Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wpi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N LEU 2.A O no hydrogen 3.457 N/A CYS 8.A N PHE 5.A O no hydrogen 2.536 N/A GLU 9.A N ASP 17.A O no hydrogen 2.865 N/A LYS 11.A N LEU 15.A O no hydrogen 2.727 N/A LYS 11.A NZ ASP 17.A OD2 no hydrogen 3.443 N/A GLY 14.A N PRO 12.A O no hydrogen 2.529 N/A VAL 16.A N ARG 36.A O no hydrogen 2.826 N/A ASP 17.A N GLU 9.A O no hydrogen 2.801 N/A CYS 18.A N SER 38.A O no hydrogen 2.870 N/A ASN 19.A N ASP 17.A OD1 no hydrogen 2.823 N/A TRP 20.A N ILE 40.A O no hydrogen 2.994 N/A LEU 21.A N ASN 42.A OD1 no hydrogen 3.070 N/A LEU 23.A N ASN 42.A OD1 no hydrogen 2.687 N/A CYS 31.A SG ARG 28.A O no hydrogen 3.912 N/A SER 32.A N SER 30.A OG no hydrogen 2.815 N/A ILE 34.A N CYS 31.A O no hydrogen 3.333 N/A THR 35.A N GLY 14.A O no hydrogen 3.258 N/A ARG 36.A N GLY 14.A O no hydrogen 3.058 N/A LEU 37.A N GLN 60.A O no hydrogen 3.043 N/A SER 38.A N VAL 16.A O no hydrogen 3.084 N/A SER 38.A OG ASN 19.A OD1 no hydrogen 2.410 N/A LEU 39.A N ASN 62.A O no hydrogen 2.705 N/A ILE 40.A N ASN 19.A OD1 no hydrogen 2.914 N/A SER 41.A N LYS 64.A O no hydrogen 2.757 N/A ASN 42.A ND2 CYS 18.A O no hydrogen 2.878 N/A ASN 42.A ND2 LEU 39.A O no hydrogen 3.164 N/A ARG 43.A N LEU 23.A O no hydrogen 2.675 N/A ARG 43.A NE PHE 22.A O no hydrogen 2.851 N/A ARG 43.A NH2 PHE 22.A O no hydrogen 2.821 N/A ILE 44.A N ASN 66.A OD1 no hydrogen 3.068 N/A HIS 46.A ND1 THR 78.A OG1 no hydrogen 3.090 N/A LEU 47.A N THR 78.A O no hydrogen 2.814 N/A HIS 48.A N ASP 51.A OD2 no hydrogen 2.705 N/A HIS 48.A ND1 ASP 51.A OD2 no hydrogen 2.598 N/A ASN 49.A N GLU 80.A OE2 no hydrogen 2.719 N/A ASP 51.A N HIS 48.A O no hydrogen 2.845 N/A VAL 53.A N SER 50.A O no hydrogen 3.435 N/A HIS 54.A N HIS 54.A ND1 no hydrogen 2.926 N/A HIS 54.A NE2 PRO 27.A O no hydrogen 2.771 N/A LEU 55.A N PHE 52.A O no hydrogen 2.973 N/A SER 56.A OG ASN 57.A OD1 no hydrogen 3.304 N/A ASN 57.A ND2 SER 32.A O no hydrogen 2.874 N/A LEU 58.A N LEU 55.A O no hydrogen 3.125 N/A ARG 59.A N THR 35.A O no hydrogen 2.701 N/A ARG 59.A NH1 THR 89.A O no hydrogen 3.395 N/A GLN 60.A N THR 35.A O no hydrogen 3.100 N/A LEU 61.A N GLU 92.A O no hydrogen 2.992 N/A ASN 62.A N LEU 37.A O no hydrogen 3.007 N/A LEU 63.A N ASN 94.A O no hydrogen 2.912 N/A LYS 64.A N ASN 62.A OD1 no hydrogen 3.069 N/A TRP 65.A N SER 96.A O no hydrogen 3.057 N/A ASN 66.A N ASN 98.A OD1 no hydrogen 2.987 N/A ASN 66.A ND2 LEU 39.A O no hydrogen 2.998 N/A ASN 66.A ND2 LEU 63.A O no hydrogen 2.829 N/A CYS 67.A N ASN 98.A OD1 no hydrogen 2.762 N/A MET 77.A N GLY 99.A O no hydrogen 2.925 N/A THR 78.A N HIS 45.A O no hydrogen 3.137 N/A THR 78.A OG1 HIS 46.A ND1 no hydrogen 3.090 N/A GLU 80.A N LEU 47.A O no hydrogen 2.980 N/A ARG 82.A N ASN 49.A OD1 no hydrogen 2.781 N/A THR 83.A N GLU 80.A O no hydrogen 3.035 N/A THR 83.A OG1 GLU 80.A O no hydrogen 2.686 N/A LEU 85.A N ARG 82.A O no hydrogen 3.169 N/A MET 87.A N PHE 84.A O no hydrogen 3.105 N/A LEU 90.A N MET 87.A O no hydrogen 3.297 N/A GLU 91.A N ARG 59.A O no hydrogen 2.702 N/A GLU 92.A N ARG 59.A O no hydrogen 2.795 N/A LEU 93.A N ASN 112.A O no hydrogen 2.925 N/A ASN 94.A N LEU 61.A O no hydrogen 3.051 N/A LEU 95.A N SER 114.A O no hydrogen 2.874 N/A SER 96.A N ASN 94.A OD1 no hydrogen 3.048 N/A SER 96.A OG ASN 94.A OD1 no hydrogen 2.424 N/A TYR 97.A N SER 116.A O no hydrogen 3.161 N/A ASN 98.A ND2 LEU 63.A O no hydrogen 2.899 N/A ASN 98.A ND2 LEU 95.A O no hydrogen 2.914 N/A GLY 99.A N CYS 67.A O no hydrogen 2.589 N/A ILE 100.A N ASN 98.A O no hydrogen 2.834 N/A SER 108.A OG GLY 130.A O no hydrogen 2.377 N/A SER 