrogen 2.827 N/A LYS 73.A NZ GLU 358.A OE2 no hydrogen 3.269 N/A PHE 74.A N LYS 77.A O no hydrogen 2.697 N/A LYS 77.A N PHE 74.A O no hydrogen 2.733 N/A THR 80.A OG1 ASP 44.A OD2 no hydrogen 3.036 N/A VAL 81.A N VAL 70.A O no hydrogen 3.317 N/A TRP 82.A N ALA 39.A O no hydrogen 2.913 N/A TRP 82.A NE1 ASP 44.A OD1 no hydrogen 2.661 N/A LYS 83.A N GLU 68.A O no hydrogen 3.148 N/A LYS 83.A NZ TYR 85.A OH no hydrogen 2.859 N/A LEU 84.A N ILE 37.A O no hydrogen 3.187 N/A TYR 85.A OH GLU 68.A OE1 no hydrogen 2.760 N/A LEU 86.A N PRO 35.A O no hydrogen 3.079 N/A HIS 88.A NE2 THR 8.A OG1 no hydrogen 3.145 N/A GLN 90.A N HIS 88.A ND1 no hydrogen 2.885 N/A ASP 91.A N HIS 88.A O no hydrogen 2.996 N/A VAL 92.A N PRO 89.A O no hydrogen 2.800 N/A ILE 95.A N ASP 91.A O no hydrogen 3.305 N/A ARG 96.A N VAL 92.A O no hydrogen 2.912 N/A ARG 96.A NH1 TYR 111.A O no hydrogen 2.805 N/A VAL 99.A N ILE 95.A O no hydrogen 2.937 N/A ARG 100.A N ARG 96.A O no hydrogen 3.478 N/A ARG 100.A NH1 TYR 111.A OH no hydrogen 3.288 N/A ARG 100.A NH2 ASP 107.A OD2 no hydrogen 2.843 N/A ARG 100.A NH2 TYR 111.A OH no hydrogen 3.178 N/A VAL 105.A N HIS 102.A O no hydrogen 2.861 N/A VAL 106.A N LEU 40.A O no hydrogen 2.758 N/A ILE 108.A N ASP 107.A OD2 no hydrogen 2.502 N/A PHE 109.A N TYR 38.A O no hydrogen 2.860 N/A ARG 118.A N PRO 114.A O no hydrogen 2.713 N/A ARG 118.A NH1 GLU 110.A OE1 no hydrogen 2.644 N/A ARG 118.A NH2 ASP 122.A OD1 no hydrogen 2.663 N/A TYR 119.A N PHE 115.A O no hydrogen 3.066 N/A TYR 119.A OH ASP 30.A OD1 no hydrogen 2.758 N/A LEU 120.A N ALA 116.A O no hydrogen 3.304 N/A ILE 121.A N LYS 117.A O no hydrogen 3.230 N/A ASP 122.A N ARG 118.A O no hydrogen 2.986 N/A LYS 123.A N TYR 119.A O no hydrogen 2.712 N/A LYS 123.A NZ ASP 30.A OD1 no hydrogen 3.161 N/A GLY 124.A N ILE 121.A O no hydrogen 2.782 N/A LEU 125.A N LEU 120.A O no hydrogen 2.919 N/A LYS 134.A N ASP 200.A OD2 no hydrogen 2.744 N/A LEU 136.A N ILE 201.A O no hydrogen 3.015 N/A ALA 137.A N ALA 160.A O no hydrogen 2.758 N/A PHE 138.A N VAL 203.A O no hydrogen 3.173 N/A ASP 139.A N SER 158.A O no hydrogen 2.775 N/A LEU 143.A N PRO 154.A O no hydrogen 3.162 N/A TYR 144.A N THR 142.A OG1 no hydrogen 2.764 N/A LYS 152.A N GLU 149.A O no hydrogen 3.173 N/A ILE 155.A N GLU 184.A OE2 no hydrogen 2.553 N/A SER 158.A N ASP 139.A O no hydrogen 2.769 N/A SER 158.A OG SER 306.A O no hydrogen 2.959 N/A TYR 159.A N LYS 166.A O no hydrogen 3.042 N/A TYR 159.A OH GLU 179.A OE2 no hydrogen 2.876 N/A ALA 160.A N ALA 137.A O no hydrogen 2.862 N/A ASP 161.A N GLU 164.A O no hydrogen 2.979 N/A ASN 163.A N ASP 161.A OD2 no hydrogen 3.138 N/A ASN 163.A ND2 GLU 162.A OE2 no hydrogen 2.917 N/A LYS 166.A N TYR 159.A O no hydrogen 2.986 N/A LYS 166.A NZ GLU 164.A OE2 no hydrogen 3.300 N/A VAL 167.A N TYR 177.A O no hydrogen 3.026 N/A ILE 168.A N ILE 157.A O no hydrogen 3.024 N/A THR 169.A N GLU 179.A O no hydrogen 3.246 N/A THR 169.A OG1 ILE 156.A O no hydrogen 3.086 N/A LYS 171.A NZ TRP 293.A O no hydrogen 2.910 N/A VAL 178.A N LEU 175.A O no hydrogen 2.894 N/A GLU 179.A N VAL 167.A O no hydrogen 2.666 N/A VAL 181.A N THR 169.A O no hydrogen 2.810 N/A ARG 185.A NE LEU 222.A O no hydrogen 2.779 N/A ARG 185.A NH2 LEU 222.A O no hydrogen 3.370 N/A GLU 186.A N SER 183.A OG no hydrogen 3.335 N/A LYS 188.A