Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7lx0_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 GLU 1.A OE1 no hydrogen 3.425 N/A ASP 7.A N ALA 174.A O no hydrogen 2.623 N/A ASP 9.A N LYS 172.A O no hydrogen 2.617 N/A THR 13.A OG1 HIS 171.A ND1 no hydrogen 2.703 N/A GLN 16.A N SER 14.A OG no hydrogen 3.123 N/A TRP 18.A N PHE 15.A O no hydrogen 3.281 N/A SER 19.A OG GLN 16.A O no hydrogen 3.133 N/A GLN 20.A N LYS 17.A O no hydrogen 3.449 N/A ASP 25.A N GLY 22.A O no hydrogen 3.249 N/A THR 27.A N ASP 25.A OD1 no hydrogen 2.788 N/A THR 27.A OG1 ASP 25.A OD1 no hydrogen 3.483 N/A ALA 29.A N ASP 25.A O no hydrogen 2.824 N/A THR 35.A N GLN 714.A O no hydrogen 3.123 N/A TRP 37.A N THR 34.A O no hydrogen 3.192 N/A TRP 37.A NE1 LEU 28.A O no hydrogen 2.681 N/A ILE 38.A N THR 35.A O no hydrogen 3.141 N/A ASN 40.A N THR 36.A O no hydrogen 2.937 N/A LEU 41.A N TRP 37.A O no hydrogen 3.088 N/A HIS 42.A N TRP 39.A O no hydrogen 3.362 N/A ALA 43.A N TRP 39.A O no hydrogen 3.125 N/A PHE 48.A N HIS 46.A O no hydrogen 2.827 N/A THR 50.A N ASP 47.A O no hydrogen 3.103 N/A THR 50.A OG1 ASP 47.A O no hydrogen 2.826 N/A THR 50.A OG1 ASP 47.A OD2 no hydrogen 3.208 N/A HIS 51.A N PHE 48.A O no hydrogen 3.269 N/A HIS 51.A NE2 ASN 44.A O no hydrogen 2.676 N/A THR 52.A N PHE 48.A O no hydrogen 3.484 N/A ILE 58.A N ASP 54.A O no hydrogen 3.100 N/A SER 59.A N LEU 55.A O no hydrogen 3.020 N/A SER 59.A OG LEU 55.A O no hydrogen 3.107 N/A ARG 60.A N GLU 56.A O no hydrogen 3.290 N/A ARG 60.A NE PRO 175.A O no hydrogen 2.620 N/A ARG 60.A NH2 ASP 7.A OD2 no hydrogen 2.406 N/A LYS 61.A N ASP 57.A O no hydrogen 3.374 N/A LYS 61.A NZ TYR 170.A OH no hydrogen 2.645 N/A ILE 62.A N ILE 58.A O no hydrogen 3.055 N/A PHE 63.A N SER 59.A O no hydrogen 3.076 N/A ALA 64.A N ARG 60.A O no hydrogen 3.148 N/A ALA 65.A N LYS 61.A O no hydrogen 2.911 N/A HIS 66.A N ILE 62.A O no hydrogen 3.060 N/A GLY 68.A N ALA 64.A O no hydrogen 3.462 N/A HIS 69.A N ALA 65.A O no hydrogen 2.982 N/A LEU 70.A N HIS 66.A O no hydrogen 2.782 N/A ALA 71.A N PHE 67.A O no hydrogen 2.950 N/A VAL 72.A N GLY 68.A O no hydrogen 3.381 N/A VAL 73.A N HIS 69.A O no hydrogen 3.047 N/A PHE 74.A N LEU 70.A O no hydrogen 2.994 N/A ILE 75.A N ALA 71.A O no hydrogen 2.936 N/A TRP 76.A N VAL 72.A O no hydrogen 3.003 N/A LEU 77.A N VAL 73.A O no hydrogen 2.702 N/A SER 78.A N PHE 74.A O no hydrogen 2.908 N/A SER 78.A OG PHE 74.A O no hydrogen 2.611 N/A SER 78.A OG ALA 152.A O no hydrogen 3.367 N/A GLY 79.A N ILE 75.A O no hydrogen 3.001 N/A MET 80.A N TRP 76.A O no hydrogen 3.118 N/A MET 80.A N LEU 77.A O no hydrogen 3.148 N/A TYR 81.A N LEU 77.A O no hydrogen 3.212 N/A PHE 82.A N SER 78.A O no hydrogen 2.830 N/A HIS 83.A N GLY 79.A O no hydrogen 3.109 N/A GLY 84.A N MET 80.A O no hydrogen 2.935 N/A ALA 85.A N PHE 82.A O no hydrogen 3.057 N/A ARG 86.A N PHE 82.A O