109.A OG LEU 90.A O no hydrogen 2.712 N/A LEU 110.A N PRO 107.A O no hydrogen 3.372 N/A VAL 111.A N GLU 91.A O no hydrogen 2.695 N/A ASN 112.A N GLU 91.A O no hydrogen 2.789 N/A LEU 113.A N VAL 136.A O no hydrogen 2.916 N/A SER 114.A N LEU 93.A O no hydrogen 2.975 N/A LEU 115.A N PHE 138.A O no hydrogen 2.745 N/A HIS 117.A N ASP 140.A O no hydrogen 2.633 N/A HIS 117.A NE2 TYR 144.A OH no hydrogen 2.743 N/A THR 118.A N ASN 142.A OD1 no hydrogen 2.886 N/A THR 118.A OG1 LEU 115.A O no hydrogen 2.949 N/A ASN 119.A N ILE 100.A O no hydrogen 2.835 N/A ASN 119.A ND2 ASN 147.A OD1 no hydrogen 3.288 N/A ILE 120.A N THR 118.A OG1 no hydrogen 3.287 N/A LEU 123.A N LYS 154.A O no hydrogen 2.941 N/A ASP 124.A N SER 127.A OG no hydrogen 2.661 N/A SER 127.A N ASP 124.A O no hydrogen 3.032 N/A SER 127.A N ASP 124.A OD1 no hydrogen 2.926 N/A SER 127.A OG ASP 124.A O no hydrogen 2.996 N/A SER 127.A OG ASP 124.A OD1 no hydrogen 2.633 N/A ALA 129.A N ASN 126.A O no hydrogen 3.425 N/A LEU 131.A N LEU 128.A O no hydrogen 3.271 N/A LEU 134.A N LEU 131.A O no hydrogen 3.249 N/A ARG 135.A N VAL 111.A O no hydrogen 2.898 N/A VAL 136.A N VAL 111.A O no hydrogen 2.949 N/A LEU 137.A N HIS 168.A O no hydrogen 2.962 N/A PHE 138.A N LEU 113.A O no hydrogen 2.908 N/A MET 139.A N SER 170.A O no hydrogen 2.910 N/A ASP 140.A N SER 116.A OG no hydrogen 2.998 N/A GLY 141.A N LYS 172.A O no hydrogen 2.770 N/A ASN 142.A N ASN 174.A OD1 no hydrogen 2.798 N/A ASN 142.A ND2 THR 118.A OG1 no hydrogen 3.137 N/A ASN 142.A ND2 ILE 120.A O no hydrogen 2.880 N/A CYS 143.A N TYR 173.A O no hydrogen 3.256 N/A CYS 143.A SG GLY 151.A O no hydrogen 3.411 N/A TYR 144.A OH HIS 117.A NE2 no hydrogen 2.743 N/A ASN 147.A N TYR 144.A O no hydrogen 3.052 N/A ASN 147.A ND2 THR 118.A O no hydrogen 2.874 N/A ASN 147.A ND2 GLY 141.A O no hydrogen 2.637 N/A CYS 149.A SG GLY 151.A O no hydrogen 3.679 N/A VAL 153.A N ASN 174.A O no hydrogen 3.246 N/A LYS 154.A N LEU 121.A O no hydrogen 2.782 N/A THR 156.A N LEU 123.A O no hydrogen 3.250 N/A GLY 158.A N ARG 181.A O no hydrogen 3.178 N/A ALA 159.A N THR 156.A O no hydrogen 3.113 N/A LEU 161.A N GLY 158.A O no hydrogen 3.127 N/A LEU 163.A N LEU 160.A O no hydrogen 2.914 N/A SER 164.A N GLY 162.A O no hydrogen 2.825 N/A LEU 166.A N LEU 163.A O no hydrogen 3.251 N/A THR 167.A N ARG 135.A O no hydrogen 2.919 N/A THR 167.A OG1 ARG 135.A O no hydrogen 3.124 N/A THR 167.A OG1 HIS 168.A ND1 no hydrogen 2.564 N/A HIS 168.A N ARG 135.A O no hydrogen 2.824 N/A LEU 169.A N TYR 189.A O no hydrogen 2.911 N/A SER 170.A N LEU 137.A O no hydrogen 3.250 N/A SER 170.A OG ASP 140.A OD1 no hydrogen 2.733 N/A SER 170.A OG ASP 140.A OD2 no hydrogen 3.060 N/A LEU 171.A N LEU 191.A O no hydrogen 2.728 N/A LYS 172.A N ASP 140.A OD1 no hydrogen 2.869 N/A TYR 173.A N SER 193.A O no hydrogen 3.418 N/A ASN 174.A N ASN 195.A OD1 no hydrogen 2.711 N/A ASN 174.A ND2 MET 139.A O no hydrogen 2.814 N/A ASN 175.A ND2 GLY 151.A O no hydrogen 3.138 N/A LEU 176.A N ASN 195.A OD1 no hydrogen 3.171 N/A ARG 181.A NH1 ASP 204.A OD1 no hydrogen 2.847 N/A ARG 181.A NH2 ASP 204.A OD1 no hydrogen 3.534 N/A SER 186.A OG SER 164.A O no hydrogen 3.309 N/A SER 186.A OG LEU 166.A O no hydrogen 2.715 N/A LEU 187.A N PRO 184.A O no hydrogen 3.248 N/A GLU 188.A N THR 167.A O no hydrogen 2.808 N/A TYR 189.A N THR 167.A O no hydrogen 2.918 N/A LEU 190.A N VAL 213.A O no hydrogen 3.099 N/A LEU 191.A N LEU 169.A O no hydrogen 2.737 N/A VAL 192.A N ASP 215.A O no hydrogen 2.848 N/A TYR 194.A N GLY 217.A O no hydrogen 2.798 N/A ASN 195.A N ASN 219.A OD1 no hydrogen 2.950 N/A ASN 195.A ND2 LEU 171.A O no hydrogen 3.055 N/A ASN 195.A