N ARG 185.A O no hydrogen 2.880 N/A LYS 188.A NZ GLU 186.A OE2 no hydrogen 3.179 N/A ARG 189.A N GLU 186.A O no hydrogen 2.732 N/A ARG 189.A NE GLU 179.A OE1 no hydrogen 3.130 N/A LEU 191.A N ILE 187.A O no hydrogen 2.939 N/A ARG 192.A N LYS 188.A O no hydrogen 2.892 N/A ILE 193.A N ARG 189.A O no hydrogen 2.808 N/A ILE 194.A N PHE 190.A O no hydrogen 3.168 N/A ARG 195.A N LEU 191.A O no hydrogen 3.183 N/A GLU 196.A N ARG 192.A O no hydrogen 2.752 N/A LYS 197.A N ILE 193.A O no hydrogen 2.570 N/A LYS 197.A NZ ASP 161.A OD1 no hydrogen 2.609 N/A LYS 197.A NZ GLU 164.A OE1 no hydrogen 2.747 N/A ASP 198.A N ILE 194.A O no hydrogen 2.603 N/A ASP 200.A N LYS 134.A O no hydrogen 2.807 N/A ILE 201.A N LYS 134.A O no hydrogen 3.146 N/A ILE 202.A N ILE 250.A O no hydrogen 2.877 N/A VAL 203.A N LEU 136.A O no hydrogen 2.752 N/A THR 204.A N PHE 252.A O no hydrogen 2.981 N/A THR 204.A OG1 HIS 251.A NE2 no hydrogen 2.694 N/A TYR 205.A OH TYR 267.A O no hydrogen 2.667 N/A ASN 206.A N ASP 253.A OD1 no hydrogen 2.612 N/A GLY 207.A N THR 204.A OG1 no hydrogen 3.197 N/A ASP 208.A N ASP 253.A OD2 no hydrogen 3.134 N/A SER 209.A OG ASN 206.A OD1 no hydrogen 2.866 N/A PHE 210.A N ASN 206.A O no hydrogen 3.078 N/A PHE 212.A N GLY 207.A O no hydrogen 3.015 N/A TYR 214.A N PHE 210.A O no hydrogen 2.875 N/A TYR 214.A OH GLY 153.A O no hydrogen 2.582 N/A LEU 215.A N ASP 211.A O no hydrogen 2.842 N/A ALA 216.A N PHE 212.A O no hydrogen 2.768 N/A LYS 217.A N PRO 213.A O no hydrogen 3.012 N/A ARG 218.A N TYR 214.A O no hydrogen 3.121 N/A ARG 218.A NE GLY 151.A O no hydrogen 3.015 N/A ARG 218.A NH1 GLU 184.A OE2 no hydrogen 3.092 N/A ARG 218.A NH2 GLY 151.A O no hydrogen 3.200 N/A ALA 219.A N LEU 215.A O no hydrogen 2.925 N/A GLU 220.A N ALA 216.A O no hydrogen 3.014 N/A LYS 221.A N LYS 217.A O no hydrogen 2.921 N/A LEU 222.A N ARG 218.A O no hydrogen 2.835 N/A GLY 223.A N GLU 220.A O no hydrogen 2.699 N/A ILE 224.A N ALA 219.A O no hydrogen 2.805 N/A LYS 225.A NZ GLY 232.A O no hydrogen 3.274 N/A LEU 226.A N GLU 234.A OE1 no hydrogen 2.861 N/A ILE 228.A N LEU 226.A O no hydrogen 2.735 N/A GLY 229.A N SER 233.A O no hydrogen 2.757 N/A ARG 230.A NE ASP 198.A OD2 no hydrogen 3.229 N/A ARG 230.A NH1 ASP 200.A OD1 no hydrogen 3.118 N/A ARG 230.A NH1 GLY 248.A O no hydrogen 3.213 N/A ARG 230.A NH2 ASP 198.A O no hydrogen 3.514 N/A ARG 230.A NH2 ASP 200.A OD1 no hydrogen 2.576 N/A GLY 232.A N GLY 229.A O no hydrogen 2.763 N/A SER 233.A N ASP 231.A OD1 no hydrogen 3.013 N/A SER 233.A OG ASP 231.A OD1 no hydrogen 2.764 N/A LYS 236.A N GLU 245.A O no hydrogen 2.822 N/A GLN 237.A NE2 GLU 245.A OE1 no hydrogen 3.117 N/A GLN 237.A NE2 GLU 245.A OE2 no hydrogen 2.878 N/A ALA 243.A N GLN 237.A O no hydrogen 2.812 N/A VAL 244.A N ASP 208.A OD1 no hydrogen 2.876 N/A GLU 245.A N LYS 236.A O no hydrogen 2.782 N/A LYS 247.A NZ ASP 5.A OD1 no hydrogen 3.183 N/A LYS 247.A NZ GLU 245.A OE2 no hydrogen 3.504 N/A ARG 249.A N VAL 246.A O no hydrogen 2.757 N/A ARG 249.A NE ILE 228.A O no hydrogen 2.779 N/A ARG 249.A NH1 ASP 198.A OD2 no hydrogen 2.865 N/A ARG 249.A NH1 PRO 199.A O no hydrogen 2.790 N/A ARG 249.A NH2 ASP 198.A OD2 no hydrogen 3.454 N/A ARG 249.A NH2 ILE 228.A O no hydrogen 3.478 N/A ILE 250.A N ASP 200.A O no hydrogen 2.766 N/A HIS 251.A ND1 VAL 244.A O no