no hydrogen 3.078 N/A PHE 87.A N HIS 83.A O no hydrogen 3.083 N/A SER 88.A OG HIS 83.A O no hydrogen 3.281 N/A SER 88.A OG GLY 84.A O no hydrogen 2.431 N/A ASN 89.A N SER 103.A O no hydrogen 3.042 N/A ASN 89.A ND2 LYS 101.A O no hydrogen 2.620 N/A TRP 93.A N ASN 89.A O no hydrogen 2.874 N/A MET 94.A N PHE 90.A O no hydrogen 3.003 N/A ALA 95.A N ALA 92.A O no hydrogen 3.231 N/A ASN 96.A N ALA 92.A O no hydrogen 3.380 N/A LYS 101.A N MET 120.A O no hydrogen 2.870 N/A SER 103.A N ASN 89.A OD1 no hydrogen 2.882 N/A SER 103.A OG ALA 104.A O no hydrogen 3.476 N/A SER 103.A OG ILE 127.A O no hydrogen 3.024 N/A VAL 107.A N ASN 117.A OD1 no hydrogen 2.811 N/A ILE 110.A N TRP 108.A O no hydrogen 2.960 N/A GLN 113.A N ILE 110.A O no hydrogen 3.166 N/A GLN 113.A NE2 TRP 108.A O no hydrogen 3.122 N/A LEU 116.A N GLN 113.A O no hydrogen 3.035 N/A ASN 117.A N GLU 114.A O no hydrogen 2.993 N/A ASN 117.A ND2 VAL 107.A O no hydrogen 2.798 N/A ASN 117.A ND2 GLU 114.A O no hydrogen 3.654 N/A GLY 118.A N LEU 116.A O no hydrogen 2.797 N/A MET 120.A N PHE 124.A O no hydrogen 3.077 N/A GLY 126.A N GLY 118.A O no hydrogen 3.093 N/A GLN 128.A NE2 GLY 751.A OXT no hydrogen 3.253 N/A ILE 129.A N PRO 102.A O no hydrogen 3.120 N/A THR 130.A OG1 SER 390.A OG no hydrogen 2.904 N/A MET 136.A N GLY 132.A O no hydrogen 3.209 N/A MET 136.A N LEU 133.A O no hydrogen 3.101 N/A TRP 137.A N LEU 133.A O no hydrogen 2.858 N/A ARG 138.A N PHE 134.A O no hydrogen 3.082 N/A ARG 138.A NH1 MET 94.A O no hydrogen 3.315 N/A ALA 140.A N MET 136.A O no hydrogen 2.989 N/A ALA 140.A N TRP 137.A O no hydrogen 3.260 N/A GLY 141.A N ARG 138.A O no hydrogen 3.280 N/A PHE 142.A N TRP 137.A O no hydrogen 2.952 N/A THR 143.A N GLN 147.A OE1 no hydrogen 3.243 N/A TYR 149.A N THR 145.A O no hydrogen 3.094 N/A CYS 150.A N PHE 146.A O no hydrogen 2.957 N/A CYS 150.A SG PHE 146.A O no hydrogen 3.598 N/A CYS 150.A SG GLN 147.A O no hydrogen 3.221 N/A THR 151.A N GLN 147.A O no hydrogen 3.191 N/A THR 151.A OG1 GLN 147.A O no hydrogen 2.832 N/A ALA 152.A N LEU 148.A O no hydrogen 3.069 N/A ILE 153.A N TYR 149.A O no hydrogen 2.922 N/A GLY 154.A N CYS 150.A O no hydrogen 2.872 N/A GLY 155.A N ALA 152.A O no hydrogen 3.249 N/A LEU 156.A N ALA 152.A O no hydrogen 3.122 N/A VAL 157.A N ILE 153.A O no hydrogen 3.154 N/A ALA 159.A N GLY 155.A O no hydrogen 2.737 N/A ALA 160.A N LEU 156.A O no hydrogen 3.055 N/A MET 162.A N MET 158.A O no hydrogen 3.335 N/A LEU 163.A N ALA 159.A O no hydrogen 2.988 N/A PHE 164.A N ALA 160.A O no hydrogen 3.025 N/A ALA 165.A N LEU 161.A O no hydrogen 2.789 N/A GLY 166.A N MET 162.A O no hydrogen 3.093 N/A GLY 166.A N LEU 163.A O no hydrogen 3.283 N/A TRP 167.A N LEU 163.A O no hydrogen 3.091 N/A TRP 167.A NE1 THR 13.A OG1 no hydrogen 2.883 N/A PHE 168.A N PHE 164.A O no hydrogen 2.766 N/A HIS 169.A N ALA 165.A O no hydrogen 3.178 N/A