Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wpe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LEU 127.A O no hydrogen 3.557 N/A VAL 3.A N TYR 125.A O no hydrogen 2.836 N/A ARG 4.A N ARG 23.A O no hydrogen 2.838 N/A ARG 4.A NH1 PHE 156.A O no hydrogen 2.910 N/A CYS 5.A N GLY 123.A O no hydrogen 3.174 N/A CYS 5.A SG GLY 123.A O no hydrogen 3.345 N/A ILE 6.A N LYS 21.A O no hydrogen 2.699 N/A ASN 7.A N LYS 21.A O no hydrogen 3.113 N/A ASN 7.A ND2 GLY 325.A O no hydrogen 2.787 N/A TRP 8.A NE1 PRO 121.A O no hydrogen 3.231 N/A PHE 9.A N TYR 19.A O no hydrogen 2.933 N/A SER 11.A N PHE 17.A O no hydrogen 2.584 N/A SER 11.A OG GLU 293.A OE2 no hydrogen 2.653 N/A ARG 16.A NH1 ASN 109.A OD1 no hydrogen 2.742 N/A ARG 16.A NH2 ASN 109.A OD1 no hydrogen 2.874 N/A LEU 18.A N PHE 34.A O no hydrogen 2.859 N/A TYR 19.A N PHE 9.A O no hydrogen 2.731 N/A TYR 19.A OH ASP 290.A OD1 no hydrogen 2.576 N/A TYR 19.A OH ASP 290.A OD2 no hydrogen 3.072 N/A LEU 20.A N ILE 32.A O no hydrogen 2.795 N/A LYS 21.A N ASN 7.A O no hydrogen 2.516 N/A LYS 21.A NZ PHE 256.A O no hydrogen 2.425 N/A SER 22.A N VAL 30.A O no hydrogen 2.871 N/A SER 22.A OG VAL 30.A O no hydrogen 2.373 N/A ARG 23.A N ARG 4.A O no hydrogen 3.169 N/A ARG 23.A NE THR 29.A OG1 no hydrogen 2.995 N/A ARG 23.A NH1 ASP 257.A OD1 no hydrogen 3.382 N/A ARG 23.A NH1 ASP 257.A OD2 no hydrogen 2.357 N/A ARG 23.A NH2 THR 29.A OG1 no hydrogen 3.007 N/A ARG 23.A NH2 ASP 257.A OD1 no hydrogen 2.575 N/A CYS 24.A N GLU 28.A O no hydrogen 3.453 N/A CYS 24.A SG ASP 2.A O no hydrogen 3.295 N/A ARG 25.A NE ASP 2.A OD2 no hydrogen 2.878 N/A ARG 25.A NH2 ASP 2.A OD2 no hydrogen 3.494 N/A GLU 28.A N ASN 26.A OD1 no hydrogen 3.461 N/A VAL 30.A N SER 22.A O no hydrogen 2.558 N/A PHE 31.A N GLY 138.A O no hydrogen 2.698 N/A ILE 32.A N LEU 20.A O no hydrogen 3.120 N/A ARG 33.A N TYR 140.A O no hydrogen 2.552 N/A ARG 33.A NE HIS 141.A ND1 no hydrogen 3.630 N/A ARG 33.A NH1 ASP 290.A OD2 no hydrogen 2.514 N/A PHE 34.A N LEU 18.A O no hydrogen 2.472 N/A HIS 36.A N ARG 16.A O no hydrogen 3.340 N/A PHE 38.A N GLU 93.A O no hydrogen 2.462 N/A TYR 40.A N ILE 91.A O no hydrogen 2.975 N/A VAL 42.A N TRP 89.A O no hydrogen 3.511 N/A TYR 47.A N THR 43.A O no hydrogen 2.990 N/A GLN 48.A N ASP 44.A O no hydrogen 2.909 N/A SER 49.A N GLU 45.A O no hydrogen 2.956 N/A SER 49.A N ILE 46.A O no hydrogen 3.197 N/A SER 49.A OG GLU 45.A O no hydrogen 2.989 N/A SER 51.A OG LEU 50.A O no hydrogen 2.731 N/A PHE 55.A N GLU 93.A OE2 no hydrogen 3.069 N/A ARG 58.A N LEU 90.A O no hydrogen 3.306 N/A ARG 58.A NH1 GLU 92.A OE2 no hydrogen 3.297 N/A ARG 58.A NH1 ASN 117.A OD1 no hydrogen 2.953 N/A ARG 58.A NH2 ASN 117.A OD1 no hydrogen 3.499 N/A MET 60.A N MET 88.A O no hydrogen 2.742 N/A LYS 62.A NZ VAL 85.A O no hydrogen 2.976 N/A MET 63.A N ALA 86.A O no hydrogen 2.730 N/A ARG 64.A N LYS 514.A O no hydrogen 2.974 N/A THR 65.A N SER 84.A O no hydrogen 3.148 N/A ILE 66.A N ILE 516.A O no hydrogen 2.659 N/A ASP 67.A N LYS 82.A O no hydrogen 3.047 N/A ILE 68.A N VAL 518.A O no hydrogen 2.669 N/A ASP 69.A N ASP 67.A O no hydrogen 3.035 N/A THR 71.A OG1 GLU 521.A OE2 no hydrogen 3.152 N/A SER 73.A N VAL 571.A O no hydrogen 2.684 N/A SER 73.A OG ASN 75.A O no hydrogen 3.029 N/A SER 73.A OG VAL 571.A O no hydrogen 3.162 N/A ASP 77.A N ASN 75.A OD1 no hydrogen 3.345 N/A ARG 81.A NE LEU 568.A O no hydrogen 2.595 N/A ARG 81.A NH1 ASP 67.A O no hydrogen 3.058 N/A ARG 81.A NH1 ASP 69.A O no hydrogen 2.914 N/A ARG 81.A NH2 ASP 69.A O no hydrogen 3.408 N/A ARG 81.A NH2 LEU 568.A O no hydrogen 2.998 N/A CYS 83.A SG ARG 81.A O no hydrogen 3.868 N/A SER 84.A N THR 65.A O no hydrogen 2.947 N/A SER 84.A OG THR 65.A O no hydrogen 3.542 N/A ALA 86.A N MET 63.A O no hydrogen 3.235 N/A MET 88.A N GLY 61.A O no hydrogen 2.943 N/A TRP 89.A N VAL 42.A O no hydrogen 3.381 N/A LEU 90.A N ARG 58.A O no hydrogen 2.987 N/A ILE 91.A N TYR 40.A O no hydrogen 2.714 N/A GLU 92.A N ASN 56.A O no hydrogen 2.916 N/A GLU 93.A N PHE 38.A O no hydrogen 2.892 N/A ARG 97.A N TYR 40.A OH no hydrogen 2.680 N/A ARG 97.A NH1 PRO 52.A O no hydrogen 3.387 N/A ARG 97.A NH2 LEU 50.A O no hydrogen 3.197 N/A THR 103.A N VAL 41.A O no hydrogen 2.677 N/A THR 103.A OG1 VAL 41.A O no hydrogen 3.101 N/A SER 111.A OG VAL 487.A O no hydrogen 3.353 N/A TRP 112.A N PHE 108.A O no hydrogen 3.126 N/A PHE 113.A N ASN 109.A O no hydrogen 2.878 N/A TYR 114.A N ILE 110.A O no hydrogen 2.954 N/A ILE 115.A N SER 111.A O no hydrogen 2.936 N/A SER 116.A N TRP 112.A O no hydrogen 3.339 N/A SER 116.A OG TRP 112.A O no hydrogen 3.083 N/A ASN 117.A ND2 PHE 113.A O no hydrogen 2.646 N/A GLY 118.A N ILE 115.A O no hydrogen 3.173 N/A ILE 119.A N TYR 114.A O no hydrogen 2.636 N/A SER 120.A N TYR 125.A OH no hydrogen 2.455 N/A SER 120.A OG ASP 122.A O no hydrogen 2.953 N/A TYR 125.A N VAL 3.A O no hydrogen 3.041 N/A SER 126.A N LYS 151.A O no hydrogen 3.144 N/A SER 126.A OG ASP 2.A OD1 no hydrogen 2.300 N/A LEU 127.A N MET 1.A O no hydrogen 2.775 N/A TYR 131.A N ASP 128.A O no hydrogen 3.261 N/A LEU 132.A N GLU 129.A O no hydrogen 3.368 N/A THR 133.A N HIS 141.A O no hydrogen 3.005 N/A LYS 134.A NZ ASN 136.A O no hydrogen 3.545 N/A ILE 135.A N CYS 139.A O no hydrogen 3.255 N/A ASN 136.A ND2 