hydrogen 2.823 N/A HIS 251.A NE2 THR 204.A OG1 no hydrogen 2.694 N/A PHE 252.A N ILE 202.A O no hydrogen 2.755 N/A LEU 254.A N THR 204.A O no hydrogen 2.902 N/A TYR 255.A N ASP 253.A OD1 no hydrogen 3.010 N/A HIS 256.A NE2 ASP 208.A OD2 no hydrogen 2.755 N/A ILE 258.A N LEU 254.A O no hydrogen 2.821 N/A THR 259.A N TYR 255.A O no hydrogen 2.976 N/A ARG 260.A NH1 SER 337.A O no hydrogen 3.072 N/A THR 261.A N ILE 258.A O no hydrogen 2.594 N/A THR 261.A OG1 VAL 257.A O no hydrogen 2.993 N/A THR 261.A OG1 ILE 258.A O no hydrogen 3.169 N/A TYR 267.A OH ILE 262.A O no hydrogen 3.130 N/A ALA 271.A N THR 268.A OG1 no hydrogen 2.855 N/A VAL 272.A N THR 268.A O no hydrogen 2.974 N/A TYR 273.A N LEU 269.A O no hydrogen 2.943 N/A TYR 273.A OH GLU 314.A OE1 no hydrogen 2.702 N/A GLU 274.A N GLU 270.A O no hydrogen 2.954 N/A ALA 275.A N ALA 271.A O no hydrogen 2.891 N/A ILE 276.A N TYR 273.A O no hydrogen 3.453 N/A PHE 277.A N TYR 273.A O no hydrogen 3.049 N/A GLY 278.A N GLU 274.A O no hydrogen 2.565 N/A LYS 281.A NZ GLU 270.A OE2 no hydrogen 3.102 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.449 N/A LYS 283.A NZ TYR 305.A OH no hydrogen 2.617 N/A TYR 285.A N GLU 288.A OE1 no hydrogen 3.404 N/A ILE 289.A N TYR 285.A O no hydrogen 2.927 N/A ALA 290.A N ALA 286.A O no hydrogen 2.850 N/A LYS 291.A N ASP 287.A O no hydrogen 3.140 N/A ALA 292.A N GLU 288.A O no hydrogen 2.925 N/A TRP 293.A N ILE 289.A O no hydrogen 2.960 N/A GLU 294.A N ALA 290.A O no hydrogen 2.824 N/A SER 295.A OG LYS 291.A O no hydrogen 2.927 N/A GLU 297.A N SER 295.A O no hydrogen 2.184 N/A GLU 300.A N GLU 300.A OE1 no hydrogen 2.738 N/A ARG 301.A NH1 GLU 288.A OE2 no hydrogen 3.224 N/A ARG 301.A NH2 GLU 288.A OE2 no hydrogen 2.658 N/A ALA 303.A N GLU 300.A O no hydrogen 3.133 N/A LYS 304.A N GLU 300.A O no hydrogen 3.047 N/A TYR 305.A N ARG 301.A O no hydrogen 3.062 N/A ASP 308.A N TYR 305.A O no hydrogen 2.741 N/A ALA 309.A N SER 306.A O no hydrogen 3.264 N/A ALA 311.A N GLU 307.A O no hydrogen 2.905 N/A THR 312.A N ASP 308.A O no hydrogen 2.965 N/A THR 312.A OG1 ASP 308.A O no hydrogen 2.997 N/A TYR 313.A N ALA 309.A O no hydrogen 2.889 N/A GLU 314.A N LYS 310.A O no hydrogen 3.033 N/A LEU 315.A N ALA 311.A O no hydrogen 2.869 N/A GLY 316.A N THR 312.A O no hydrogen 2.939 N/A LYS 317.A N TYR 313.A O no hydrogen 2.992 N/A GLU 318.A N GLU 314.A O no hydrogen 2.996 N/A PHE 319.A N LEU 315.A O no hydrogen 2.809 N/A LEU 320.A N GLY 316.A O no hydrogen 2.763 N/A ILE 323.A N LEU 320.A O no hydrogen 2.887 N/A GLN 324.A N PRO 321.A O no hydrogen 3.097 N/A SER 326.A N GLU 322.A O no hydrogen 2.823 N/A SER 326.A OG GLU 322.A O no hydrogen 2.834 N/A ARG 327.A N ILE 323.A O no hydrogen 2.917 N/A ARG 327.A NE GLN 324.A OE1 no hydrogen 3.049 N/A LEU 328.A N GLN 324.A O no hydrogen 2.804 N/A VAL 329.A N LEU 325.A O no hydrogen 3.003 N/A TRP 334.A NE1 VAL 244.A O no hydrogen 2.899 N/A VAL 336.A N PRO 332.A O no hydrogen 2.894 N/A SER 337.A N LEU 333.A O no hydrogen 2.768 N/A SER 337.A OG LEU 333.A O no hydrogen 3.168 N/A SER 337.A OG TRP 334.A O no hydrogen 3.074 N/A ARG 338.A N ASP 335.A O no hydrogen 3.143 N/A ARG 338.A NE TRP 334.A O no hydrogen 2.927 N/A ARG 338.A NH1 ASP 208.A OD2 no hydrogen 2.766 N/A ARG 338.A NH2 HIS 251.A O no hydrogen 2.372 N/A ARG 338.A NH2 