HIS 169.A ND1 ARG 173.A O no hydrogen 3.015 N/A TYR 170.A N TRP 167.A O no hydrogen 3.326 N/A TYR 170.A OH ASP 57.A OD2 no hydrogen 3.312 N/A HIS 171.A N TRP 167.A O no hydrogen 2.881 N/A HIS 171.A ND1 THR 13.A OG1 no hydrogen 2.703 N/A LYS 172.A N PHE 168.A O no hydrogen 3.132 N/A ARG 173.A N PHE 168.A O no hydrogen 2.794 N/A ARG 173.A NH1 LYS 172.A O no hydrogen 3.255 N/A LYS 176.A N VAL 5.A O no hydrogen 3.068 N/A LYS 176.A NZ VAL 6.A O no hydrogen 2.836 N/A LYS 176.A NZ ASP 7.A OD1 no hydrogen 2.709 N/A LEU 177.A N GLU 56.A OE1 no hydrogen 3.036 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 3.003 N/A TRP 179.A N LYS 176.A O no hydrogen 3.319 N/A PHE 180.A N LEU 177.A O no hydrogen 3.016 N/A GLN 181.A N LEU 177.A O no hydrogen 3.038 N/A GLN 184.A NE2 HIS 313.A O no hydrogen 2.256 N/A SER 185.A N ASN 182.A O no hydrogen 3.268 N/A MET 186.A N ASN 182.A O no hydrogen 3.396 N/A LEU 187.A N THR 183.A O no hydrogen 3.033 N/A ASN 188.A ND2 TYR 305.A O no hydrogen 2.884 N/A HIS 189.A N SER 185.A O no hydrogen 3.360 N/A HIS 189.A ND1 SER 185.A O no hydrogen 2.393 N/A HIS 190.A N MET 186.A O no hydrogen 2.925 N/A LEU 191.A N LEU 187.A O no hydrogen 2.985 N/A ALA 192.A N ASN 188.A O no hydrogen 3.127 N/A LEU 195.A N HIS 190.A O no hydrogen 3.001 N/A LEU 197.A N ALA 192.A O no hydrogen 2.801 N/A GLY 198.A N LEU 194.A O no hydrogen 3.064 N/A SER 199.A N LEU 195.A O no hydrogen 3.330 N/A SER 199.A OG LEU 195.A O no hydrogen 2.700 N/A SER 199.A OG GLY 196.A O no hydrogen 3.323 N/A LEU 200.A N GLY 196.A O no hydrogen 2.930 N/A GLY 201.A N LEU 197.A O no hydrogen 2.745 N/A TRP 202.A N GLY 198.A O no hydrogen 2.896 N/A THR 203.A N SER 199.A O no hydrogen 3.234 N/A THR 203.A OG1 ALA 288.A O no hydrogen 2.869 N/A GLY 204.A N LEU 200.A O no hydrogen 3.176 N/A HIS 205.A N GLY 201.A O no hydrogen 3.137 N/A HIS 205.A NE2 ALA 140.A O no hydrogen 2.464 N/A LEU 206.A N TRP 202.A O no hydrogen 2.772 N/A ILE 207.A N THR 203.A O no hydrogen 3.293 N/A HIS 208.A N GLY 204.A O no hydrogen 3.330 N/A VAL 209.A N HIS 205.A O no hydrogen 2.644 N/A SER 210.A N HIS 205.A O no hydrogen 3.223 N/A SER 210.A OG ALA 139.A O no hydrogen 2.683 N/A SER 210.A OG HIS 205.A NE2 no hydrogen 3.121 N/A LEU 211.A N LEU 206.A O no hydrogen 2.545 N/A THR 213.A N VAL 209.A O no hydrogen 3.135 N/A THR 213.A OG1 VAL 209.A O no hydrogen 2.628 N/A ASN 214.A N SER 210.A O no hydrogen 2.897 N/A ASN 214.A ND2 ARG 138.A O no hydrogen 3.296 N/A LYS 215.A N LEU 211.A O no hydrogen 2.976 N/A LEU 216.A N PRO 212.A O no hydrogen 3.127 N/A LEU 217.A N THR 213.A O no hydrogen 3.017 N/A THR 219.A N LEU 216.A O no hydrogen 3.035 N/A THR 219.A OG1 LEU 216.A O no hydrogen 2.859 N/A LYS 224.A N ALA 222.A O no hydrogen 2.702 N/A LEU 228.A N GLU 231.A OE1 no hydrogen 2.653 N/A GLU 231.A N LEU 228.A O no hydrogen 2.871 N/A PHE 232.A N PRO 229.A O no hydrogen 3.404 