ND2 VAL 192.A O no hydrogen 2.987 N/A LEU 196.A N LEU 176.A O no hydrogen 2.724 N/A ILE 197.A N ASN 219.A OD1 no hydrogen 3.163 N/A LYS 199.A NZ GLN 235.A OE1 no hydrogen 2.295 N/A LYS 199.A NZ HIS 239.A ND1 no hydrogen 3.171 N/A LEU 200.A N HIS 239.A O no hydrogen 3.043 N/A GLY 201.A N ASP 204.A OD2 no hydrogen 2.753 N/A ASP 204.A N GLY 201.A O no hydrogen 2.648 N/A LEU 205.A N PRO 202.A O no hydrogen 3.306 N/A ALA 206.A N GLU 203.A O no hydrogen 3.226 N/A LEU 208.A N LEU 205.A O no hydrogen 3.219 N/A LEU 211.A N LEU 208.A O no hydrogen 3.276 N/A ARG 212.A N GLU 188.A O no hydrogen 2.502 N/A ARG 212.A NE GLU 188.A OE1 no hydrogen 3.308 N/A ARG 212.A NH1 GLU 252.A OE1 no hydrogen 3.056 N/A VAL 213.A N GLU 188.A O no hydrogen 3.159 N/A LEU 214.A N GLY 253.A O no hydrogen 2.881 N/A ASP 215.A N LEU 190.A O no hydrogen 3.048 N/A VAL 216.A N VAL 255.A O no hydrogen 3.272 N/A GLY 217.A N ASP 215.A OD1 no hydrogen 3.053 N/A GLY 218.A N LYS 257.A O no hydrogen 2.822 N/A ASN 219.A ND2 VAL 192.A O no hydrogen 3.063 N/A ASN 219.A ND2 VAL 216.A O no hydrogen 2.937 N/A ARG 221.A NE ASP 258.A OD2 no hydrogen 3.045 N/A ARG 222.A NH1 GLN 235.A O no hydrogen 3.474 N/A CYS 223.A N GLU 232.A OE1 no hydrogen 3.395 N/A CYS 233.A N ARG 221.A O no hydrogen 3.208 N/A CYS 233.A SG GLN 235.A O no hydrogen 4.022 N/A GLN 235.A NE2 VAL 198.A O no hydrogen 3.105 N/A GLN 235.A NE2 SER 237.A O no hydrogen 2.697 N/A SER 237.A OG LEU 238.A O no hydrogen 2.534 N/A LEU 238.A N SER 259.A O no hydrogen 2.973 N/A HIS 239.A N VAL 198.A O no hydrogen 3.091 N/A HIS 241.A N LEU 200.A O no hydrogen 3.158 N/A GLU 243.A N HIS 241.A ND1 no hydrogen 3.115 N/A THR 244.A N HIS 241.A O no hydrogen 2.740 N/A THR 244.A OG1 HIS 241.A O no hydrogen 2.426 N/A HIS 246.A N GLU 243.A O no hydrogen 3.251 N/A HIS 247.A N HIS 247.A ND1 no hydrogen 2.785 N/A HIS 247.A NE2 LEU 205.A O no hydrogen 2.937 N/A LEU 248.A N PHE 245.A O no hydrogen 2.946 N/A SER 249.A N HIS 247.A O no hydrogen 2.900 N/A LEU 251.A N LEU 248.A O no hydrogen 3.324 N/A GLU 252.A N ARG 212.A O no hydrogen 2.670 N/A GLY 253.A N ARG 212.A O no hydrogen 2.703 N/A LEU 254.A N VAL 277.A O no hydrogen 3.108 N/A VAL 255.A N LEU 214.A O no hydrogen 3.052 N/A LEU 256.A N ASP 279.A O no hydrogen 2.787 N/A LYS 257.A NZ SER 281.A OG no hydrogen 2.967 N/A LYS 257.A NZ GLU 282.A OE1 no hydrogen 3.115 N/A ASP 258.A N SER 281.A O no hydrogen 2.847 N/A SER 259.A N ASN 283.A OD1 no hydrogen 2.809 N/A SER 259.A OG LEU 256.A O no hydrogen 2.789 N/A SER 259.A OG LYS 257.A O no hydrogen 3.279 N/A SER 260.A OG CYS 220.A O no hydrogen 2.985 N/A LEU 261.A N ASN 283.A OD1 no hydrogen 2.886 N/A HIS 262.A ND1 SER 260.A O no hydrogen 2.888 N/A SER 267.A N ASN 265.A OD1 no hydrogen 2.897 N/A SER 267.A OG ASN 265.A OD1 no hydrogen 2.330 N/A TRP 268.A N ASN 265.A O no hydrogen 2.887 N/A PHE 269.A N SER 266.A O no hydrogen 3.283 N/A GLN 270.A N SER 267.A O no hydrogen 3.125 N/A LEU 272.A N PHE 269.A O no hydrogen 3.082 N/A SER 276.A N GLU 252.A O no hydrogen 2.806 N/A SER 276.A OG GLU 252.A O no hydrogen 3.200 N/A SER 276.A OG GLN 274.A O no hydrogen 3.172 N/A VAL 277.A N GLU 252.A O no hydrogen 2.887 N/A LEU 278.A N LYS 303.A O no hydrogen 3.090 N/A ASP 279.A N LEU 254.A O no hydrogen 3.148 N/A LEU 280.A N ASN 305.A O no hydrogen 2.819 N/A SER 281.A N ASP 279.A OD1 no hydrogen 3.089 N/A SER 281.A OG ASP 279.A OD1 no hydrogen 2.544 N/A GLU 282.A N SER 307.A O no hydrogen 2.913 N/A ASN 283.A ND2 LEU 256.A O no hydrogen 3.200 N/A ASN 283.A ND2 LEU 280.A O no hydrogen 2.660 N/A PHE 284.A N LEU 261.A O no hydrogen 2.973 N/A LEU 285.A N ASN 309.A OD1 no hydrogen 2.807 N/A ILE 