TRP 334.A O no hydrogen 3.552 N/A SER 339.A N VAL 336.A O no hydrogen 3.055 N/A SER 339.A OG ASP 335.A O no hydrogen 2.667 N/A ASN 343.A N SER 340.A OG no hydrogen 3.262 N/A LEU 344.A N SER 340.A O no hydrogen 2.782 N/A VAL 345.A N THR 341.A O no hydrogen 2.821 N/A GLU 346.A N GLY 342.A O no hydrogen 2.996 N/A TRP 347.A N ASN 343.A O no hydrogen 3.087 N/A PHE 348.A N LEU 344.A O no hydrogen 3.332 N/A LEU 349.A N VAL 345.A O no hydrogen 2.967 N/A LEU 350.A N GLU 346.A O no hydrogen 2.991 N/A ARG 351.A N TRP 347.A O no hydrogen 3.380 N/A ARG 351.A NH2 LEU 120.A O no hydrogen 3.203 N/A LYS 352.A N PHE 348.A O no hydrogen 3.015 N/A LYS 352.A NZ GLU 355.A OE2 no hydrogen 3.093 N/A TYR 354.A N LEU 350.A O no hydrogen 3.218 N/A TYR 354.A OH ASP 122.A O no hydrogen 3.376 N/A GLU 355.A N ARG 351.A O no hydrogen 3.005 N/A ARG 356.A N LYS 352.A O no hydrogen 3.383 N/A ARG 356.A NH1 SER 444.A OG no hydrogen 3.319 N/A ARG 356.A NH2 SER 444.A OG no hydrogen 2.605 N/A GLU 358.A N ALA 353.A O no hydrogen 2.878 N/A VAL 359.A N LYS 73.A O no hydrogen 2.782 N/A ALA 360.A N GLU 110.A OE2 no hydrogen 3.037 N/A ASN 362.A ND2 ILE 108.A O no hydrogen 3.062 N/A GLU 368.A N SER 365.A OG no hydrogen 3.355 N/A TYR 369.A N SER 365.A O no hydrogen 2.709 N/A GLN 370.A N GLU 366.A O no hydrogen 3.179 N/A ARG 371.A N GLU 367.A O no hydrogen 2.883 N/A ARG 371.A NE GLU 368.A OE2 no hydrogen 2.611 N/A ARG 371.A NH1 GLU 375.A OE2 no hydrogen 3.531 N/A ARG 371.A NH2 GLU 368.A OE1 no hydrogen 3.491 N/A ARG 371.A NH2 GLU 368.A OE2 no hydrogen 3.222 N/A ARG 372.A NE ALA 492.A O no hydrogen 3.137 N/A ARG 372.A NH2 ALA 492.A O no hydrogen 2.925 N/A ARG 372.A NH2 ALA 494.A O no hydrogen 2.921 N/A LEU 373.A N TYR 369.A O no hydrogen 3.077 N/A ARG 374.A N GLN 370.A O no hydrogen 3.205 N/A GLU 375.A N ARG 372.A O no hydrogen 3.095 N/A THR 378.A OG1 THR 506.A OG1 no hydrogen 3.227 N/A LYS 383.A N ILE 531.A O no hydrogen 2.914 N/A LYS 383.A NZ GLU 384.A O no hydrogen 2.853 N/A LYS 383.A NZ GLU 386.A OE2 no hydrogen 2.520 N/A GLU 386.A N LEU 529.A O no hydrogen 3.004 N/A LYS 387.A NZ PRO 385.A O no hydrogen 3.141 N/A TRP 390.A N GLY 578.A O no hydrogen 2.960 N/A TRP 390.A NE1 LYS 387.A O no hydrogen 3.064 N/A ASN 392.A N LYS 576.A O no hydrogen 2.858 N/A ASN 392.A ND2 GLY 543.A O no hydrogen 3.637 N/A ILE 393.A N TYR 575.A O no hydrogen 2.727 N/A VAL 394.A N ALA 538.A O no hydrogen 2.852 N/A TYR 395.A N GLY 573.A O no hydrogen 2.949 N/A LEU 396.A N LEU 536.A O no hydrogen 2.877 N/A ASP 397.A N GLU 570.A O no hydrogen 3.266 N/A ARG 399.A N GLU 568.A O no hydrogen 2.852 N/A ARG 399.A NH1 GLU 570.A OE1 no hydrogen 3.434 N/A SER 404.A N ALA 400.A O no hydrogen 2.757 N/A SER 404.A OG ALA 400.A O no hydrogen 3.166 N/A SER 404.A OG LEU 401.A O no hydrogen 2.598 N/A ILE 405.A N LEU 401.A O no hydrogen 3.044 N/A ILE 406.A N TYR 402.A O no hydrogen 2.890 N/A ILE 407.A N PRO 403.A O no hydrogen 2.951 N/A THR 408.A N SER 404.A O no hydrogen 2.856 N/A HIS 409.A N ILE 405.A O no hydrogen 3.060 N/A HIS 409.A ND1 ASP 425.A OD1 no hydrogen 2.887 N/A HIS 409.A NE2 TYR 512.A OH no hydrogen 2.742 N/A ASN 410.A N ILE 407.A O no hydrogen 3.135 N/A VAL 411.A N ILE 406.A O no hydrogen 3.100 N/A SER 412.A OG ASP 414.A OD1 no hydrogen 3.008 N/A THR 415.A N SER 412.A O no hydrogen 3.210 N/A THR 