N/A ILE 233.A N HIS 230.A O no hydrogen 2.860 N/A LEU 234.A N HIS 230.A O no hydrogen 2.883 N/A ASN 235.A N GLU 231.A O no hydrogen 3.336 N/A LEU 238.A N ASN 235.A O no hydrogen 2.990 N/A MET 239.A N PRO 236.A O no hydrogen 3.330 N/A ASN 240.A N SER 237.A O no hydrogen 3.345 N/A ASN 240.A ND2 ASP 247.A O no hydrogen 3.282 N/A TYR 243.A OH LEU 211.A O no hydrogen 3.182 N/A HIS 245.A N ASP 267.A OD2 no hydrogen 3.046 N/A TRP 248.A NE1 TYR 243.A O no hydrogen 3.046 N/A GLY 253.A N GLY 249.A O no hydrogen 3.175 N/A VAL 254.A N VAL 251.A O no hydrogen 3.317 N/A PHE 257.A N VAL 254.A O no hydrogen 2.924 N/A THR 259.A N VAL 255.A O no hydrogen 2.939 N/A THR 259.A OG1 VAL 255.A O no hydrogen 3.116 N/A LEU 260.A N PHE 257.A O no hydrogen 3.393 N/A TRP 262.A NE1 PHE 257.A O no hydrogen 2.894 N/A HIS 264.A N GLN 261.A O no hydrogen 3.482 N/A PHE 265.A N TRP 262.A O no hydrogen 3.140 N/A THR 266.A N GLY 263.A O no hydrogen 3.382 N/A THR 266.A OG1 GLY 263.A O no hydrogen 2.830 N/A PHE 268.A N PHE 265.A O no hydrogen 3.224 N/A LEU 269.A N PHE 265.A O no hydrogen 2.881 N/A THR 270.A OG1 THR 285.A OG1 no hydrogen 2.716 N/A GLY 273.A N ASP 286.A OD1 no hydrogen 3.058 N/A ASN 276.A N GLY 281.A O no hydrogen 2.663 N/A THR 279.A N ASN 276.A O no hydrogen 3.266 N/A THR 279.A N ASN 276.A OD1 no hydrogen 3.242 N/A THR 279.A OG1 ASN 276.A OD1 no hydrogen 2.755 N/A GLY 280.A N ASN 276.A O no hydrogen 2.585 N/A GLY 281.A N THR 279.A OG1 no hydrogen 3.289 N/A THR 285.A OG1 THR 270.A OG1 no hydrogen 2.716 N/A VAL 287.A N TRP 283.A O no hydrogen 2.784 N/A ALA 288.A N LEU 284.A O no hydrogen 2.720 N/A HIS 289.A N THR 285.A O no hydrogen 3.245 N/A HIS 289.A ND1 THR 270.A O no hydrogen 2.921 N/A HIS 290.A N ASP 286.A O no hydrogen 3.236 N/A HIS 291.A N VAL 287.A O no hydrogen 3.091 N/A HIS 291.A ND1 VAL 287.A O no hydrogen 2.935 N/A LEU 292.A N ALA 288.A O no hydrogen 3.280 N/A ALA 293.A N HIS 289.A O no hydrogen 2.984 N/A ILE 294.A N HIS 290.A O no hydrogen 2.727 N/A ALA 295.A N HIS 291.A O no hydrogen 2.649 N/A VAL 296.A N LEU 292.A O no hydrogen 3.071 N/A MET 297.A N ALA 293.A O no hydrogen 3.160 N/A PHE 298.A N ILE 294.A O no hydrogen 2.821 N/A PHE 298.A N ALA 295.A O no hydrogen 3.200 N/A ILE 299.A N ALA 295.A O no hydrogen 2.908 N/A ILE 300.A N VAL 296.A O no hydrogen 3.150 N/A ALA 301.A N MET 297.A O no hydrogen 3.320 N/A GLY 302.A N PHE 298.A O no hydrogen 2.960 N/A GLY 302.A N ILE 299.A O no hydrogen 3.209 N/A HIS 303.A N ILE 300.A O no hydrogen 3.179 N/A HIS 303.A ND1 ILE 299.A O no hydrogen 2.483 N/A MET 304.A N ALA 301.A O no hydrogen 3.388 N/A TYR 305.A N ASN 188.A OD1 no hydrogen 3.353 N/A ARG 306.A N HIS 313.A O no hydrogen 2.647 N/A ARG 306.A NE GLY 310.A O no hydrogen 3.010 N/A ASN 308.A ND2 VAL 2.A O no hydrogen 2.914 N/A ILE 311.A N TRP 309.A O no hydrogen 2.566 N/A HIS 313.A N MET 304.A O no hydrogen 