ASP 290.A O no hydrogen 2.908 N/A CYS 139.A N ASN 136.A O no hydrogen 3.400 N/A CYS 139.A SG PHE 31.A O no hydrogen 3.962 N/A CYS 139.A SG TYR 140.A O no hydrogen 3.752 N/A TYR 140.A N PHE 31.A O no hydrogen 2.531 N/A HIS 141.A N THR 133.A O no hydrogen 2.734 N/A HIS 141.A ND1 ARG 33.A O no hydrogen 2.835 N/A CYS 142.A N ARG 33.A O no hydrogen 2.747 N/A CYS 142.A SG ASP 144.A O no hydrogen 3.308 N/A ASN 147.A ND2 ASP 144.A OD2 no hydrogen 2.481 N/A CYS 148.A N ASP 144.A O no hydrogen 3.365 N/A CYS 148.A SG ASP 128.A O no hydrogen 3.900 N/A PHE 149.A N PRO 145.A O no hydrogen 3.344 N/A LYS 151.A NZ SER 126.A OG no hydrogen 3.410 N/A ARG 155.A NH1 ASP 122.A OD2 no hydrogen 3.392 N/A ARG 155.A NH2 ASP 122.A OD1 no hydrogen 2.717 N/A ARG 155.A NH2 ASP 122.A OD2 no hydrogen 2.865 N/A ARG 155.A NH2 ASP 480.A OD2 no hydrogen 2.998 N/A ARG 160.A NE GLU 476.A OE1 no hydrogen 3.270 N/A SER 161.A N ASP 257.A OD2 no hydrogen 3.116 N/A TYR 162.A N ILE 191.A O no hydrogen 2.786 N/A LEU 163.A N TYR 258.A O no hydrogen 2.925 N/A PHE 164.A N CYS 189.A O no hydrogen 3.272 N/A LEU 165.A N VAL 260.A O no hydrogen 3.325 N/A ASP 166.A N SER 187.A O no hydrogen 3.242 N/A ILE 167.A N ASP 268.A OD2 no hydrogen 2.936 N/A GLU 168.A N HIS 185.A O no hydrogen 2.491 N/A HIS 170.A N PRO 182.A O no hydrogen 3.258 N/A SER 177.A N ASN 181.A OD1 no hydrogen 3.104 N/A ILE 180.A N SER 177.A O no hydrogen 2.958 N/A ASN 181.A N SER 177.A O no hydrogen 2.680 N/A ASN 181.A ND2 HIS 170.A ND1 no hydrogen 3.524 N/A ASN 181.A ND2 ASP 172.A OD1 no hydrogen 3.466 N/A ILE 183.A N GLU 241.A OE2 no hydrogen 2.668 N/A SER 184.A N GLU 168.A O no hydrogen 2.794 N/A SER 184.A OG GLU 168.A O no hydrogen 2.676 N/A HIS 185.A N GLU 168.A O no hydrogen 2.986 N/A THR 186.A N LEU 202.A O no hydrogen 3.104 N/A THR 186.A OG1 TYR 188.A OH no hydrogen 3.015 N/A SER 187.A N ASP 166.A O no hydrogen 2.920 N/A SER 187.A OG THR 201.A OG1 no hydrogen 2.429 N/A TYR 188.A N PHE 200.A O no hydrogen 2.992 N/A TYR 188.A OH THR 186.A OG1 no hydrogen 3.015 N/A CYS 189.A N PHE 164.A O no hydrogen 2.562 N/A CYS 189.A SG GLN 467.A OE1 no hydrogen 3.298 N/A TYR 190.A N LEU 198.A O no hydrogen 2.830 N/A ILE 191.A N TYR 162.A O no hydrogen 3.022 N/A ASP 192.A N LYS 196.A O no hydrogen 3.310 N/A SER 194.A N ASP 192.A OD2 no hydrogen 3.206 N/A SER 194.A OG ASP 192.A OD1 no hydrogen 3.020 N/A SER 194.A OG ASP 192.A OD2 no hydrogen 2.738 N/A GLY 195.A N ASP 192.A O no hydrogen 3.349 N/A LYS 196.A N ASP 192.A OD2 no hydrogen 2.961 N/A LYS 196.A NZ GLU 233.A OE2 no hydrogen 2.429 N/A ARG 197.A NE GLN 467.A OE1 no hydrogen 2.553 N/A ARG 197.A NH2 GLN 467.A OE1 no hydrogen 2.925 N/A ARG 197.A NH2 TYR 468.A OH no hydrogen 3.075 N/A LEU 198.A N TYR 190.A O no hydrogen 2.655 N/A PHE 200.A N TYR 188.A O no hydrogen 3.236 N/A THR 201.A N GLU 235.A O no hydrogen 2.870 N/A THR 201.A OG1 SER 187.A OG no hydrogen 2.429 N/A LEU 202.A N THR 186.A O no hydrogen 2.660 N/A ILE 203.A N VAL 237.A O no hydrogen 2.712 N/A ASN 204.A N SER 184.A O no hydrogen 2.973 N/A ASN 204.A ND2 ILE 183.A O no hydrogen 2.687 N/A GLU 205.A N CYS 239.A O no hydrogen 2.666 N/A GLU 206.A N ASN 204.A OD1 no hydrogen 3.393 N/A LEU 208.A N GLU 205.A O no hydrogen 3.281 N/A GLU 212.A N THR 209.A OG1 no hydrogen 3.396 N/A ILE 213.A N THR 209.A O no hydrogen 2.666 N/A GLN 214.A N GLU 210.A O no hydrogen 2.904 N/A GLU 215.A N GLN 211.A O no hydrogen 2.887 N/A ALA 216.A N GLU 212.A O no hydrogen 2.918 N/A VAL 217.A N ILE 213.A O no hydrogen 2.932 N/A ASP 218.A N GLN 214.A O no hydrogen 2.885 N/A ARG 219.A N GLU 215.A O no hydrogen 2.917 N/A ARG 219.A NH1 ASN 450.A OD1 no hydrogen 3.046 N/A ARG 219.A NH2 GLU 215.A OE2 no hydrogen 3.117 N/A ARG 219.A NH2 ASN 450.A OD1 no hydrogen 3.015 N/A GLY 220.A N VAL 217.A O no hydrogen 3.005 N/A CYS 221.A N ALA 216.A O no hydrogen 3.136 N/A CYS 221.A SG ALA 216.A O no hydrogen 3.338 N/A LEU 222.A N LEU 236.A O no hydrogen 2.920 N/A ARG 223.A NE GLU 205.A OE1 no hydrogen 2.838 N/A ARG 223.A NH2 GLU 205.A OE1 no hydrogen 3.315 N/A ARG 223.A NH2 GLU 205.A OE2 no hydrogen 3.282 N/A ILE 224.A N LEU 238.A O no hydrogen 3.304 N/A GLN 225.A N GLU 229.A OE1 no hydrogen 2.675 N/A SER 226.A OG GLU 229.A OE2 no hydrogen 3.272 N/A MET 230.A N LEU 227.A O no hydrogen 3.370 N/A GLU 233.A N ASP 231.A OD1 no hydrogen 3.377 N/A ARG 234.A NH2 GLY 220.A O no hydrogen 2.811 N/A VAL 237.A N THR 201.A O no hydrogen 3.110 N/A LEU 238.A N LEU 222.A O no hydrogen 2.651 N/A CYS 239.A N ILE 203.A O no hydrogen 2.949 N/A CYS 239.A SG SER 240.A O no hydrogen 3.381 N/A GLU 241.A N GLU 206.A OE2 no hydrogen 3.340 N/A VAL 243.A N SER 240.A OG no hydrogen 3.372 N/A LEU 244.A N SER 240.A O no hydrogen 2.861 N/A LEU 245.A N GLU 241.A O no hydrogen 2.890 N/A ARG 246.A N ILE 242.A O no hydrogen 2.898 N/A ARG 246.A NE GLU 282.A OE2 no hydrogen 2.874 N/A ARG 246.A NH2 THR 280.A OG1 no hydrogen 3.308 N/A ARG 246.A NH2 GLU 282.A OE2 no hydrogen 3.125 N/A ILE 247.A N VAL 243.A O no hydrogen 2.899 N/A ALA 248.A N LEU 244.A O no hydrogen 2.954 N/A LYS 249.A N LEU 245.A O no hydrogen 2.841 N/A LYS 249.A NZ GLU 253.A OE2 no hydrogen 2.458 N/A LYS 249.A NZ LYS 283.A O no hydrogen 2.433 N/A GLN 250.A N ARG 246.A O no hydrogen 2.870 N/A LEU 251.A N ILE 247.A