289.A N LEU 285.A O no hydrogen 2.845 N/A THR 290.A N GLU 287.A O no hydrogen 3.028 N/A THR 290.A OG1 TYR 286.A O no hydrogen 2.442 N/A THR 290.A OG1 GLU 287.A O no hydrogen 3.034 N/A HIS 291.A N SER 288.A O no hydrogen 2.993 N/A THR 292.A N SER 288.A O no hydrogen 2.616 N/A THR 292.A OG1 ASN 293.A OD1 no hydrogen 3.476 N/A ALA 294.A N THR 292.A OG1 no hydrogen 2.834 N/A GLN 296.A N ASN 293.A O no hydrogen 3.068 N/A LEU 298.A N PHE 295.A O no hydrogen 3.219 N/A LEU 301.A N LEU 298.A O no hydrogen 3.319 N/A ARG 302.A N SER 276.A O no hydrogen 2.574 N/A LYS 303.A N SER 276.A O no hydrogen 2.710 N/A LEU 304.A N GLU 327.A O no hydrogen 2.950 N/A ASN 305.A N LEU 278.A O no hydrogen 2.947 N/A LEU 306.A N ASN 329.A O no hydrogen 2.830 N/A SER 307.A N ASN 305.A OD1 no hydrogen 2.944 N/A SER 307.A OG ASN 305.A OD1 no hydrogen 2.672 N/A PHE 308.A N ASN 331.A O no hydrogen 2.642 N/A ASN 309.A ND2 LEU 280.A O no hydrogen 3.275 N/A ASN 309.A ND2 LEU 306.A O no hydrogen 2.808 N/A TYR 310.A N ASN 283.A O no hydrogen 3.222 N/A ARG 311.A NH1 ILE 333.A O no hydrogen 3.217 N/A ARG 311.A NH1 PHE 334.A O no hydrogen 3.043 N/A ARG 311.A NH2 PHE 334.A O no hydrogen 2.623 N/A LEU 315.A N THR 342.A O no hydrogen 3.010 N/A ALA 316.A N ILE 289.A O no hydrogen 2.814 N/A PHE 319.A N ALA 316.A O no hydrogen 3.044 N/A LYS 320.A N SER 317.A O no hydrogen 3.084 N/A LYS 320.A NZ SER 317.A OG no hydrogen 2.725 N/A ASN 321.A N SER 318.A O no hydrogen 3.276 N/A LEU 322.A N PHE 319.A O no hydrogen 2.978 N/A VAL 323.A N ASN 321.A O no hydrogen 2.762 N/A SER 324.A OG THR 299.A O no hydrogen 2.720 N/A LEU 325.A N LEU 322.A O no hydrogen 3.206 N/A GLN 326.A N ARG 302.A O no hydrogen 2.811 N/A GLU 327.A N ARG 302.A O no hydrogen 3.212 N/A LEU 328.A N THR 354.A O no hydrogen 2.995 N/A ASN 329.A N LEU 304.A O no hydrogen 2.923 N/A MET 330.A N HIS 356.A O no hydrogen 2.729 N/A ASN 331.A N ASN 329.A OD1 no hydrogen 3.000 N/A GLY 332.A N GLN 358.A O no hydrogen 2.939 N/A ILE 333.A N ASN 360.A OD1 no hydrogen 2.770 N/A PHE 334.A N ASN 360.A OD1 no hydrogen 2.849 N/A LEU 338.A N GLN 364.A O no hydrogen 2.904 N/A ASN 339.A N THR 342.A OG1 no hydrogen 2.711 N/A TYR 341.A N ASN 339.A OD1 no hydrogen 2.661 N/A THR 342.A N ASN 339.A OD1 no hydrogen 2.519 N/A THR 342.A OG1 ASN 339.A O no hydrogen 3.564 N/A THR 342.A OG1 ASN 339.A OD1 no hydrogen 2.541 N/A ARG 344.A N TYR 341.A O no hydrogen 3.056 N/A LEU 346.A N LEU 343.A O no hydrogen 2.966 N/A ALA 347.A N ARG 344.A O no hydrogen 3.224 N/A LEU 349.A N LEU 346.A O no hydrogen 3.185 N/A HIS 353.A N GLN 326.A O no hydrogen 2.966 N/A HIS 353.A ND1 THR 354.A OG1 no hydrogen 2.475 N/A HIS 353.A NE2 GLN 326.A OE1 no hydrogen 3.089 N/A THR 354.A N GLN 326.A O no hydrogen 2.976 N/A THR 354.A OG1 HIS 353.A ND1 no hydrogen 2.475 N/A LEU 355.A N PHE 378.A O no hydrogen 2.956 N/A HIS 356.A N LEU 328.A O no hydrogen 2.867 N/A HIS 356.A NE2 GLU 327.A OE2 no hydrogen 3.071 N/A LEU 357.A N ASP 380.A O no hydrogen 2.814 N/A GLN 358.A N ASN 331.A OD1 no hydrogen 2.574 N/A GLN 358.A NE2 ASP 380.A OD2 no hydrogen 2.435 N/A MET 359.A N SER 382.A O no hydrogen 3.374 N/A ASN 360.A N ASN 384.A OD1 no hydrogen 2.835 N/A ASN 360.A ND2 MET 330.A O no hydrogen 2.960 N/A ASN 360.A ND2 LEU 357.A O no hydrogen 3.136 N/A ILE 362.A N ASN 384.A OD1 no hydrogen 3.149 N/A ASN 363.A N ARG 336.A O no hydrogen 3.086 N/A GLN 366.A N LEU 338.A O no hydrogen 3.052 N/A ILE 369.A N GLN 366.A O no hydrogen 3.362 N/A PHE 370.A N LEU 367.A O no hydrogen 2.930 N/A GLY 371.A N SER 368.A O no hydrogen 2.899 N/A THR 372.A N ILE 369.A O no hydrogen 3.137 N/A THR 372.A OG1 ILE 369.A O no hydrogen 2.655 N/A