2.708 N/A SER 314.A OG GLU 317.A OE2 no hydrogen 3.475 N/A LYS 316.A NZ GLU 344.A OE2 no hydrogen 3.035 N/A MET 318.A N SER 314.A O no hydrogen 3.035 N/A LEU 319.A N ILE 315.A O no hydrogen 2.989 N/A ASP 320.A N LYS 316.A O no hydrogen 3.245 N/A ALA 322.A N LEU 319.A O no hydrogen 2.902 N/A ARG 323.A NH2 ASP 321.A OD1 no hydrogen 3.271 N/A THR 324.A OG1 THR 324.A O no hydrogen 2.549 N/A THR 324.A OG1 SER 332.A O no hydrogen 2.690 N/A ASN 326.A ND2 ASP 321.A O no hydrogen 3.165 N/A LEU 331.A N LEU 328.A O no hydrogen 3.116 N/A SER 332.A OG PRO 329.A O no hydrogen 3.306 N/A HIS 339.A ND1 ALA 322.A O no hydrogen 3.292 N/A LYS 340.A N VAL 337.A O no hydrogen 3.424 N/A LEU 342.A N HIS 339.A O no hydrogen 3.287 N/A GLU 344.A N GLU 344.A OE1 no hydrogen 2.757 N/A LEU 346.A N LEU 342.A O no hydrogen 3.405 N/A THR 347.A OG1 PHE 343.A O no hydrogen 2.782 N/A THR 348.A N GLU 344.A O no hydrogen 3.169 N/A THR 348.A OG1 GLU 344.A O no hydrogen 2.228 N/A SER 349.A OG VAL 345.A O no hydrogen 2.728 N/A TRP 350.A NE1 SER 59.A OG no hydrogen 2.378 N/A HIS 351.A NE2 ASP 49.A OD2 no hydrogen 2.373 N/A LEU 354.A N TRP 350.A O no hydrogen 2.772 N/A SER 355.A N HIS 351.A O no hydrogen 2.888 N/A SER 355.A OG ALA 352.A O no hydrogen 3.451 N/A ILE 356.A N ALA 352.A O no hydrogen 3.451 N/A ASN 357.A N GLN 353.A O no hydrogen 2.861 N/A LEU 358.A N LEU 354.A O no hydrogen 2.990 N/A ALA 359.A N SER 355.A O no hydrogen 3.188 N/A MET 360.A N ILE 356.A O no hydrogen 3.018 N/A LEU 361.A N ASN 357.A O no hydrogen 3.149 N/A GLY 362.A N LEU 358.A O no hydrogen 2.709 N/A SER 363.A N ALA 359.A O no hydrogen 3.273 N/A SER 363.A OG ALA 359.A O no hydrogen 2.750 N/A LEU 364.A N MET 360.A O no hydrogen 2.931 N/A SER 365.A N LEU 361.A O no hydrogen 3.057 N/A SER 365.A OG HIS 395.A O no hydrogen 2.796 N/A ILE 366.A N GLY 362.A O no hydrogen 3.292 N/A ILE 367.A N SER 363.A O no hydrogen 3.041 N/A ILE 368.A N LEU 364.A O no hydrogen 2.763 N/A ALA 369.A N SER 365.A O no hydrogen 3.185 N/A HIS 370.A N ILE 366.A O no hydrogen 3.137 N/A HIS 371.A N ILE 367.A O no hydrogen 3.057 N/A HIS 371.A N ILE 368.A O no hydrogen 3.164 N/A MET 372.A N ILE 368.A O no hydrogen 3.014 N/A TYR 380.A N THR 279.A O no hydrogen 2.856 N/A LEU 381.A N TYR 378.A O no hydrogen 3.360 N/A ASP 384.A N LEU 381.A O no hydrogen 3.098 N/A TYR 385.A OH VAL 520.A O no hydrogen 2.394 N/A TYR 385.A OH GLY 619.A O no hydrogen 3.020 N/A GLY 386.A N GLY 751.A O no hydrogen 3.298 N/A THR 387.A N ASP 384.A O no hydrogen 3.018 N/A THR 387.A OG1 ASP 384.A OD2 no hydrogen 2.285 N/A VAL 388.A N ASP 384.A O no hydrogen 3.115 N/A VAL 389.A N TYR 385.A O no hydrogen 3.288 N/A SER 390.A N GLY 386.A O no hydrogen 3.280 N/A SER 390.A OG THR 130.A O no hydrogen 2.429 N/A SER 390.A OG THR 130.A OG1 no hydrogen 2.904 N/A SER 390.A OG GLY 386.A O no hydrogen 3.186 N/A SER 390.A OG THR 387.A O no