O no hydrogen 2.909 N/A LEU 252.A N ALA 248.A O no hydrogen 2.900 N/A GLU 253.A N LYS 249.A O no hydrogen 2.898 N/A LEU 254.A N LEU 251.A O no hydrogen 3.231 N/A PHE 256.A N LEU 254.A O no hydrogen 2.814 N/A ASP 257.A N SER 161.A OG no hydrogen 2.920 N/A VAL 259.A N ILE 327.A O no hydrogen 3.191 N/A VAL 260.A N LEU 163.A O no hydrogen 2.984 N/A THR 261.A N PHE 329.A O no hydrogen 2.875 N/A THR 261.A OG1 PHE 329.A O no hydrogen 3.532 N/A THR 261.A OG1 ASP 330.A OD1 no hydrogen 3.433 N/A GLY 264.A N ASP 330.A OD1 no hydrogen 2.867 N/A HIS 265.A ND1 PHE 318.A O no hydrogen 2.506 N/A ASN 266.A ND2 GLU 923.A OE2 no hydrogen 3.326 N/A PHE 267.A N ASN 263.A O no hydrogen 3.054 N/A LEU 269.A N GLY 264.A O no hydrogen 2.496 N/A ARG 270.A NE ASN 266.A O no hydrogen 2.891 N/A TYR 271.A N PHE 267.A O no hydrogen 2.828 N/A TYR 271.A OH ASN 181.A O no hydrogen 2.702 N/A ILE 272.A N ASP 268.A O no hydrogen 2.901 N/A THR 273.A N LEU 269.A O no hydrogen 2.968 N/A THR 273.A OG1 LEU 269.A O no hydrogen 3.044 N/A THR 273.A OG1 ARG 270.A O no hydrogen 2.822 N/A ASN 274.A N ARG 270.A O no hydrogen 2.864 N/A ARG 275.A N TYR 271.A O no hydrogen 2.892 N/A ARG 275.A NE GLU 241.A OE1 no hydrogen 3.407 N/A ARG 275.A NH1 VAL 178.A O no hydrogen 2.404 N/A LEU 276.A N ILE 272.A O no hydrogen 2.884 N/A GLU 277.A N THR 273.A O no hydrogen 2.954 N/A LEU 278.A N ASN 274.A O no hydrogen 2.940 N/A LEU 279.A N ARG 275.A O no hydrogen 2.891 N/A THR 280.A N LEU 276.A O no hydrogen 3.250 N/A THR 280.A OG1 GLU 282.A OE2 no hydrogen 3.137 N/A GLY 281.A N LEU 276.A O no hydrogen 3.118 N/A LYS 283.A NZ GLU 277.A OE1 no hydrogen 2.455 N/A ILE 285.A N GLU 253.A OE2 no hydrogen 2.999 N/A PHE 286.A N VAL 295.A O no hydrogen 2.556 N/A SER 288.A N GLU 293.A O no hydrogen 3.218 N/A SER 288.A OG GLU 293.A O no hydrogen 3.467 N/A ASP 290.A N ASP 290.A OD1 no hydrogen 2.477 N/A LYS 291.A N SER 288.A O no hydrogen 2.995 N/A LYS 291.A NZ PRO 289.A O no hydrogen 3.457 N/A VAL 295.A N PHE 286.A O no hydrogen 2.850 N/A LEU 297.A N ILE 284.A O no hydrogen 2.914 N/A ARG 302.A N THR 317.A O no hydrogen 3.034 N/A ARG 302.A NH1 HIS 319.A NE2 no hydrogen 3.416 N/A ARG 302.A NH1 GLU 495.A O no hydrogen 2.776 N/A ARG 302.A NH2 GLU 495.A O no hydrogen 2.657 N/A ASN 303.A ND2 GLU 301.A OE2 no hydrogen 2.862 N/A ASN 303.A ND2 THR 316.A OG1 no hydrogen 2.661 N/A GLN 304.A N ASN 315.A O no hydrogen 2.516 N/A GLN 304.A NE2 ASN 315.A OD1 no hydrogen 2.672 N/A GLN 304.A NE2 THR 317.A OG1 no hydrogen 3.358 N/A SER 306.A N GLY 312.A O no hydrogen 2.466 N/A LYS 308.A N SER 306.A OG no hydrogen 3.375 N/A CYS 311.A N LYS 308.A O no hydrogen 3.219 N/A GLY 312.A N ASN 899.A OD1 no hydrogen 2.574 N/A ALA 314.A N GLN 304.A O no hydrogen 2.777 N/A ASN 315.A N GLN 304.A O no hydrogen 2.872 N/A THR 316.A N LEU 924.A O no hydrogen 2.541 N/A THR 317.A N ARG 302.A O no hydrogen 2.883 N/A THR 317.A OG1 ARG 302.A O no hydrogen 3.495 N/A THR 317.A OG1 GLN 304.A OE1 no hydrogen 3.562 N/A THR 317.A OG1 HIS 319.A NE2 no hydrogen 2.720 N/A HIS 319.A NE2 THR 317.A OG1 no hydrogen 2.720 N/A ASN 322.A N VAL 320.A O no hydrogen 3.070 N/A ASN 322.A ND2 ASN 324.A OD1 no hydrogen 3.139 N/A ASN 322.A ND2 THR 326.A O no hydrogen 2.384 N/A THR 326.A N ASN 324.A OD1 no hydrogen 3.379 N/A THR 326.A OG1 PHE 256.A O no hydrogen 2.623 N/A ILE 327.A N ASP 257.A O no hydrogen 3.114 N/A PHE 329.A N VAL 259.A O no hydrogen 2.635 N/A LEU 331.A N THR 261.A O no hydrogen 2.663 N/A PHE 334.A N ASP 330.A O no hydrogen 3.476 N/A ILE 335.A N LEU 331.A O no hydrogen 2.896 N/A GLN 336.A N TYR 332.A O no hydrogen 2.964 N/A LYS 337.A N SER 333.A O no hydrogen 2.925 N/A SER 338.A N PHE 334.A O no hydrogen 2.900 N/A SER 338.A OG PHE 334.A O no hydrogen 2.902 N/A GLU 339.A N ILE 335.A O no hydrogen 2.829 N/A LYS 340.A NZ LYS 340.A O no hydrogen 3.388 N/A LYS 340.A NZ THR 831.A O no hydrogen 3.307 N/A LEU 341.A N TYR 344.A OH no hydrogen 3.324 N/A TYR 344.A OH GLU 339.A O no hydrogen 2.384 N/A LYS 345.A N SER 343.A OG no hydrogen 3.216 N/A SER 348.A OG SER 343.A O no hydrogen 2.767 N/A ILE 349.A N LYS 345.A O no hydrogen 3.036 N/A SER 350.A N LEU 346.A O no hydrogen 2.962 N/A SER 350.A OG LEU 346.A O no hydrogen 2.875 N/A LYS 351.A N ASP 347.A O no hydrogen 2.858 N/A LYS 351.A NZ GLU 399.A O no hydrogen 3.195 N/A ASN 352.A N SER 348.A O no hydrogen 2.960 N/A ALA 353.A N ILE 349.A O no hydrogen 2.863 N/A PHE 354.A N SER 350.A O no hydrogen 3.232 N/A CYS 356.A N LEU 431.A O no hydrogen 2.599 N/A CYS 356.A SG MET 357.A O no hydrogen 3.399 N/A CYS 356.A SG ASP 377.A OD2 no hydrogen 3.810 N/A MET 357.A N ASP 377.A OD2 no hydrogen 2.797 N/A GLY 358.A N TYR 429.A O no hydrogen 2.774 N/A LYS 359.A N ILE 371.A O no hydrogen 2.977 N/A VAL 360.A N ASP 427.A O no hydrogen 2.801 N/A LEU 361.A N THR 369.A O no hydrogen 2.833 N/A ARG 363.A NE LEU 424.A O no hydrogen 2.800 N/A ARG 363.A NH2 LEU 424.A O no hydrogen 2.850 N/A MET 368.A N LEU 419.A O no hydrogen 3.042 N/A THR 369.A N ASN 362.A O no hydrogen 2.887 N/A PHE 370.A N VAL 417.A O no hydrogen 2.724 N/A ILE 371.A N LYS 359.A O no hydrogen 2.847 N/A GLY 372.A N PHE 415.A O no hydrogen 2.998 N/A ASP 373.A N THR 376.A OG1 no hydrogen 2.840 N/A THR 376.A OG1 MET 357.A O no hydrogen 3.170 N/A THR 376.A OG1 