415.A OG1 ASN 410.A O no hydrogen 2.729 N/A THR 415.A OG1 SER 412.A O no hydrogen 3.135 N/A LEU 416.A N PRO 413.A O no hydrogen 3.426 N/A ASN 417.A N LYS 433.A O no hydrogen 2.681 N/A CYS 421.A N TYR 424.A OH no hydrogen 3.227 N/A LYS 422.A N ASP 437.A OD1 no hydrogen 2.750 N/A ASN 423.A N ASP 437.A OD2 no hydrogen 3.254 N/A TYR 424.A OH LEU 418.A O no hydrogen 2.822 N/A ASP 425.A N PHE 434.A O no hydrogen 2.950 N/A ALA 427.A N HIS 432.A O no hydrogen 2.807 N/A LYS 433.A N ASN 417.A OD1 no hydrogen 3.050 N/A PHE 434.A N ASP 425.A O no hydrogen 2.981 N/A CYS 435.A N THR 415.A O no hydrogen 2.976 N/A LYS 436.A N ASN 423.A O no hydrogen 2.897 N/A LYS 436.A NZ THR 408.A O no hydrogen 3.295 N/A LYS 436.A NZ ASP 425.A OD1 no hydrogen 2.721 N/A LYS 436.A NZ ASP 425.A OD2 no hydrogen 3.496 N/A PHE 441.A N ASP 414.A OD2 no hydrogen 3.205 N/A SER 444.A N GLY 440.A O no hydrogen 2.714 N/A LEU 445.A N PHE 441.A O no hydrogen 3.243 N/A LEU 446.A N ILE 442.A O no hydrogen 2.856 N/A GLY 447.A N PRO 443.A O no hydrogen 2.829 N/A HIS 448.A N SER 444.A O no hydrogen 3.040 N/A LEU 449.A N LEU 445.A O no hydrogen 2.961 N/A LEU 450.A N LEU 446.A O no hydrogen 3.019 N/A GLU 451.A N GLY 447.A O no hydrogen 2.980 N/A GLU 452.A N HIS 448.A O no hydrogen 2.851 N/A ARG 453.A N LEU 449.A O no hydrogen 3.108 N/A ARG 453.A N LEU 450.A O no hydrogen 3.108 N/A GLN 454.A N LEU 450.A O no hydrogen 3.150 N/A LYS 455.A N GLU 451.A O no hydrogen 3.089 N/A ILE 456.A N GLU 452.A O no hydrogen 3.271 N/A LYS 457.A N ARG 453.A O no hydrogen 2.885 N/A THR 458.A N GLN 454.A O no hydrogen 2.746 N/A THR 458.A N LYS 455.A O no hydrogen 3.094 N/A THR 458.A OG1 GLN 454.A O no hydrogen 3.167 N/A LYS 459.A N LYS 455.A O no hydrogen 2.830 N/A LYS 459.A NZ GLU 467.A OE2 no hydrogen 2.894 N/A THR 462.A OG1 LYS 459.A O no hydrogen 3.434 N/A THR 462.A OG1 GLU 467.A OE1 no hydrogen 3.377 N/A GLU 467.A N ASP 464.A OD1 no hydrogen 2.773 N/A LYS 468.A N ASP 464.A O no hydrogen 2.754 N/A ILE 469.A N ILE 466.A O no hydrogen 3.240 N/A LEU 470.A N ILE 466.A O no hydrogen 2.904 N/A LEU 471.A N GLU 467.A O no hydrogen 2.859 N/A ASP 472.A N ILE 469.A O no hydrogen 2.927 N/A TYR 473.A N ILE 469.A O no hydrogen 3.127 N/A TYR 473.A N LEU 470.A O no hydrogen 3.138 N/A ARG 474.A N LEU 470.A O no hydrogen 3.119 N/A GLN 475.A N LEU 471.A O no hydrogen 3.013 N/A LYS 476.A N ASP 472.A O no hydrogen 3.169 N/A ALA 477.A N TYR 473.A O no hydrogen 2.899 N/A ILE 478.A N ARG 474.A O no hydrogen 3.422 N/A LYS 479.A N GLN 475.A O no hydrogen 3.067 N/A LEU 480.A N LYS 476.A O no hydrogen 2.890 N/A LEU 481.A N ALA 477.A O no hydrogen 2.928 N/A ALA 482.A N ILE 478.A O no hydrogen 2.858 N/A ASN 483.A N LYS 479.A O no hydrogen 3.056 N/A SER 484.A N LEU 481.A O no hydrogen 3.054 N/A SER 484.A OG LEU 480.A O no hydrogen 3.052 N/A PHE 485.A N ALA 482.A O no hydrogen 3.004 N/A TYR 486.A OH THR 506.A OG1 no hydrogen 2.506 N/A TYR 488.A N SER 484.A O no hydrogen 3.141 N/A TYR 488.A OH GLU 346.A OE2 no hydrogen 2.351 N/A TYR 489.A N PHE 485.A O no hydrogen 3.167 N/A TYR 489.A N TYR 486.A O no hydrogen 3.229 N/A TYR 489.A OH VAL 411.A O no hydrogen 2.669 N/A GLY 490.A N GLY 487.A O no hydrogen 3.141 N/A TYR 491.A N TYR 488.A O no hydrogen 2.702 N/A ALA 494.A N TYR 491.A O no hydrogen 2.875 N/A ARG 495.A N GLU 