hydrogen 3.443 N/A LEU 391.A N THR 387.A O no hydrogen 2.834 N/A PHE 392.A N VAL 388.A O no hydrogen 3.184 N/A THR 393.A N VAL 389.A O no hydrogen 2.898 N/A THR 393.A OG1 VAL 389.A O no hydrogen 2.491 N/A HIS 394.A N SER 390.A O no hydrogen 3.367 N/A HIS 395.A N LEU 391.A O no hydrogen 3.321 N/A HIS 395.A ND1 LEU 391.A O no hydrogen 2.655 N/A VAL 396.A N PHE 392.A O no hydrogen 3.047 N/A TRP 397.A N THR 393.A O no hydrogen 3.192 N/A ILE 398.A N HIS 394.A O no hydrogen 2.946 N/A GLY 399.A N HIS 395.A O no hydrogen 2.963 N/A GLY 400.A N VAL 396.A O no hydrogen 2.845 N/A GLY 400.A N TRP 397.A O no hydrogen 3.137 N/A PHE 401.A N TRP 397.A O no hydrogen 3.022 N/A LEU 402.A N ILE 398.A O no hydrogen 3.237 N/A ILE 403.A N GLY 399.A O no hydrogen 3.329 N/A VAL 404.A N GLY 400.A O no hydrogen 3.284 N/A GLY 405.A N PHE 401.A O no hydrogen 2.973 N/A GLY 406.A N LEU 402.A O no hydrogen 2.869 N/A ALA 407.A N ILE 403.A O no hydrogen 3.169 N/A ALA 408.A N VAL 404.A O no hydrogen 2.912 N/A HIS 409.A N GLY 405.A O no hydrogen 3.318 N/A HIS 409.A ND1 GLY 405.A O no hydrogen 2.844 N/A ALA 410.A N GLY 406.A O no hydrogen 3.234 N/A ALA 411.A N ALA 408.A O no hydrogen 2.891 N/A ILE 412.A N ALA 408.A O no hydrogen 2.845 N/A TYR 413.A N HIS 409.A O no hydrogen 2.957 N/A VAL 415.A N ALA 411.A O no hydrogen 3.290 N/A ARG 416.A N TYR 413.A O no hydrogen 3.497 N/A ARG 416.A NH1 ASP 47.A OD1 no hydrogen 2.833 N/A ARG 416.A NH1 ASP 47.A OD2 no hydrogen 3.297 N/A ARG 416.A NH2 ASP 47.A OD2 no hydrogen 3.234 N/A ASP 417.A N TYR 413.A O no hydrogen 2.845 N/A GLU 421.A N GLU 421.A OE1 no hydrogen 3.135 N/A ASN 423.A N PRO 420.A O no hydrogen 3.322 N/A ASN 425.A N ASP 429.A OD1 no hydrogen 3.391 N/A ASN 426.A ND2 ASN 423.A OD1 no hydrogen 2.821 N/A ASP 429.A N ASN 426.A OD1 no hydrogen 3.412 N/A ARG 430.A N ASN 426.A O no hydrogen 3.128 N/A ARG 430.A NH1 ASN 425.A OD1 no hydrogen 3.304 N/A ARG 430.A NH2 PHE 333.A O no hydrogen 3.189 N/A VAL 431.A N LEU 428.A O no hydrogen 3.297 N/A LEU 432.A N LEU 428.A O no hydrogen 3.471 N/A ARG 433.A NH1 ASP 429.A OD1 no hydrogen 3.423 N/A HIS 434.A N VAL 431.A O no hydrogen 3.187 N/A HIS 434.A ND1 ARG 430.A O no hydrogen 2.443 N/A ARG 435.A NH1 LEU 554.A O no hydrogen 2.598 N/A ARG 435.A NH2 SER 558.A OG no hydrogen 2.906 N/A ALA 437.A N HIS 434.A O no hydrogen 2.881 N/A ILE 438.A N HIS 434.A O no hydrogen 3.425 N/A SER 440.A N ASP 436.A O no hydrogen 3.029 N/A SER 440.A OG ASP 436.A O no hydrogen 2.397 N/A HIS 441.A ND1 ALA 437.A O no hydrogen 2.246 N/A LEU 442.A N ILE 438.A O no hydrogen 3.108 N/A ALA 443.A N ILE 439.A O no hydrogen 2.702 N/A TRP 444.A N SER 440.A O no hydrogen 2.990 N/A VAL 445.A N HIS 441.A O no hydrogen 3.067 N/A CYS 446.A N LEU 442.A O no hydrogen 2.860 N/A CYS 446.A SG LEU 442.A O no hydrogen 3.107 N/A GLN 447.A N TRP 444.A O no hydrogen 2.962 N/A PHE 448.A N TRP 444.A