ASP 373.A O no hydrogen 2.882 N/A ASP 377.A N ASP 373.A O no hydrogen 3.453 N/A LYS 379.A NZ THR 645.A OG1 no hydrogen 2.836 N/A LYS 381.A N ALA 378.A O no hydrogen 3.299 N/A THR 384.A N GLY 380.A O no hydrogen 3.160 N/A THR 384.A OG1 GLY 380.A O no hydrogen 2.863 N/A THR 384.A OG1 LYS 381.A O no hydrogen 2.648 N/A PHE 385.A N LYS 381.A O no hydrogen 2.930 N/A ALA 386.A N ALA 382.A O no hydrogen 2.859 N/A LYS 387.A N ASP 383.A O no hydrogen 2.937 N/A VAL 388.A N THR 384.A O no hydrogen 2.910 N/A LEU 389.A N PHE 385.A O no hydrogen 2.831 N/A THR 390.A OG1 ALA 386.A O no hydrogen 2.685 N/A THR 390.A OG1 LYS 387.A O no hydrogen 3.226 N/A THR 391.A N VAL 388.A O no hydrogen 3.327 N/A THR 391.A OG1 TYR 468.A OH no hydrogen 2.899 N/A ASN 393.A ND2 ARG 457.A O no hydrogen 3.160 N/A VAL 395.A N CYS 403.A O no hydrogen 2.799 N/A THR 396.A N SER 432.A O no hydrogen 2.441 N/A ASP 398.A N LYS 430.A O no hydrogen 2.596 N/A CYS 403.A N VAL 395.A O no hydrogen 2.973 N/A CYS 403.A SG SER 420.A O no hydrogen 3.293 N/A VAL 405.A N ASN 393.A O no hydrogen 2.708 N/A ILE 406.A N VAL 418.A O no hydrogen 2.774 N/A ARG 407.A NH2 GLU 367.A OE1 no hydrogen 3.372 N/A LYS 408.A NZ GLY 392.A O no hydrogen 2.701 N/A ASP 409.A N LYS 416.A O no hydrogen 2.766 N/A LEU 411.A N GLY 414.A O no hydrogen 3.008 N/A PHE 415.A N GLY 372.A O no hydrogen 3.096 N/A LYS 416.A N ASP 409.A O no hydrogen 2.925 N/A VAL 417.A N PHE 370.A O no hydrogen 2.836 N/A VAL 418.A N ARG 407.A O no hydrogen 2.765 N/A LEU 419.A N MET 368.A O no hydrogen 2.829 N/A SER 420.A N LYS 404.A O no hydrogen 2.839 N/A SER 420.A OG LYS 404.A O no hydrogen 3.189 N/A CYS 421.A N ARG 366.A O no hydrogen 3.032 N/A CYS 421.A SG PRO 422.A O no hydrogen 3.337 N/A THR 423.A OG1 GLY 364.A O no hydrogen 3.227 N/A ASN 426.A N TYR 429.A OH no hydrogen 3.408 N/A TYR 429.A N GLY 358.A O no hydrogen 2.818 N/A LEU 431.A N CYS 356.A O no hydrogen 2.447 N/A SER 432.A N THR 396.A O no hydrogen 3.065 N/A SER 432.A OG THR 396.A O no hydrogen 3.311 N/A GLY 434.A N THR 396.A OG1 no hydrogen 3.086 N/A MET 443.A N ASP 439.A O no hydrogen 3.096 N/A TYR 444.A N LEU 440.A O no hydrogen 2.892 N/A LYS 445.A N ALA 441.A O no hydrogen 2.996 N/A LYS 445.A N GLN 442.A O no hydrogen 3.012 N/A ASP 446.A N GLN 442.A O no hydrogen 3.461 N/A ALA 452.A N ASN 448.A O no hydrogen 2.890 N/A LEU 453.A N LEU 449.A O no hydrogen 2.904 N/A ASP 454.A N ASN 450.A O no hydrogen 2.915 N/A MET 455.A N ILE 451.A O no hydrogen 2.917 N/A ALA 456.A N ALA 452.A O no hydrogen 2.867 N/A ARG 457.A N LEU 453.A O no hydrogen 2.951 N/A ARG 457.A NE ASN 393.A OD1 no hydrogen 2.987 N/A ARG 457.A NH1 ASP 454.A OD1 no hydrogen 2.696 N/A TYR 458.A N ASP 454.A O no hydrogen 2.881 N/A CYS 459.A N MET 455.A O no hydrogen 2.881 N/A CYS 459.A SG ASP 166.A O no hydrogen 3.244 N/A CYS 459.A SG HIS 185.A O no hydrogen 3.568 N/A CYS 459.A SG SER 187.A OG no hydrogen 3.270 N/A ILE 460.A N ALA 456.A O no hydrogen 2.905 N/A HIS 461.A N ARG 457.A O no hydrogen 2.904 N/A ASP 462.A N TYR 458.A O no hydrogen 2.914 N/A ALA 463.A N CYS 459.A O no hydrogen 2.930 N/A CYS 464.A N ILE 460.A O no hydrogen 2.899 N/A CYS 464.A SG ILE 460.A O no hydrogen 3.248 N/A LEU 465.A N HIS 461.A O no hydrogen 2.750 N/A CYS 466.A N ASP 462.A O no hydrogen 2.991 N/A CYS 466.A SG LEU 165.A O no hydrogen 3.754 N/A CYS 466.A SG ASP 462.A O no hydrogen 3.475 N/A TYR 468.A N CYS 464.A O no hydrogen 2.870 N/A TYR 468.A OH THR 391.A OG1 no hydrogen 2.899 N/A LEU 469.A N LEU 465.A O no hydrogen 2.886 N/A TRP 470.A N CYS 466.A O no hydrogen 2.863 N/A GLU 471.A N GLN 467.A O no hydrogen 2.916 N/A TYR 472.A N TYR 468.A O no hydrogen 2.879 N/A TYR 473.A N LEU 469.A O no hydrogen 3.198 N/A TYR 473.A OH GLU 339.A OE2 no hydrogen 3.364 N/A VAL 475.A N TRP 470.A O no hydrogen 3.154 N/A THR 477.A OG1 GLY 474.A O no hydrogen 2.569 N/A LYS 478.A N GLY 474.A O no hydrogen 2.808 N/A LYS 478.A NZ TYR 473.A O no hydrogen 3.149 N/A THR 479.A N VAL 475.A O no hydrogen 2.800 N/A THR 479.A OG1 VAL 475.A O no hydrogen 2.258 N/A ASP 480.A N GLU 476.A O no hydrogen 2.936 N/A ALA 481.A N THR 477.A O no hydrogen 2.907 N/A GLY 482.A N LYS 478.A O no hydrogen 2.864 N/A ALA 483.A N THR 479.A O no hydrogen 2.889 N/A ALA 484.A N ASP 480.A O no hydrogen 2.908 N/A THR 485.A N ALA 481.A O no hydrogen 2.917 N/A THR 485.A OG1 ALA 481.A O no hydrogen 3.020 N/A THR 485.A OG1 GLU 633.A OE1 no hydrogen 2.932 N/A THR 485.A OG1 TYR 660.A OH no hydrogen 2.622 N/A TYR 486.A N GLY 482.A O no hydrogen 2.981 N/A GLN 490.A N GLN 490.A OE1 no hydrogen 2.881 N/A GLN 490.A NE2 PRO 121.A O no hydrogen 2.665 N/A SER 491.A N ASN 7.A OD1 no hydrogen 3.018 N/A SER 491.A OG ASN 7.A OD1 no hydrogen 3.210 N/A SER 491.A OG TRP 8.A O no hydrogen 3.476 N/A MET 492.A N PRO 489.A O no hydrogen 2.836 N/A ILE 502.A N ALA 498.A O no hydrogen 2.890 N/A LYS 503.A N SER 499.A O no hydrogen 3.019 N/A LYS 503.A N THR 500.A O no hydrogen 3.073 N/A LYS 503.A NZ GLU 106.A O no hydrogen 3.046 N/A LEU 506.A N ILE 502.A O no hydrogen 3.069 N/A LEU 507.A N LYS 503.A O no hydrogen 3.298 N/A LYS 508.A N GLY 504.A O no hydrogen 2.973 N/A LEU 509.A N PRO 505.A O no hydrogen 2.897 N/A LEU 510.A N LEU 506.A O no hydrogen 2.909 N/A LEU 511.A N LEU 507.A O no hydrogen 2.932 