ARG 374.A NH1 ASP 348.A O no hydrogen 3.516 N/A ARG 377.A N HIS 353.A O no hydrogen 2.883 N/A PHE 378.A N HIS 353.A O no hydrogen 2.945 N/A VAL 379.A N THR 399.A O no hydrogen 2.841 N/A ASP 380.A N LEU 355.A O no hydrogen 3.008 N/A LEU 381.A N ASP 401.A O no hydrogen 2.836 N/A SER 382.A N ASP 380.A OD1 no hydrogen 2.920 N/A SER 382.A OG ASP 380.A OD1 no hydrogen 2.415 N/A SER 382.A OG ASP 380.A OD2 no hydrogen 3.272 N/A ASP 383.A N SER 403.A O no hydrogen 2.929 N/A ASN 384.A ND2 LEU 357.A O no hydrogen 3.024 N/A ASN 384.A ND2 LEU 381.A O no hydrogen 2.778 N/A ARG 385.A N ILE 362.A O no hydrogen 2.932 N/A ILE 386.A N ASN 405.A OD1 no hydrogen 3.018 N/A LYS 397.A NZ GLN 447.A OE1 no hydrogen 2.185 N/A THR 399.A N ARG 377.A O no hydrogen 2.821 N/A THR 399.A OG1 CYS 395.A O no hydrogen 3.443 N/A THR 399.A OG1 LYS 397.A O no hydrogen 2.821 N/A MET 400.A N CYS 423.A O no hydrogen 2.892 N/A ASP 401.A N VAL 379.A O no hydrogen 2.987 N/A LEU 402.A N SER 425.A O no hydrogen 2.778 N/A SER 403.A N ASP 401.A OD1 no hydrogen 2.714 N/A SER 403.A OG ASP 401.A OD1 no hydrogen 2.405 N/A SER 403.A OG ASP 401.A OD2 no hydrogen 3.263 N/A ARG 404.A N SER 427.A O no hydrogen 2.967 N/A ASN 405.A ND2 LEU 381.A O no hydrogen 3.093 N/A ASN 405.A ND2 LEU 402.A O no hydrogen 2.809 N/A ASN 405.A ND2 SER 403.A O no hydrogen 3.141 N/A ASN 406.A N ILE 386.A O no hydrogen 2.940 N/A LEU 407.A N ASN 429.A OD1 no hydrogen 2.764 N/A ILE 410.A N GLN 433.A OE1 no hydrogen 3.047 N/A MET 414.A N LYS 411.A O no hydrogen 2.935 N/A PHE 415.A N PRO 412.A O no hydrogen 3.060 N/A VAL 416.A N GLU 413.A O no hydrogen 3.366 N/A LEU 418.A N PHE 415.A O no hydrogen 3.003 N/A SER 419.A OG PRO 442.A O no hydrogen 2.996 N/A LEU 421.A N LEU 418.A O no hydrogen 2.893 N/A GLN 422.A N PHE 398.A O no hydrogen 2.988 N/A CYS 423.A N PHE 398.A O no hydrogen 3.142 N/A LEU 424.A N VAL 448.A O no hydrogen 2.932 N/A SER 425.A N MET 400.A O no hydrogen 3.110 N/A LEU 426.A N ASP 450.A O no hydrogen 2.727 N/A SER 427.A OG HIS 428.A ND1 no hydrogen 3.168 N/A SER 427.A OG SER 452.A O no hydrogen 3.311 N/A SER 427.A OG SER 452.A OG no hydrogen 2.648 N/A HIS 428.A N SER 452.A O no hydrogen 3.077 N/A ASN 429.A ND2 LEU 402.A O no hydrogen 3.223 N/A ASN 429.A ND2 LEU 426.A O no hydrogen 3.035 N/A ASN 429.A ND2 SER 427.A O no hydrogen 3.162 N/A SER 430.A N LEU 407.A O no hydrogen 2.927 N/A ILE 431.A N ASN 454.A OD1 no hydrogen 3.245 N/A GLN 433.A NE2 ILE 410.A O no hydrogen 3.364 N/A ASN 436.A N GLN 439.A OE1 no hydrogen 2.902 N/A SER 438.A N ASN 436.A OD1 no hydrogen 3.222 N/A GLN 439.A N GLU 466.A OE2 no hydrogen 2.912 N/A GLN 439.A NE2 ASN 436.A OD1 no hydrogen 2.630 N/A PHE 440.A N GLU 466.A OE2 no hydrogen 2.985 N/A LEU 443.A N PHE 440.A O no hydrogen 2.997 N/A THR 444.A N PRO 442.A O no hydrogen 2.750 N/A THR 444.A OG1 SER 419.A O no hydrogen 3.553 N/A THR 444.A OG1 ASN 445.A OD1 no hydrogen 2.541 N/A LEU 446.A N LEU 443.A O no hydrogen 3.430 N/A GLN 447.A N GLN 422.A O no hydrogen 2.785 N/A VAL 448.A N GLN 422.A O no hydrogen 2.885 N/A LEU 449.A N ALA 472.A O no hydrogen 2.960 N/A ASP 450.A N LEU 424.A O no hydrogen 2.972 N/A LEU 451.A N ASP 474.A O no hydrogen 2.790 N/A SER 452.A N ASP 450.A OD1 no hydrogen 2.911 N/A SER 452.A OG SER 427.A OG no hydrogen 2.648 N/A SER 452.A OG ASP 450.A OD1 no hydrogen 2.597 N/A HIS 453.A N SER 476.A O no hydrogen 2.884 N/A ASN 454.A ND2 LEU 426.A O no hydrogen 3.003 N/A ASN 454.A ND2 LEU 451.A O no hydrogen 2.866 N/A LYS 455.A N ILE 431.A O no hydrogen 2.906 N/A LEU 456.A N ASN 478.A OD1 no hydrogen 2.926 N/A ASP 457.A N GLN 433.A O no hydrogen 3.372 N/A LYS 462.A N HIS 460.A ND1 no