346.A OE2 no hydrogen 2.719 N/A ARG 495.A NH1 PRO 361.A O no hydrogen 2.545 N/A ARG 495.A NH2 ASP 112.A OD1 no hydrogen 2.617 N/A TRP 496.A N TYR 488.A OH no hydrogen 2.998 N/A CYS 498.A N TYR 489.A O no hydrogen 3.057 N/A CYS 498.A SG GLU 500.A OE2 no hydrogen 3.801 N/A LYS 499.A NZ SER 376.A O no hydrogen 2.860 N/A GLU 500.A N GLU 500.A OE2 no hydrogen 2.682 N/A ALA 502.A N CYS 498.A O no hydrogen 3.222 N/A GLU 503.A N LYS 499.A O no hydrogen 2.999 N/A SER 504.A N GLU 500.A O no hydrogen 2.842 N/A SER 504.A OG GLU 500.A O no hydrogen 2.587 N/A VAL 505.A N CYS 501.A O no hydrogen 2.920 N/A THR 506.A N ALA 502.A O no hydrogen 3.142 N/A THR 506.A OG1 THR 378.A OG1 no hydrogen 3.227 N/A THR 506.A OG1 TYR 486.A OH no hydrogen 2.506 N/A THR 506.A OG1 ALA 502.A O no hydrogen 3.215 N/A ALA 507.A N GLU 503.A O no hydrogen 2.796 N/A TRP 508.A N SER 504.A O no hydrogen 2.884 N/A GLY 509.A N VAL 505.A O no hydrogen 2.869 N/A ARG 510.A N THR 506.A O no hydrogen 2.870 N/A ARG 510.A NE GLN 429.A OE1 no hydrogen 2.885 N/A ARG 510.A NH2 GLN 429.A OE1 no hydrogen 2.409 N/A LYS 511.A N ALA 507.A O no hydrogen 2.835 N/A TYR 512.A N TRP 508.A O no hydrogen 2.962 N/A TYR 512.A OH HIS 409.A NE2 no hydrogen 2.742 N/A ILE 513.A N GLY 509.A O no hydrogen 2.986 N/A GLU 514.A N ARG 510.A O no hydrogen 2.824 N/A LEU 515.A N LYS 511.A O no hydrogen 2.916 N/A VAL 516.A N TYR 512.A O no hydrogen 2.948 N/A TRP 517.A N ILE 513.A O no hydrogen 2.911 N/A TRP 517.A NE1 GLU 521.A OE2 no hydrogen 3.207 N/A LYS 518.A N GLU 514.A O no hydrogen 2.727 N/A LYS 518.A NZ GLU 522.A OE1 no hydrogen 3.569 N/A LYS 518.A NZ GLU 522.A OE2 no hydrogen 2.814 N/A GLU 519.A N LEU 515.A O no hydrogen 3.004 N/A LEU 520.A N VAL 516.A O no hydrogen 2.869 N/A LEU 520.A N TRP 517.A O no hydrogen 3.250 N/A GLU 521.A N TRP 517.A O no hydrogen 3.286 N/A GLU 521.A N LYS 518.A O no hydrogen 3.324 N/A GLU 522.A N LYS 518.A O no hydrogen 2.947 N/A LYS 523.A N GLU 519.A O no hydrogen 3.213 N/A PHE 526.A N LEU 520.A O no hydrogen 3.026 N/A LYS 527.A N THR 539.A O no hydrogen 2.772 N/A VAL 528.A N GLU 521.A OE1 no hydrogen 2.695 N/A LEU 529.A N TYR 537.A O no hydrogen 2.684 N/A TYR 530.A N TYR 537.A O no hydrogen 3.465 N/A ASP 532.A N GLY 535.A O no hydrogen 2.885 N/A GLY 535.A N ASP 532.A O no hydrogen 2.751 N/A LEU 536.A N LEU 396.A O no hydrogen 2.821 N/A TYR 537.A N TYR 530.A O no hydrogen 2.770 N/A ALA 538.A N VAL 394.A O no hydrogen 2.843 N/A THR 539.A N LYS 527.A O no hydrogen 3.111 N/A THR 539.A OG1 GLU 391.A O no hydrogen 3.041 N/A THR 539.A OG1 ASN 392.A O no hydrogen 2.636 N/A GLY 543.A N ILE 540.A O no hydrogen 2.823 N/A ILE 548.A N GLU 544.A O no hydrogen 3.126 N/A LYS 549.A N SER 545.A O no hydrogen 3.258 N/A LYS 549.A NZ GLU 546.A OE2 no hydrogen 3.325 N/A LYS 549.A NZ GLU 591.A OE1 no hydrogen 3.267 N/A LYS 549.A NZ GLU 591.A OE2 no hydrogen 2.631 N/A LYS 550.A N GLU 546.A O no hydrogen 2.859 N/A LYS 551.A N GLU 547.A O no hydrogen 2.759 N/A LYS 551.A NZ GLU 554.A OE2 no hydrogen 3.269 N/A ALA 552.A N ILE 548.A O no hydrogen 2.671 N/A LEU 553.A N LYS 549.A O no hydrogen 3.288 N/A GLU 554.A N LYS 550.A O no hydrogen 3.043 N/A PHE 555.A N LYS 551.A O no hydrogen 2.765 N/A VAL 556.A N ALA 552.A O no hydrogen 3.117 N/A LYS 557.A N LEU 553.A O no hydrogen 3.421 N/A TYR 558.A N