N/A GLU 512.A N LYS 508.A O no hydrogen 2.968 N/A THR 513.A N LEU 509.A O no hydrogen 2.556 N/A THR 513.A OG1 LEU 509.A O no hydrogen 2.949 N/A THR 515.A N LEU 510.A O no hydrogen 3.177 N/A THR 515.A OG1 THR 513.A O no hydrogen 3.423 N/A ILE 516.A N ARG 64.A O no hydrogen 2.657 N/A VAL 518.A N ILE 66.A O no hydrogen 3.065 N/A ARG 519.A NE ALA 677.A O no hydrogen 3.484 N/A ARG 519.A NH1 TYR 679.A O no hydrogen 3.141 N/A ARG 519.A NH2 ALA 677.A O no hydrogen 2.931 N/A ARG 519.A NH2 TYR 679.A O no hydrogen 2.395 N/A SER 520.A N ASP 69.A OD2 no hydrogen 2.883 N/A SER 520.A OG ASP 69.A OD2 no hydrogen 2.385 N/A GLU 521.A N ASP 69.A OD2 no hydrogen 2.979 N/A LYS 523.A NZ ARG 674.A O no hydrogen 3.506 N/A LYS 523.A NZ SER 676.A O no hydrogen 2.878 N/A LYS 525.A NZ GLY 672.A O no hydrogen 2.504 N/A GLU 529.A N GLU 602.A OE2 no hydrogen 2.889 N/A PHE 534.A N GLY 750.A O no hydrogen 2.631 N/A LYS 537.A NZ ASN 703.A OD1 no hydrogen 3.314 N/A LYS 537.A NZ SER 747.A O no hydrogen 3.549 N/A GLN 538.A NE2 MET 540.A O no hydrogen 3.242 N/A LYS 539.A NZ ASN 981.A O no hydrogen 2.638 N/A ASN 544.A N ASN 543.A OD1 no hydrogen 3.111 N/A ASN 544.A ND2 SER 767.A OG no hydrogen 3.202 N/A LEU 546.A N THR 757.A O no hydrogen 2.447 N/A ILE 547.A N ALA 793.A O no hydrogen 3.279 N/A PHE 548.A N VAL 755.A O no hydrogen 3.142 N/A ASP 549.A N GLU 790.A O no hydrogen 2.734 N/A TYR 550.A OH MET 694.A O no hydrogen 3.010 N/A ASN 551.A N LYS 788.A O no hydrogen 2.706 N/A ASN 551.A ND2 LYS 788.A O no hydrogen 2.826 N/A ASN 556.A N SER 552.A O no hydrogen 2.889 N/A VAL 557.A N LEU 553.A O no hydrogen 2.807 N/A CYS 558.A N TYR 554.A O no hydrogen 2.942 N/A CYS 558.A SG TYR 554.A O no hydrogen 3.318 N/A ILE 559.A N PRO 555.A O no hydrogen 2.902 N/A PHE 560.A N ASN 556.A O no hydrogen 2.876 N/A GLY 561.A N VAL 557.A O no hydrogen 2.917 N/A ASN 562.A ND2 ASP 616.A O no hydrogen 2.440 N/A ASN 562.A ND2 ILE 619.A O no hydrogen 2.603 N/A LEU 563.A N CYS 558.A O no hydrogen 2.883 N/A SER 564.A N THR 567.A OG1 no hydrogen 3.169 N/A SER 564.A OG GLU 566.A OE1 no hydrogen 2.381 N/A GLU 566.A N GLU 566.A OE1 no hydrogen 3.009 N/A THR 567.A OG1 ASN 562.A O no hydrogen 2.333 N/A THR 567.A OG1 SER 564.A O no hydrogen 3.407 N/A VAL 569.A N ILE 614.A O no hydrogen 2.669 N/A VAL 572.A N ILE 612.A O no hydrogen 2.641 N/A VAL 573.A N SER 73.A O no hydrogen 2.850 N/A SER 574.A N SER 610.A O no hydrogen 3.277 N/A SER 574.A OG SER 610.A OG no hydrogen 3.402 N/A GLU 579.A N ASN 576.A OD1 no hydrogen 3.070 N/A GLU 580.A N ASN 576.A O no hydrogen 3.227 N/A GLU 581.A N ARG 577.A O no hydrogen 2.908 N/A ILE 582.A N LEU 578.A O no hydrogen 2.967 N/A ASN 583.A N GLU 579.A O no hydrogen 2.818 N/A ASN 583.A ND2 TYR 74.A O no hydrogen 3.066 N/A ASN 583.A ND2 SER 574.A OG no hydrogen 3.381 N/A ASN 584.A N GLU 580.A O no hydrogen 2.838 N/A GLN 585.A N GLU 581.A O no hydrogen 2.978 N/A LEU 586.A N ILE 582.A O no hydrogen 2.930 N/A LEU 587.A N ASN 583.A O no hydrogen 2.786 N/A LEU 588.A N ASN 584.A O no hydrogen 2.944 N/A GLN 589.A N GLN 585.A O no hydrogen 2.981 N/A LYS 590.A N LEU 586.A O no hydrogen 2.848 N/A LYS 590.A NZ LEU 76.A O no hydrogen 2.463 N/A TYR 591.A N LEU 587.A O no hydrogen 3.264 N/A ARG 595.A NE ASP 616.A OD1 no hydrogen 2.911 N/A ARG 595.A NH2 ASP 616.A OD2 no hydrogen 2.921 N/A TYR 596.A N PRO 592.A O no hydrogen 2.943 N/A ILE 597.A N PHE 615.A O no hydrogen 3.161 N/A VAL 599.A N ALA 613.A O no hydrogen 3.056 N/A CYS 601.A N GLU 611.A O no hydrogen 2.940 N/A CYS 601.A SG VAL 599.A O no hydrogen 3.365 N/A GLU 602.A N GLU 602.A OE1 no hydrogen 2.674 N/A ARG 604.A NE GLU 611.A OE2 no hydrogen 2.661 N/A ARG 604.A NH2 GLU 611.A OE2 no hydrogen 2.848 N/A ILE 609.A N SER 574.A O no hydrogen 2.731 N/A SER 610.A N SER 574.A O no hydrogen 3.433 N/A ILE 612.A N VAL 572.A O no hydrogen 2.725 N/A ALA 613.A N VAL 599.A O no hydrogen 3.252 N/A ILE 614.A N GLY 570.A O no hydrogen 3.012 N/A PHE 615.A N ILE 597.A O no hydrogen 3.175 N/A ASP 616.A N THR 567.A O no hydrogen 2.959 N/A ARG 617.A N ARG 595.A O no hydrogen 2.673 N/A ARG 617.A NH2 TYR 723.A OH no hydrogen 2.945 N/A SER 618.A OG ASP 616.A OD1 no hydrogen 2.946 N/A SER 618.A OG ASP 616.A OD2 no hydrogen 2.903 N/A GLY 621.A N ASN 562.A OD1 no hydrogen 2.698 N/A THR 622.A N GLU 566.A OE2 no hydrogen 2.758 N/A THR 622.A OG1 GLU 566.A OE1 no hydrogen 3.213 N/A THR 622.A OG1 GLU 566.A OE2 no hydrogen 2.584 N/A ILE 623.A N SER 564.A OG no hydrogen 3.398 N/A ARG 625.A N GLY 621.A O no hydrogen 3.044 N/A ARG 625.A NH2 GLU 620.A O no hydrogen 3.156 N/A LEU 626.A N THR 622.A O no hydrogen 2.935 N/A LEU 627.A N ILE 623.A O no hydrogen 2.936 N/A ARG 628.A N PRO 624.A O no hydrogen 2.867 N/A ARG 628.A NE GLU 620.A OE1 no hydrogen 2.739 N/A THR 629.A N ARG 625.A O no hydrogen 2.984 N/A THR 629.A OG1 ARG 625.A O no hydrogen 3.340 N/A PHE 630.A N LEU 626.A O no hydrogen 2.975 N/A LEU 631.A N LEU 627.A O no hydrogen 2.886 N/A ALA 632.A N ARG 628.A O no hydrogen 2.906 N/A GLU 633.A N THR 629.A O no hydrogen 3.022 N/A ARG 634.A N PHE 630.A O no hydrogen 2.878 N/A ARG 634.A NE GLN 657.A O no hydrogen 3.212 N/A ALA 635.A N LEU 631.A O no hydrogen 2.841 N/A ARG 636.A N ALA 632.A O no hydrogen 2.960 N/A TYR 637.A N GLU 633.A O no hydrogen 2.993 