hydrogen 3.027 N/A SER 463.A N HIS 460.A O no hydrogen 3.160 N/A SER 463.A OG VAL 435.A O no hydrogen 2.866 N/A SER 463.A OG HIS 460.A O no hydrogen 2.734 N/A SER 465.A N LYS 462.A O no hydrogen 3.107 N/A SER 465.A OG LYS 462.A O no hydrogen 2.702 N/A GLU 466.A N GLU 466.A OE1 no hydrogen 2.505 N/A LEU 467.A N PHE 464.A O no hydrogen 3.110 N/A LEU 470.A N LEU 467.A O no hydrogen 3.213 N/A GLN 471.A N GLN 447.A O no hydrogen 2.682 N/A ALA 472.A N GLN 447.A O no hydrogen 3.028 N/A LEU 473.A N SER 497.A O no hydrogen 2.936 N/A ASP 474.A N LEU 449.A O no hydrogen 2.919 N/A LEU 475.A N SER 499.A O no hydrogen 2.887 N/A SER 476.A N ASP 474.A OD1 no hydrogen 2.878 N/A SER 476.A OG ASP 474.A OD1 no hydrogen 2.534 N/A SER 476.A OG SER 499.A OG no hydrogen 2.996 N/A TYR 477.A N ALA 501.A O no hydrogen 2.726 N/A ASN 478.A ND2 LEU 456.A O no hydrogen 2.658 N/A SER 479.A N ASN 454.A O no hydrogen 3.156 N/A HIS 484.A N TYR 459.A O no hydrogen 3.314 N/A GLN 485.A N ARG 508.A O no hydrogen 3.325 N/A GLN 485.A NE2 ASP 504.A O no hydrogen 3.200 N/A PHE 486.A N LEU 458.A O no hydrogen 3.178 N/A SER 487.A N HIS 484.A O no hydrogen 3.097 N/A SER 487.A OG TYR 459.A O no hydrogen 3.215 N/A SER 487.A OG HIS 484.A O no hydrogen 2.982 N/A VAL 489.A N PHE 486.A O no hydrogen 3.449 N/A HIS 491.A N PHE 488.A O no hydrogen 2.857 N/A LEU 492.A N VAL 489.A O no hydrogen 3.258 N/A LEU 495.A N LEU 492.A O no hydrogen 3.373 N/A GLN 496.A N GLN 471.A O no hydrogen 2.703 N/A GLN 496.A NE2 SER 497.A OG no hydrogen 2.852 N/A SER 497.A N GLN 471.A O no hydrogen 2.978 N/A LEU 498.A N PHE 520.A O no hydrogen 3.052 N/A SER 499.A N LEU 473.A O no hydrogen 3.075 N/A SER 499.A OG SER 476.A OG no hydrogen 2.996 N/A LEU 500.A N ASP 522.A O no hydrogen 2.883 N/A ALA 501.A N SER 499.A OG no hydrogen 3.313 N/A HIS 502.A N SER 524.A O no hydrogen 2.655 N/A ASN 503.A N ASN 526.A OD1 no hydrogen 2.896 N/A ASN 503.A ND2 LEU 475.A O no hydrogen 3.073 N/A ASN 503.A ND2 ALA 501.A O no hydrogen 2.801 N/A ASP 504.A N ASN 478.A O no hydrogen 3.291 N/A HIS 506.A N GLN 485.A OE1 no hydrogen 3.333 N/A ARG 508.A NH1 GLY 483.A O no hydrogen 2.273 N/A VAL 509.A N HIS 506.A O no hydrogen 2.906 N/A SER 510.A N GLN 485.A O no hydrogen 3.033 N/A SER 510.A OG HIS 512.A O no hydrogen 2.333 N/A SER 511.A OG HIS 512.A ND1 no hydrogen 2.798 N/A HIS 512.A N SER 510.A OG no hydrogen 3.152 N/A HIS 512.A ND1 SER 511.A OG no hydrogen 2.798 N/A LEU 513.A N PHE 541.A O no hydrogen 2.950 N/A SER 515.A N GLY 544.A O no hydrogen 2.944 N/A SER 515.A OG SER 517.A OG no hydrogen 3.392 N/A SER 517.A N SER 515.A OG no hydrogen 2.792 N/A SER 517.A OG LEU 492.A O no hydrogen 3.523 N/A SER 517.A OG SER 493.A O no hydrogen 3.544 N/A SER 517.A OG LEU 495.A O no hydrogen 2.670 N/A SER 517.A OG SER 515.A OG no hydrogen 3.392 N/A VAL 518.A N SER 515.A OG no hydrogen 2.922 N/A ARG 519.A N GLN 496.A O no hydrogen 2.758 N/A ARG 519.A NH1 ASN 516.A O no hydrogen 3.272 N/A ARG 519.A NH1 VAL 518.A O no hydrogen 2.920 N/A ARG 519.A NH1 SER 546.A O no hydrogen 3.000 N/A ARG 519.A NH2 ASN 516.A O no hydrogen 2.762 N/A PHE 520.A N GLN 496.A O no hydrogen 3.051 N/A LEU 521.A N LYS 550.A O no hydrogen 2.953 N/A ASP 522.A N LEU 498.A O no hydrogen 2.872 N/A PHE 523.A N ASP 552.A O no hydrogen 2.926 N/A SER 524.A N ASP 522.A OD1 no hydrogen 3.051 N/A SER 524.A OG ASP 522.A OD1 no hydrogen 2.647 N/A SER 524.A OG ASP 552.A OD1 no hydrogen 2.633 N/A GLY 525.A N SER 554.A O no hydrogen 3.010 N/A ASN 526.A ND2 LEU 500.A O no hydrogen 3.352 N/A MET 528.A N ASN 556.A OD1 no hydrogen 3.085 N/A GLY 529.A N ASN 556.A O no hydrogen 3.091 N/A MET 531.A N GLY 527.A O no