O no hydrogen 2.628 N/A LEU 449.A N VAL 445.A O no hydrogen 3.034 N/A GLY 450.A N CYS 446.A O no hydrogen 3.185 N/A PHE 451.A N GLN 447.A O no hydrogen 3.332 N/A HIS 452.A N PHE 448.A O no hydrogen 3.116 N/A HIS 452.A ND1 PHE 448.A O no hydrogen 2.542 N/A SER 453.A N LEU 449.A O no hydrogen 2.822 N/A SER 453.A OG LEU 449.A O no hydrogen 2.201 N/A SER 453.A OG HIS 536.A O no hydrogen 3.402 N/A PHE 454.A N GLY 450.A O no hydrogen 3.212 N/A ALA 455.A N GLY 450.A O no hydrogen 3.423 N/A TYR 457.A N PHE 454.A O no hydrogen 2.772 N/A TYR 457.A OH SER 639.A O no hydrogen 3.328 N/A CYS 458.A N PHE 454.A O no hydrogen 3.208 N/A CYS 458.A SG PHE 454.A O no hydrogen 3.650 N/A HIS 459.A N ALA 455.A O no hydrogen 2.965 N/A HIS 459.A NE2 ASP 471.A O no hydrogen 2.792 N/A ASN 460.A N MET 456.A O no hydrogen 3.101 N/A ASN 460.A ND2 PHE 473.A O no hydrogen 3.632 N/A ASN 460.A ND2 ILE 640.A O no hydrogen 2.909 N/A ASP 461.A N TYR 457.A O no hydrogen 2.888 N/A THR 462.A N HIS 459.A O no hydrogen 3.092 N/A THR 462.A OG1 CYS 458.A O no hydrogen 2.491 N/A MET 463.A N HIS 459.A O no hydrogen 2.995 N/A ARG 464.A N ASN 460.A O no hydrogen 3.061 N/A ARG 464.A NH1 THR 637.A O no hydrogen 2.692 N/A ARG 464.A NH2 THR 637.A O no hydrogen 3.433 N/A PHE 466.A N THR 462.A O no hydrogen 2.876 N/A GLY 467.A N MET 463.A O no hydrogen 2.923 N/A ARG 468.A N MET 463.A O no hydrogen 2.667 N/A GLN 470.A N GLN 470.A OE1 no hydrogen 2.567 N/A ASP 471.A N ARG 468.A O no hydrogen 3.283 N/A PHE 473.A N ASN 460.A OD1 no hydrogen 2.604 N/A SER 474.A N MET 472.A O no hydrogen 2.723 N/A ILE 478.A N MET 472.A O no hydrogen 2.854 N/A GLN 479.A NE2 ASP 475.A O no hydrogen 2.544 N/A LEU 480.A N THR 529.A OG1 no hydrogen 3.022 N/A ALA 485.A N PRO 482.A O no hydrogen 3.257 N/A GLN 486.A N PRO 482.A O no hydrogen 2.886 N/A GLN 486.A NE2 LEU 527.A O no hydrogen 2.573 N/A TRP 487.A N VAL 483.A O no hydrogen 3.075 N/A GLN 489.A N ALA 485.A O no hydrogen 3.090 N/A GLN 489.A NE2 ILE 525.A O no hydrogen 3.127 N/A HIS 490.A N GLN 486.A O no hydrogen 3.171 N/A ILE 491.A N TRP 487.A O no hydrogen 2.824 N/A HIS 492.A N LEU 488.A O no hydrogen 2.880 N/A THR 493.A OG1 GLN 489.A O no hydrogen 3.409 N/A THR 493.A OG1 HIS 490.A O no hydrogen 3.459 N/A MET 494.A N HIS 490.A O no hydrogen 3.214 N/A THR 495.A OG1 ILE 491.A O no hydrogen 3.327 N/A SER 506.A OG ALA 374.A O no hydrogen 3.221 N/A TYR 507.A OH ASP 503.A OD1 no hydrogen 2.654 N/A PHE 509.A N SER 506.A O no hydrogen 2.722 N/A VAL 514.A N MET 522.A O no hydrogen 3.141 N/A VAL 516.A N LYS 519.A O no hydrogen 3.057 N/A LYS 519.A NZ THR 383.A O no hydrogen 2.713 N/A VAL 520.A N GLY 619.A O no hydrogen 2.950 N/A ALA 521.A N VAL 514.A O no hydrogen 2.532 N/A MET 522.A N VAL 514.A O no hydrogen 3.405 N/A ILE 525.A N ALA 508.A O no hydrogen 2.974 N/A GLY 528.A N ASP 531.A OD2 no hydrogen 3.295 N/A THR 529.A N ASP 