N/A LYS 638.A N ARG 634.A O no hydrogen 2.818 N/A LYS 639.A N ALA 635.A O no hydrogen 2.882 N/A MET 640.A N ARG 636.A O no hydrogen 3.020 N/A LEU 641.A N TYR 637.A O no hydrogen 2.864 N/A LYS 642.A N LYS 638.A O no hydrogen 2.919 N/A GLN 643.A N LYS 639.A O no hydrogen 3.208 N/A GLN 643.A N MET 640.A O no hydrogen 3.210 N/A ALA 644.A N LEU 641.A O no hydrogen 3.415 N/A SER 647.A N LYS 379.A O no hydrogen 2.553 N/A SER 647.A OG LYS 379.A O no hydrogen 3.477 N/A LYS 650.A N SER 646.A O no hydrogen 3.026 N/A ALA 651.A N SER 647.A O no hydrogen 2.907 N/A ILE 652.A N THR 648.A O no hydrogen 2.927 N/A TYR 653.A N GLU 649.A O no hydrogen 2.886 N/A ASP 654.A N LYS 650.A O no hydrogen 2.894 N/A SER 655.A N ALA 651.A O no hydrogen 2.889 N/A SER 655.A OG ALA 651.A O no hydrogen 2.822 N/A MET 656.A N ILE 652.A O no hydrogen 2.937 N/A GLN 657.A N TYR 653.A O no hydrogen 2.910 N/A GLN 657.A NE2 ASP 654.A O no hydrogen 3.336 N/A GLN 657.A NE2 ASP 654.A OD1 no hydrogen 2.669 N/A TYR 658.A N ASP 654.A O no hydrogen 2.918 N/A THR 659.A N SER 655.A O no hydrogen 2.848 N/A THR 659.A OG1 SER 655.A O no hydrogen 2.518 N/A TYR 660.A N MET 656.A O no hydrogen 2.947 N/A TYR 660.A OH THR 485.A OG1 no hydrogen 2.622 N/A LYS 661.A N GLN 657.A O no hydrogen 2.914 N/A ILE 662.A N TYR 658.A O no hydrogen 2.870 N/A VAL 663.A N THR 659.A O no hydrogen 2.925 N/A ALA 664.A N TYR 660.A O no hydrogen 2.912 N/A ASN 665.A N LYS 661.A O no hydrogen 2.924 N/A SER 666.A N ILE 662.A O no hydrogen 2.808 N/A SER 666.A OG ILE 662.A O no hydrogen 2.565 N/A VAL 667.A N VAL 663.A O no hydrogen 2.989 N/A GLY 669.A N ASN 665.A O no hydrogen 2.899 N/A LEU 670.A N SER 666.A O no hydrogen 2.889 N/A MET 671.A N TYR 668.A O no hydrogen 3.111 N/A GLY 672.A N GLY 669.A O no hydrogen 3.096 N/A PHE 673.A N LEU 670.A O no hydrogen 3.265 N/A ARG 674.A NH1 LYS 523.A O no hydrogen 3.258 N/A SER 676.A N PHE 673.A O no hydrogen 3.172 N/A LEU 678.A N SER 676.A OG no hydrogen 3.231 N/A TYR 679.A N SER 676.A O no hydrogen 3.358 N/A TYR 679.A OH GLN 524.A O no hydrogen 2.333 N/A SER 680.A N MET 671.A O no hydrogen 3.089 N/A SER 680.A OG GLU 70.A OE2 no hydrogen 2.400 N/A SER 680.A OG SER 683.A OG no hydrogen 2.638 N/A TYR 681.A OH PRO 527.A O no hydrogen 3.419 N/A ALA 682.A N GLU 70.A OE1 no hydrogen 2.595 N/A ALA 682.A N GLU 70.A OE2 no hydrogen 3.065 N/A SER 683.A OG SER 564.A O no hydrogen 3.020 N/A SER 683.A OG SER 680.A OG no hydrogen 2.638 N/A ALA 684.A N SER 680.A O no hydrogen 2.992 N/A LYS 685.A N TYR 681.A O no hydrogen 2.909 N/A LYS 685.A NZ GLU 602.A O no hydrogen 2.404 N/A LYS 685.A NZ GLU 611.A OE1 no hydrogen 2.526 N/A SER 686.A N ALA 682.A O no hydrogen 2.813 N/A SER 686.A OG ALA 682.A O no hydrogen 2.742 N/A CYS 687.A N SER 683.A O no hydrogen 2.815 N/A CYS 687.A SG TYR 554.A O no hydrogen 3.566 N/A THR 688.A N ALA 684.A O no hydrogen 2.989 N/A THR 688.A OG1 GLU 529.A O no hydrogen 2.803 N/A THR 688.A OG1 LYS 685.A O no hydrogen 2.900 N/A SER 689.A N LYS 685.A O no hydrogen 2.903 N/A SER 689.A OG HIS 600.A O no hydrogen 2.805 N/A ILE 690.A N SER 686.A O no hydrogen 2.837 N/A GLY 691.A N CYS 687.A O no hydrogen 2.904 N/A ARG 692.A N THR 688.A O no hydrogen 2.836 N/A ARG 692.A NE GLY 530.A O no hydrogen 2.688 N/A ARG 693.A N SER 689.A O no hydrogen 2.935 N/A MET 694.A N ILE 690.A O no hydrogen 2.889 N/A ILE 695.A N GLY 691.A O no hydrogen 2.871 N/A LEU 696.A N ARG 692.A O no hydrogen 2.903 N/A TYR 697.A N ARG 693.A O no hydrogen 2.854 N/A TYR 697.A OH VAL 782.A O no hydrogen 2.643 N/A LEU 698.A N MET 694.A O no hydrogen 2.941 N/A GLU 699.A N ILE 695.A O no hydrogen 2.862 N/A SER 700.A N LEU 696.A O no hydrogen 2.834 N/A SER 700.A OG LEU 696.A O no hydrogen 2.979 N/A SER 700.A OG TYR 697.A O no hydrogen 2.976 N/A VAL 701.A N TYR 697.A O no hydrogen 2.976 N/A LEU 702.A N GLU 699.A O no hydrogen 3.245 N/A ASN 703.A N GLU 699.A O no hydrogen 2.727 N/A GLY 704.A N PHE 745.A O no hydrogen 3.202 N/A ALA 705.A N LEU 702.A O no hydrogen 3.267 N/A GLU 706.A N ARG 713.A O no hydrogen 3.051 N/A LEU 707.A N PHE 743.A O no hydrogen 2.702 N/A SER 708.A N MET 711.A O no hydrogen 2.873 N/A MET 711.A N SER 708.A O no hydrogen 2.864 N/A LEU 712.A N VAL 733.A O no hydrogen 3.293 N/A ARG 713.A N GLU 706.A O no hydrogen 2.789 N/A PHE 714.A N PRO 731.A O no hydrogen 3.418 N/A LEU 718.A N ILE 729.A O no hydrogen 3.004 N/A ASN 720.A ND2 ASP 725.A OD2 no hydrogen 3.174 N/A PHE 722.A N ASN 720.A OD1 no hydrogen 3.239 N/A ASN 730.A N ASP 728.A OD1 no hydrogen 3.356 N/A VAL 733.A N LEU 712.A O no hydrogen 3.107 N/A LYS 734.A NZ THR 735.A O no hydrogen 2.953 N/A THR 735.A OG1 GLY 710.A O no hydrogen 2.668 N/A SER 736.A N GLU 773.A OE2 no hydrogen 3.093 N/A SER 736.A OG GLU 773.A OE1 no hydrogen 2.361 N/A LEU 737.A N THR 735.A OG1 no hydrogen 3.305 N/A TYR 741.A N PRO 738.A O no hydrogen 3.369 N/A ARG 742.A NH2 ASN 709.A OD1 no hydrogen 2.851 N/A PHE 743.A N LEU 707.A O no hydrogen 2.912 N/A ARG 744.A N ASP 760.A OD1 no hydrogen 3.095 N/A ARG 744.A N ASP 760.A OD2 no hydrogen 3.202 N/A ARG 744.A NH1 GLY 704.A O no hydrogen 3.473 N/A PHE 745.A N ALA 705.A O no hydrogen 2.597 N/A ARG 746.A N GLU 758.A O no hydrogen 2.999 N/A ARG 746.A NH2 GLN 538.A OE1 no hydrogen 3.246 N/A SER 747.A N ASN 703.A OD1 