hydrogen 2.810 N/A TRP 532.A N MET 528.A O no hydrogen 2.804 N/A TRP 532.A NE1 TYR 538.A O no hydrogen 2.945 N/A GLU 534.A N MET 531.A O no hydrogen 3.097 N/A LEU 539.A N GLY 536.A O no hydrogen 3.149 N/A PHE 541.A N TYR 538.A O no hydrogen 3.082 N/A GLN 543.A N HIS 540.A O no hydrogen 3.152 N/A GLN 543.A NE2 ASN 568.A OD1 no hydrogen 3.232 N/A LEU 545.A N PHE 542.A O no hydrogen 3.003 N/A SER 546.A N SER 515.A O no hydrogen 2.901 N/A SER 546.A OG SER 515.A O no hydrogen 3.503 N/A LEU 548.A N LEU 545.A O no hydrogen 3.306 N/A LEU 549.A N ARG 519.A O no hydrogen 2.899 N/A LYS 550.A N ARG 519.A O no hydrogen 2.812 N/A LEU 551.A N LEU 575.A O no hydrogen 2.911 N/A ASP 552.A N LEU 521.A O no hydrogen 3.015 N/A LEU 553.A N SER 577.A O no hydrogen 2.780 N/A SER 554.A N ASP 552.A OD1 no hydrogen 2.789 N/A SER 554.A OG ASP 552.A OD1 no hydrogen 2.632 N/A GLN 555.A N ARG 579.A O no hydrogen 3.016 N/A ASN 556.A N ASN 581.A OD1 no hydrogen 2.761 N/A ASN 556.A ND2 PHE 523.A O no hydrogen 2.705 N/A ASN 556.A ND2 SER 554.A O no hydrogen 2.845 N/A LEU 558.A N ASN 581.A OD1 no hydrogen 3.076 N/A ARG 562.A NH1 TRP 532.A O no hydrogen 3.358 N/A ARG 562.A NH1 ASN 565.A OD1 no hydrogen 3.496 N/A ARG 562.A NH2 TRP 532.A O no hydrogen 3.459 N/A GLN 564.A N GLN 564.A OE1 no hydrogen 2.456 N/A ASN 565.A N ARG 562.A O no hydrogen 3.244 N/A LEU 566.A N ARG 562.A O no hydrogen 3.437 N/A ASP 567.A N PRO 563.A O no hydrogen 2.965 N/A ASN 568.A N GLN 564.A O no hydrogen 3.111 N/A LEU 569.A N LEU 566.A O no hydrogen 3.185 N/A LYS 571.A NZ ASP 567.A O no hydrogen 2.270 N/A LYS 571.A NZ ASP 567.A OD1 no hydrogen 2.856 N/A LYS 571.A NZ PHE 593.A O no hydrogen 3.352 N/A SER 572.A OG LEU 548.A O no hydrogen 2.690 N/A LEU 573.A N PRO 570.A O no hydrogen 3.044 N/A LYS 574.A N LEU 549.A O no hydrogen 2.714 N/A LEU 575.A N LEU 549.A O no hydrogen 2.791 N/A LEU 576.A N VAL 599.A O no hydrogen 3.027 N/A SER 577.A N LEU 551.A O no hydrogen 2.957 N/A SER 577.A OG SER 554.A OG no hydrogen 3.059 N/A LEU 578.A N ASP 601.A O no hydrogen 2.589 N/A ARG 579.A NE ASP 601.A OD2 no hydrogen 2.903 N/A ARG 579.A NH2 ASP 601.A OD2 no hydrogen 3.260 N/A ASP 580.A N ALA 603.A O no hydrogen 2.640 N/A ASN 581.A ND2 LEU 553.A O no hydrogen 2.950 N/A ASN 581.A ND2 LEU 578.A O no hydrogen 2.896 N/A TYR 582.A N LEU 558.A O no hydrogen 2.762 N/A LEU 583.A N ASN 605.A OD1 no hydrogen 2.878 N/A PHE 586.A N GLN 612.A OE1 no hydrogen 3.313 N/A THR 589.A N ASN 587.A OD1 no hydrogen 3.176 N/A THR 589.A OG1 THR 614.A O no hydrogen 3.465 N/A SER 590.A N ASN 587.A O no hydrogen 2.947 N/A SER 590.A OG ASN 587.A O no hydrogen 2.711 N/A LEU 591.A N TRP 588.A O no hydrogen 3.270 N/A SER 592.A N THR 589.A O no hydrogen 3.079 N/A PHE 593.A N SER 590.A O no hydrogen 2.906 N/A LEU 594.A N LEU 591.A O no hydrogen 2.895 N/A ASN 596.A ND2 LYS 571.A O no hydrogen 2.754 N/A LEU 597.A N LEU 594.A O no hydrogen 3.191 N/A GLU 598.A N LYS 574.A O no hydrogen 2.748 N/A VAL 599.A N LYS 574.A O no hydrogen 2.970 N/A LEU 600.A N LYS 623.A O no hydrogen 2.935 N/A ASP 601.A N LEU 576.A O no hydrogen 3.001 N/A LEU 602.A N ASP 625.A O no hydrogen 2.797 N/A ALA 603.A N ASP 601.A OD1 no hydrogen 3.291 N/A GLY 604.A N SER 627.A O no hydrogen 3.169 N/A ASN 605.A ND2 LEU 578.A O no hydrogen 2.970 N/A ASN 605.A ND2 LEU 602.A O no hydrogen 2.789 N/A ASN 605.A ND2 ALA 603.A O no hydrogen 3.370 N/A GLN 606.A N LEU 583.A O no hydrogen 2.827 N/A LEU 607.A N ASN 629.A OD1 no hydrogen 2.928 N/A LEU 610.A N SER 633.A O no hydrogen 2.993 N/A THR 614.A OG1 LEU 615.A O no hydrogen 3.508 N/A LEU 615.A N PHE 638.A O no hydrogen 3.008 N/A THR 619.A N PRO 616.A O no hydrogen 