GLU 554.A O no hydrogen 3.142 N/A TYR 558.A OH GLU 519.A OE1 no hydrogen 3.402 N/A ILE 559.A N PHE 555.A O no hydrogen 2.743 N/A ASN 560.A N VAL 556.A O no hydrogen 2.817 N/A ASN 560.A ND2 LEU 569.A O no hydrogen 2.900 N/A SER 561.A N TYR 558.A O no hydrogen 3.343 N/A SER 561.A OG TYR 558.A O no hydrogen 2.637 N/A LYS 562.A NZ GLU 519.A OE1 no hydrogen 2.503 N/A LYS 562.A NZ TYR 558.A OH no hydrogen 2.564 N/A LEU 563.A N ILE 559.A O no hydrogen 2.835 N/A LEU 567.A N PRO 564.A O no hydrogen 3.007 N/A LEU 569.A N ASN 560.A OD1 no hydrogen 2.659 N/A GLU 570.A N ASP 397.A O no hydrogen 2.975 N/A GLU 572.A N TYR 395.A O no hydrogen 3.092 N/A GLY 573.A N TYR 395.A O no hydrogen 3.183 N/A TYR 575.A N ILE 393.A O no hydrogen 2.692 N/A ARG 577.A NE LEU 623.A O no hydrogen 3.176 N/A ARG 577.A NH2 LEU 623.A O no hydrogen 3.335 N/A GLY 578.A N TRP 390.A O no hydrogen 3.009 N/A PHE 579.A N ALA 587.A O no hydrogen 2.860 N/A VAL 581.A N ARG 585.A O no hydrogen 3.011 N/A THR 582.A N ARG 585.A O no hydrogen 3.265 N/A LYS 583.A NZ GLU 384.A OE2 no hydrogen 3.030 N/A LYS 584.A N TYR 530.A OH no hydrogen 2.673 N/A LYS 584.A NZ ASP 532.A OD2 no hydrogen 3.305 N/A ARG 585.A N THR 582.A O no hydrogen 2.876 N/A ARG 585.A NE THR 582.A OG1 no hydrogen 3.000 N/A ARG 585.A NH1 GLY 599.A O no hydrogen 3.231 N/A TYR 586.A N ARG 598.A O no hydrogen 2.856 N/A ALA 587.A N PHE 579.A O no hydrogen 2.977 N/A VAL 588.A N ILE 596.A O no hydrogen 2.810 N/A ILE 589.A N ARG 577.A O no hydrogen 3.176 N/A ASP 590.A N LYS 594.A O no hydrogen 3.098 N/A GLY 593.A N ASP 590.A O no hydrogen 2.919 N/A LYS 594.A N ASP 590.A OD1 no hydrogen 2.684 N/A ILE 596.A N VAL 588.A O no hydrogen 2.862 N/A THR 597.A OG1 TYR 586.A O no hydrogen 2.983 N/A ARG 598.A N TYR 586.A O no hydrogen 2.902 N/A ILE 602.A N GLN 615.A OE1 no hydrogen 3.023 N/A TRP 607.A N ARG 604.A O no hydrogen 3.014 N/A SER 608.A OG LYS 651.A O no hydrogen 3.566 N/A ILE 610.A N LYS 651.A O no hydrogen 3.120 N/A ALA 611.A N SER 608.A O no hydrogen 3.225 N/A LYS 612.A N SER 608.A O no hydrogen 3.125 N/A LYS 612.A NZ ILE 602.A O no hydrogen 3.110 N/A GLU 613.A N GLU 609.A O no hydrogen 2.788 N/A THR 614.A N ILE 610.A O no hydrogen 3.277 N/A THR 614.A OG1 ILE 610.A O no hydrogen 2.835 N/A GLN 615.A N ALA 611.A O no hydrogen 3.161 N/A GLN 615.A NE2 LEU 600.A O no hydrogen 3.144 N/A GLN 615.A NE2 ALA 731.A O no hydrogen 2.732 N/A ALA 616.A N LYS 612.A O no hydrogen 3.133 N/A ARG 617.A N GLU 613.A O no hydrogen 2.898 N/A VAL 618.A N THR 614.A O no hydrogen 2.800 N/A LEU 619.A N GLN 615.A O no hydrogen 2.879 N/A GLU 620.A N ALA 616.A O no hydrogen 2.966 N/A THR 621.A N ARG 617.A O no hydrogen 3.101 N/A THR 621.A OG1 ARG 617.A O no hydrogen 2.943 N/A ILE 622.A N VAL 618.A O no hydrogen 3.249 N/A LEU 623.A N LEU 619.A O no hydrogen 3.051 N/A LYS 624.A N GLU 620.A O no hydrogen 2.737 N/A LYS 624.A NZ GLU 620.A OE2 no hydrogen 3.361 N/A HIS 625.A N THR 621.A O no hydrogen 2.986 N/A ALA 631.A N ASP 627.A O no hydrogen 3.312 N/A VAL 632.A N VAL 628.A O no hydrogen 2.816 N/A ARG 633.A N GLU 629.A O no hydrogen 3.101 N/A ILE 634.A N GLU 630.A O no hydrogen 3.123 N/A VAL 635.A N ALA 631.A O no hydrogen 3.062 N/A LYS 636.A N VAL 632.A O no hydrogen 2.880 N/A GLU 637.A N ARG 633.A O no hydrogen 3.034 N/A VAL 638.A N ILE 634.A O