no hydrogen 3.211 N/A SER 747.A OG GLU 699.A OE2 no hydrogen 2.856 N/A SER 747.A OG SER 747.A O no hydrogen 2.489 N/A VAL 748.A N PHE 756.A O no hydrogen 2.850 N/A ASP 751.A N SER 754.A O no hydrogen 2.774 N/A SER 754.A OG ASP 751.A O no hydrogen 3.131 N/A VAL 755.A N PHE 548.A O no hydrogen 2.969 N/A PHE 756.A N TYR 749.A O no hydrogen 2.487 N/A THR 757.A N LEU 546.A O no hydrogen 2.587 N/A THR 757.A OG1 LEU 546.A O no hydrogen 3.438 N/A GLU 758.A N ARG 746.A O no hydrogen 2.775 N/A ASP 760.A N ARG 744.A O no hydrogen 3.244 N/A ASP 763.A N SER 761.A OG no hydrogen 3.126 N/A SER 767.A N ASP 763.A O no hydrogen 3.218 N/A SER 767.A OG ASP 763.A O no hydrogen 2.774 N/A ILE 768.A N VAL 764.A O no hydrogen 2.899 N/A GLU 769.A N ASP 765.A O no hydrogen 2.952 N/A ILE 770.A N LYS 766.A O no hydrogen 2.896 N/A ALA 771.A N SER 767.A O no hydrogen 2.861 N/A LYS 772.A N ILE 768.A O no hydrogen 2.902 N/A LYS 772.A NZ ALA 813.A O no hydrogen 3.319 N/A GLU 773.A N GLU 769.A O no hydrogen 2.994 N/A LEU 774.A N ILE 770.A O no hydrogen 2.826 N/A GLU 775.A N ALA 771.A O no hydrogen 2.857 N/A ARG 776.A N LYS 772.A O no hydrogen 2.985 N/A ARG 776.A NH1 SER 736.A OG no hydrogen 3.228 N/A ARG 776.A NH1 GLU 773.A OE2 no hydrogen 2.932 N/A LEU 777.A N GLU 773.A O no hydrogen 2.882 N/A ILE 778.A N LEU 774.A O no hydrogen 2.856 N/A ASN 779.A N GLU 775.A O no hydrogen 2.948 N/A ASN 779.A ND2 ILE 789.A O no hydrogen 2.925 N/A SER 780.A N ARG 776.A O no hydrogen 2.931 N/A SER 780.A OG ARG 776.A O no hydrogen 3.022 N/A SER 780.A OG LEU 777.A O no hydrogen 3.065 N/A ARG 781.A N LEU 777.A O no hydrogen 2.866 N/A LEU 783.A N ILE 778.A O no hydrogen 2.751 N/A ASN 785.A ND2 TYR 723.A OH no hydrogen 3.383 N/A ASN 786.A ND2 ASN 556.A O no hydrogen 2.751 N/A PHE 787.A N PHE 784.A O no hydrogen 3.243 N/A ILE 789.A N ASN 779.A OD1 no hydrogen 2.684 N/A GLU 790.A N ASP 549.A O no hydrogen 2.525 N/A GLU 792.A N ILE 547.A O no hydrogen 3.091 N/A VAL 794.A N TYR 811.A O no hydrogen 2.459 N/A TYR 795.A N VAL 545.A O no hydrogen 3.210 N/A LYS 796.A N MET 809.A O no hydrogen 2.631 N/A ILE 799.A N THR 807.A O no hydrogen 2.547 N/A MET 800.A N LYS 539.A O no hydrogen 2.676 N/A GLN 801.A N LYS 805.A O no hydrogen 2.820 N/A GLN 801.A NE2 GLU 978.A OE2 no hydrogen 2.597 N/A SER 802.A N LYS 805.A O no hydrogen 3.286 N/A SER 802.A OG LYS 803.A O no hydrogen 3.357 N/A LYS 803.A NZ VAL 533.A O no hydrogen 2.979 N/A LYS 804.A N TYR 749.A OH no hydrogen 2.669 N/A LYS 804.A NZ ASP 751.A OD1 no hydrogen 2.782 N/A LYS 805.A N SER 802.A O no hydrogen 3.461 N/A TYR 806.A N LYS 826.A O no hydrogen 3.257 N/A THR 807.A N ILE 799.A O no hydrogen 2.999 N/A THR 808.A N ILE 824.A O no hydrogen 3.108 N/A THR 808.A OG1 LYS 796.A O no hydrogen 2.567 N/A THR 808.A OG1 MET 809.A O no hydrogen 3.252 N/A MET 809.A N LYS 796.A O no hydrogen 2.701 N/A LYS 810.A N GLU 822.A O no hydrogen 2.593 N/A TYR 811.A N VAL 794.A O no hydrogen 2.568 N/A SER 812.A OG SER 815.A OG no hydrogen 2.470 N/A SER 815.A N SER 812.A O no hydrogen 3.176 N/A SER 815.A OG SER 812.A OG no hydrogen 2.470 N/A SER 817.A OG ASP 765.A OD1 no hydrogen 3.337 N/A LYS 818.A N ASN 816.A OD1 no hydrogen 2.881 N/A GLU 822.A N LYS 810.A O no hydrogen 3.072 N/A ARG 823.A NH1 GLU 830.A OE2 no hydrogen 3.065 N/A ARG 823.A NH2 GLU 830.A OE2 no hydrogen 2.720 N/A ILE 824.A N THR 808.A O no hydrogen 2.934 N/A ASN 825.A ND2 THR 828.A OG1 no hydrogen 2.981 N/A LYS 826.A N TYR 806.A O no hydrogen 3.138 N/A LYS 826.A NZ TYR 806.A OH no hydrogen 3.338 N/A THR 828.A OG1 GLU 830.A OE1 no hydrogen 3.277 N/A GLU 830.A N GLU 830.A OE1 no hydrogen 2.715 N/A THR 831.A OG1 THR 828.A O no hydrogen 3.076 N/A ARG 832.A N THR 828.A O no hydrogen 3.295 N/A ARG 832.A NE GLY 827.A O no hydrogen 3.552 N/A PHE 838.A N LEU 889.A O no hydrogen 2.652 N/A HIS 839.A N SER 836.A OG no hydrogen 3.402 N/A LYS 840.A N SER 836.A O no hydrogen 2.922 N/A LYS 840.A NZ ASP 342.A OD1 no hydrogen 3.510 N/A ASN 841.A N LYS 837.A O no hydrogen 2.891 N/A MET 842.A N PHE 838.A O no hydrogen 2.920 N/A ILE 843.A N HIS 839.A O no hydrogen 2.898 N/A LYS 844.A N LYS 840.A O no hydrogen 2.927 N/A THR 845.A N ASN 841.A O no hydrogen 2.942 N/A THR 845.A OG1 ASN 841.A O no hydrogen 2.750 N/A TYR 846.A N MET 842.A O no hydrogen 2.890 N/A LYS 847.A N ILE 843.A O no hydrogen 2.863 N/A LYS 847.A NZ THR 807.A OG1 no hydrogen 3.230 N/A LYS 847.A NZ GLU 830.A OE1 no hydrogen 3.289 N/A LYS 847.A NZ GLU 830.A OE2 no hydrogen 3.559 N/A THR 848.A N LYS 844.A O no hydrogen 2.972 N/A THR 848.A OG1 LYS 844.A O no hydrogen 2.775 N/A ARG 849.A N THR 845.A O no hydrogen 2.896 N/A ARG 849.A NH2 SER 871.A OG no hydrogen 3.329 N/A LEU 850.A N TYR 846.A O no hydrogen 2.864 N/A SER 851.A N LYS 847.A O no hydrogen 2.909 N/A SER 851.A OG LYS 847.A O no hydrogen 3.151 N/A GLU 852.A N THR 848.A O no hydrogen 2.947 N/A MET 853.A N ARG 849.A O no hydrogen 2.941 N/A LEU 854.A N LEU 850.A O no hydrogen 2.901 N/A SER 855.A N SER 851.A O no hydrogen 2.904 N/A GLU 856.A N GLU 852.A O no hydrogen 2.947 N/A GLN 863.A N ASN 860.A OD1 no hydrogen 2.822 N/A VAL 864.A N ASN 860.A O no hydrogen 2.976 N/A CYS 865.A N SER 861.A O no hydrogen 2.954 N/A ILE 866.A N ASN 862.A O no hydrogen 2.927 N/A ASP 867.A N GLN 863.A O no