2.977 N/A LEU 621.A N THR 619.A OG1 no hydrogen 3.213 N/A GLN 622.A N GLU 598.A O no hydrogen 2.543 N/A LYS 623.A N GLU 598.A O no hydrogen 2.929 N/A LYS 623.A NZ GLU 647.A OE2 no hydrogen 3.299 N/A LEU 624.A N GLU 647.A O no hydrogen 2.896 N/A ASP 625.A N LEU 600.A O no hydrogen 3.045 N/A VAL 626.A N ASN 649.A O no hydrogen 3.126 N/A SER 627.A N ASP 625.A OD1 no hydrogen 3.164 N/A SER 627.A OG ASP 625.A OD1 no hydrogen 3.064 N/A SER 628.A N SER 651.A O no hydrogen 3.299 N/A ASN 629.A N ASN 653.A OD1 no hydrogen 2.984 N/A ASN 629.A ND2 LEU 602.A O no hydrogen 3.350 N/A ASN 629.A ND2 VAL 626.A O no hydrogen 3.033 N/A ASN 629.A ND2 SER 627.A O no hydrogen 2.991 N/A SER 630.A OG ASN 629.A O no hydrogen 2.716 N/A ILE 631.A N ASN 653.A OD1 no hydrogen 3.305 N/A VAL 632.A N LYS 608.A O no hydrogen 2.873 N/A VAL 635.A N LEU 610.A O no hydrogen 3.085 N/A ALA 637.A N SER 661.A O no hydrogen 2.655 N/A PHE 638.A N VAL 635.A O no hydrogen 3.258 N/A PHE 639.A N TRP 662.A O no hydrogen 3.220 N/A ALA 640.A N ALA 637.A O no hydrogen 3.132 N/A ALA 642.A N PHE 639.A O no hydrogen 3.297 N/A LEU 645.A N ALA 642.A O no hydrogen 3.167 N/A LYS 646.A N GLN 622.A O no hydrogen 2.887 N/A GLU 647.A N GLN 622.A O no hydrogen 2.967 N/A VAL 648.A N VAL 672.A O no hydrogen 3.034 N/A ASN 649.A N LEU 624.A O no hydrogen 2.934 N/A LEU 650.A N ASP 674.A O no hydrogen 2.750 N/A SER 651.A N ASN 649.A OD1 no hydrogen 3.083 N/A SER 651.A OG ASN 649.A OD1 no hydrogen 2.911 N/A HIS 652.A N ARG 676.A O no hydrogen 2.900 N/A ASN 653.A ND2 VAL 626.A O no hydrogen 2.854 N/A ASN 653.A ND2 LEU 650.A O no hydrogen 3.014 N/A ILE 654.A N ILE 631.A O no hydrogen 2.909 N/A LEU 655.A N ASN 678.A OD1 no hydrogen 2.988 N/A ARG 660.A NH1 GLU 694.A OE2 no hydrogen 2.876 N/A ARG 660.A NH2 GLU 694.A OE2 no hydrogen 3.437 N/A SER 661.A N ASP 659.A OD1 no hydrogen 2.712 N/A TRP 662.A N ASP 659.A O no hydrogen 3.434 N/A PHE 663.A N ARG 660.A O no hydrogen 3.203 N/A GLY 664.A N ARG 660.A O no hydrogen 2.986 N/A MET 668.A N PRO 665.A O no hydrogen 3.169 N/A GLN 669.A N ILE 666.A O no hydrogen 3.308 N/A GLN 669.A NE2 VAL 643.A O no hydrogen 3.161 N/A THR 671.A N LYS 646.A O no hydrogen 2.763 N/A THR 671.A OG1 LYS 646.A O no hydrogen 3.194 N/A VAL 672.A N LYS 646.A O no hydrogen 3.253 N/A LEU 673.A N LYS 698.A O no hydrogen 2.833 N/A ASP 674.A N VAL 648.A O no hydrogen 3.232 N/A ARG 676.A N ASP 674.A OD1 no hydrogen 3.267 N/A ASN 678.A ND2 LEU 650.A O no hydrogen 3.055 N/A ASN 678.A ND2 VAL 675.A O no hydrogen 2.877 N/A LEU 680.A N ASN 678.A O no hydrogen 2.823 N/A HIS 681.A N LYS 656.A O no hydrogen 3.005 N/A HIS 681.A ND1 SER 710.A OG no hydrogen 2.279 N/A CYS 682.A N SER 710.A O no hydrogen 2.605 N/A ALA 686.A N ALA 683.A O no hydrogen 3.314 N/A LEU 692.A N PHE 688.A O no hydrogen 2.924 N/A LEU 693.A N VAL 689.A O no hydrogen 2.917 N/A GLU 694.A N LEU 691.A O no hydrogen 2.934 N/A VAL 695.A N LEU 691.A O no hydrogen 3.311 N/A VAL 695.A N LEU 692.A O no hydrogen 3.201 N/A LYS 698.A N VAL 695.A O no hydrogen 2.865 N/A VAL 699.A N GLN 696.A O no hydrogen 3.426 N/A ALA 703.A N GLU 9.A OE2 no hydrogen 3.230 N/A CYS 708.A N ARG 717.A O no hydrogen 2.868 N/A CYS 708.A SG ARG 717.A O no hydrogen 3.787 N/A GLY 709.A N LEU 680.A O no hydrogen 2.617 N/A SER 710.A N LEU 680.A O no hydrogen 3.205 N/A SER 710.A OG HIS 681.A ND1 no hydrogen 2.279 N/A LEU 714.A N PRO 711.A O no hydrogen 2.865 N/A GLY 716.A N CYS 708.A O no hydrogen 2.931 N/A ARG 717.A N LEU 714.A O no hydrogen 2.913 N/A ILE 719.A N VAL 706.A O no hydrogen 3.271 N/A PHE 720.A N SER 718.A OG no hydrogen 2.750 N/A ALA 721.A N SER 718.A O no hydrogen 3.053 N/A