no hydrogen 2.972 N/A ILE 639.A N VAL 635.A O no hydrogen 2.801 N/A GLN 640.A N LYS 636.A O no hydrogen 2.843 N/A LYS 641.A N GLU 637.A O no hydrogen 2.942 N/A LEU 642.A N VAL 638.A O no hydrogen 2.970 N/A ALA 643.A N ILE 639.A O no hydrogen 3.160 N/A ASN 644.A N GLN 640.A O no hydrogen 2.814 N/A GLU 646.A N LYS 641.A O no hydrogen 2.797 N/A GLU 650.A N GLU 650.A OE2 no hydrogen 2.446 N/A LYS 651.A N PRO 648.A O no hydrogen 3.138 N/A LYS 651.A NZ GLU 613.A OE1 no hydrogen 2.629 N/A LYS 651.A NZ GLU 613.A OE2 no hydrogen 3.429 N/A LEU 652.A N PRO 649.A O no hydrogen 3.000 N/A ALA 653.A N GLU 650.A O no hydrogen 3.035 N/A ILE 654.A N TYR 692.A O no hydrogen 3.092 N/A THR 659.A N TYR 665.A OH no hydrogen 2.716 N/A GLU 664.A N PRO 661.A O no hydrogen 3.161 N/A ALA 673.A N GLY 669.A O no hydrogen 3.195 N/A ALA 673.A N PRO 670.A O no hydrogen 3.070 N/A VAL 674.A N PRO 670.A O no hydrogen 2.768 N/A LYS 676.A N VAL 672.A O no hydrogen 3.424 N/A LYS 677.A N ALA 673.A O no hydrogen 3.037 N/A LEU 678.A N ALA 675.A O no hydrogen 2.828 N/A ALA 679.A N ALA 675.A O no hydrogen 2.805 N/A ALA 680.A N LYS 676.A O no hydrogen 3.312 N/A GLY 682.A N ALA 679.A O no hydrogen 2.759 N/A ILE 690.A N GLU 656.A O no hydrogen 2.564 N/A TYR 692.A N ILE 654.A O no hydrogen 3.024 N/A ILE 693.A N ILE 706.A O no hydrogen 3.091 N/A VAL 694.A N TYR 723.A OH no hydrogen 3.006 N/A LEU 695.A N ARG 704.A O no hydrogen 3.031 N/A ARG 696.A N LYS 717.A O no hydrogen 2.716 N/A ARG 696.A NH2 TYR 718.A O no hydrogen 3.552 N/A GLY 697.A N LEU 695.A O no hydrogen 2.525 N/A ARG 704.A N ILE 701.A O no hydrogen 2.696 N/A ALA 705.A N SER 702.A O no hydrogen 3.338 N/A ILE 706.A N ILE 693.A O no hydrogen 2.983 N/A ALA 708.A N GLY 691.A O no hydrogen 2.958 N/A TYR 718.A OH LEU 642.A O no hydrogen 2.714 N/A ASP 719.A N VAL 694.A O no hydrogen 3.256 N/A TYR 722.A N ASP 719.A OD1 no hydrogen 2.984 N/A TYR 723.A N ASP 719.A O no hydrogen 3.284 N/A TYR 723.A OH LEU 652.A O no hydrogen 2.868 N/A ILE 724.A N ALA 720.A O no hydrogen 2.923 N/A ILE 724.A N GLU 721.A O no hydrogen 3.056 N/A GLU 725.A N GLU 721.A O no hydrogen 2.613 N/A ASN 726.A N TYR 722.A O no hydrogen 2.694 N/A VAL 728.A N TYR 723.A O no hydrogen 2.960 N/A LEU 729.A N ILE 724.A O no hydrogen 3.028 N/A VAL 732.A N VAL 728.A O no hydrogen 3.020 N/A LEU 733.A N LEU 729.A O no hydrogen 2.778 N/A ARG 734.A NE LEU 600.A O no hydrogen 2.870 N/A ARG 734.A NH2 LEU 600.A O no hydrogen 3.142 N/A ILE 735.A N VAL 732.A O no hydrogen 3.245 N/A LEU 736.A N VAL 732.A O no hydrogen 3.117 N/A GLU 737.A N LEU 733.A O no hydrogen 3.140 N/A PHE 739.A N LEU 736.A O no hydrogen 2.981 N/A GLY 740.A N GLU 737.A O no hydrogen 2.913 N/A TYR 741.A N LEU 736.A O no hydrogen 3.318 N/A ARG 742.A N ASP 745.A OD2 no hydrogen 2.507 N/A ARG 742.A NE TYR 741.A O no hydrogen 2.931 N/A ASP 745.A N ARG 742.A O no hydrogen 2.865 N/A LEU 746.A N LYS 743.A O no hydrogen 2.854 N/A ARG 747.A N LYS 743.A O no hydrogen 2.912 N/A ARG 747.A NE GLU 725.A OE1 no hydrogen 3.489 N/A ARG 747.A NE GLU 725.A OE2 no hydrogen 3.056 N/A ARG 747.A NH1 GLU 744.A OE2 no hydrogen 3.173 N/A GLN 753.A NE2 VAL 754.A O no hydrogen 2.589 N/A THR 757.A OG1 LYS 763.A O no hydrogen 3.435 N/A TRP 759.A N LEU 756.A O no hydrogen 2.742 N/A LEU 760.A N THR 757.A O no hydrogen 3.405 N/A