hydrogen 2.886 N/A ILE 868.A N VAL 864.A O no hydrogen 2.938 N/A LEU 869.A N CYS 865.A O no hydrogen 2.907 N/A ARG 870.A N ILE 866.A O no hydrogen 2.891 N/A SER 871.A N ASP 867.A O no hydrogen 2.942 N/A SER 871.A OG TYR 846.A OH no hydrogen 3.195 N/A LEU 872.A N ILE 868.A O no hydrogen 2.852 N/A GLU 873.A N LEU 869.A O no hydrogen 2.875 N/A THR 874.A N ARG 870.A O no hydrogen 2.948 N/A THR 874.A OG1 ARG 870.A O no hydrogen 2.869 N/A ASP 875.A N SER 871.A O no hydrogen 2.919 N/A LEU 876.A N LEU 872.A O no hydrogen 2.872 N/A ARG 877.A N GLU 873.A O no hydrogen 2.936 N/A SER 878.A N THR 874.A O no hydrogen 2.909 N/A GLU 879.A N ASP 875.A O no hydrogen 2.918 N/A PHE 880.A N LEU 876.A O no hydrogen 2.881 N/A ASP 881.A N ARG 877.A O no hydrogen 2.919 N/A SER 882.A N SER 878.A O no hydrogen 2.886 N/A ARG 883.A N GLU 879.A O no hydrogen 3.087 N/A ARG 883.A NE PHE 880.A O no hydrogen 3.300 N/A SER 885.A OG GLU 879.A OE1 no hydrogen 2.744 N/A LEU 889.A N PRO 886.A O no hydrogen 3.355 N/A PHE 890.A N LEU 887.A O no hydrogen 2.953 N/A SER 893.A OG ASP 342.A O no hydrogen 3.309 N/A SER 893.A OG ARG 833.A O no hydrogen 2.773 N/A ARG 894.A N TYR 928.A O no hydrogen 3.414 N/A ARG 894.A NE TYR 928.A OH no hydrogen 2.564 N/A ARG 894.A NH1 GLU 951.A OE2 no hydrogen 3.281 N/A ARG 894.A NH2 GLU 951.A OE1 no hydrogen 2.382 N/A HIS 896.A N GLU 926.A O no hydrogen 2.827 N/A SER 898.A N MET 313.A O no hydrogen 2.966 N/A ASN 899.A ND2 LYS 308.A O no hydrogen 2.804 N/A ASN 907.A N ASN 905.A OD1 no hydrogen 3.144 N/A TYR 909.A N ASN 905.A O no hydrogen 2.860 N/A LEU 910.A N PRO 906.A O no hydrogen 2.891 N/A VAL 911.A N ASN 907.A O no hydrogen 3.009 N/A THR 912.A N MET 908.A O no hydrogen 2.918 N/A THR 912.A OG1 MET 908.A O no hydrogen 2.760 N/A THR 912.A OG1 TYR 909.A O no hydrogen 2.735 N/A GLU 913.A N TYR 909.A O no hydrogen 2.945 N/A TYR 914.A N LEU 910.A O no hydrogen 2.954 N/A TYR 914.A OH GLU 920.A OE1 no hydrogen 2.964 N/A ASN 915.A N VAL 911.A O no hydrogen 2.886 N/A ASN 915.A ND2 ILE 922.A O no hydrogen 3.524 N/A LYS 916.A N THR 912.A O no hydrogen 2.918 N/A LYS 916.A NZ GLU 913.A OE2 no hydrogen 3.460 N/A ASN 917.A N GLU 913.A O no hydrogen 2.923 N/A ASN 918.A N TYR 914.A O no hydrogen 2.932 N/A ILE 922.A N ASN 915.A OD1 no hydrogen 2.792 N/A GLY 925.A N HIS 896.A O no hydrogen 2.412 N/A GLU 926.A N GLU 923.A O no hydrogen 3.207 N/A ARG 927.A NE ASP 342.A O no hydrogen 3.218 N/A ARG 927.A NH2 SER 893.A OG no hydrogen 3.195 N/A TYR 928.A N ARG 894.A O no hydrogen 3.321 N/A PHE 930.A N LEU 892.A O no hydrogen 2.897 N/A ALA 931.A N THR 952.A O no hydrogen 2.792 N/A TYR 932.A N TYR 971.A OH no hydrogen 3.055 N/A ILE 933.A N TYR 950.A O no hydrogen 2.724 N/A CYS 934.A N ARG 965.A O no hydrogen 2.978 N/A CYS 934.A SG PRO 935.A O no hydrogen 3.247 N/A ALA 936.A N ASN 963.A O no hydrogen 2.554 N/A VAL 938.A N PRO 935.A O no hydrogen 3.181 N/A TRP 940.A NE1 MET 996.A O no hydrogen 2.653 N/A THR 941.A N GLU 969.A OE2 no hydrogen 3.339 N/A THR 941.A OG1 PRO 939.A O no hydrogen 3.446 N/A LYS 942.A NZ ARG 995.A O no hydrogen 3.247 N/A LYS 942.A NZ MET 996.A O no hydrogen 3.009 N/A LYS 948.A NZ ASN 907.A OD1 no hydrogen 3.339 N/A THR 949.A N ASN 946.A O no hydrogen 3.360 N/A THR 949.A OG1 ASN 946.A O no hydrogen 2.423 N/A TYR 950.A N ILE 947.A O no hydrogen 3.121 N/A GLU 951.A N LYS 948.A O no hydrogen 3.437 N/A THR 952.A N ALA 931.A O no hydrogen 2.625 N/A ILE 954.A N TYR 929.A O no hydrogen 2.512 N/A SER 957.A OG ASP 955.A OD1 no hydrogen 3.302 N/A SER 957.A OG ASP 955.A OD2 no hydrogen 3.227 N/A PHE 958.A N ASP 955.A O no hydrogen 3.345 N/A LYS 959.A NZ PHE 958.A O no hydrogen 3.345 N/A ARG 965.A N CYS 934.A O no hydrogen 2.803 N/A ARG 965.A NH2 GLU 969.A OE1 no hydrogen 3.209 N/A ARG 965.A NH2 GLU 969.A OE2 no hydrogen 2.964 N/A PHE 967.A N TYR 932.A O no hydrogen 2.577 N/A GLU 969.A N GLU 969.A OE1 no hydrogen 2.760 N/A TYR 971.A OH PHE 890.A O no hydrogen 2.655 N/A PHE 972.A N TYR 968.A O no hydrogen 2.901 N/A LYS 973.A N GLU 969.A O no hydrogen 2.845 N/A ARG 974.A N VAL 970.A O no hydrogen 2.978 N/A ARG 974.A NH2 TYR 932.A OH no hydrogen 2.715 N/A LEU 975.A N TYR 971.A O no hydrogen 2.937 N/A THR 976.A N PHE 972.A O no hydrogen 2.847 N/A THR 976.A OG1 PHE 972.A O no hydrogen 2.476 N/A SER 977.A N LYS 973.A O no hydrogen 2.899 N/A SER 977.A OG LYS 973.A O no hydrogen 3.234 N/A SER 977.A OG ARG 974.A O no hydrogen 2.582 N/A GLU 978.A N ARG 974.A O no hydrogen 2.967 N/A ILE 979.A N LEU 975.A O no hydrogen 2.935 N/A VAL 980.A N THR 976.A O no hydrogen 2.877 N/A ASN 981.A N SER 977.A O no hydrogen 2.927 N/A LEU 982.A N GLU 978.A O no hydrogen 2.976 N/A LEU 983.A N ILE 979.A O no hydrogen 2.659 N/A CYS 989.A N ASN 985.A O no hydrogen 3.253 N/A CYS 989.A SG ASP 984.A O no hydrogen 3.231 N/A CYS 989.A SG ASN 985.A O no hydrogen 3.263 N/A ILE 990.A N LYS 986.A O no hydrogen 2.871 N/A SER 991.A N VAL 987.A O no hydrogen 2.976 N/A PHE 992.A N LEU 988.A O no hydrogen 2.908 N/A PHE 993.A N CYS 989.A O no hydrogen 2.859 N/A GLN 994.A N ILE 990.A O no hydrogen 2.875 N/A ARG 995.A N SER 991.A O no hydrogen 2.902 N/A PHE 997.A N PHE 993.A O no hydrogen 2.838 N/A GLY 998.A N GLN 994.A O no hydrogen 3.164 N/A SER 999.A OG ARG 1000.A O no hydrogen 3.479 N/A