475.A OD1 no hydrogen 2.885 N/A THR 529.A OG1 SER 474.A O no hydrogen 3.280 N/A THR 529.A OG1 ASP 475.A OD1 no hydrogen 2.906 N/A THR 529.A OG1 LEU 480.A O no hydrogen 3.522 N/A THR 529.A OG1 GLN 481.A OE1 no hydrogen 3.189 N/A ASP 531.A N GLY 528.A O no hydrogen 3.077 N/A PHE 532.A N GLY 528.A O no hydrogen 3.075 N/A LEU 533.A N THR 529.A O no hydrogen 3.037 N/A ILE 534.A N ALA 530.A O no hydrogen 3.236 N/A HIS 535.A N ASP 531.A O no hydrogen 3.306 N/A HIS 535.A ND1 ASP 531.A O no hydrogen 2.620 N/A HIS 536.A N PHE 532.A O no hydrogen 3.333 N/A HIS 536.A N LEU 533.A O no hydrogen 3.349 N/A HIS 536.A ND1 PHE 532.A O no hydrogen 2.882 N/A ILE 537.A N LEU 533.A O no hydrogen 3.195 N/A HIS 538.A N ILE 534.A O no hydrogen 3.236 N/A HIS 538.A NE2 HIS 608.A ND1 no hydrogen 3.003 N/A ALA 539.A N HIS 535.A O no hydrogen 3.115 N/A PHE 540.A N HIS 536.A O no hydrogen 2.985 N/A THR 541.A N ILE 537.A O no hydrogen 2.837 N/A THR 541.A OG1 ILE 537.A O no hydrogen 3.114 N/A THR 541.A OG1 HIS 538.A O no hydrogen 3.318 N/A THR 541.A OG1 SER 601.A OG no hydrogen 2.678 N/A ILE 542.A N HIS 538.A O no hydrogen 3.009 N/A HIS 543.A N ALA 539.A O no hydrogen 3.117 N/A HIS 543.A ND1 ALA 539.A O no hydrogen 2.557 N/A VAL 544.A N PHE 540.A O no hydrogen 3.103 N/A THR 545.A N THR 541.A O no hydrogen 3.179 N/A THR 545.A OG1 THR 541.A O no hydrogen 2.576 N/A VAL 546.A N ILE 542.A O no hydrogen 2.827 N/A LEU 547.A N HIS 543.A O no hydrogen 2.567 N/A VAL 548.A N VAL 544.A O no hydrogen 2.808 N/A LEU 549.A N THR 545.A O no hydrogen 3.013 N/A LEU 550.A N VAL 546.A O no hydrogen 2.606 N/A LYS 551.A N LEU 547.A O no hydrogen 3.097 N/A GLY 552.A N VAL 548.A O no hydrogen 3.351 N/A VAL 553.A N LEU 549.A O no hydrogen 3.286 N/A VAL 553.A N LEU 550.A O no hydrogen 3.138 N/A LEU 554.A N LEU 550.A O no hydrogen 2.943 N/A PHE 555.A N LYS 551.A O no hydrogen 3.033 N/A ALA 556.A N VAL 553.A O no hydrogen 3.405 N/A ARG 557.A NH1 MET 414.A O no hydrogen 2.439 N/A SER 559.A N ILE 562.A O no hydrogen 3.175 N/A SER 559.A OG SER 558.A O no hydrogen 2.937 N/A ARG 560.A NH1 ASP 436.A OD2 no hydrogen 2.391 N/A LYS 565.A NZ PHE 555.A O no hydrogen 2.819 N/A LYS 565.A NZ SER 559.A OG no hydrogen 2.868 N/A LYS 565.A NZ VAL 585.A O no hydrogen 3.274 N/A ASN 567.A N ASP 564.A O no hydrogen 3.315 N/A ARG 571.A NH2 ASN 44.A OD1 no hydrogen 3.237 N/A ASP 575.A N THR 582.A OG1 no hydrogen 2.675 N/A ARG 579.A NH1 ASP 575.A O no hydrogen 3.281 N/A GLY 581.A N GLY 578.A O no hydrogen 2.847 N/A THR 582.A N GLY 576.A O no hydrogen 3.268 N/A THR 582.A OG1 GLY 576.A O no hydrogen 3.205 N/A GLN 584.A N PRO 573.A O no hydrogen 3.159 N/A SER 586.A OG PHE 572.A O no hydrogen 2.964 N/A SER 586.A OG ASP 589.A OD1 no hydrogen 2.173 N/A TRP 588.A N PHE 570.A O no hydrogen 3.313 N/A ASP 589.A N SER 586.A OG no hydrogen 3.294 N/A HIS 590.A N ALA 587.A O no hydrogen 3.323 N/A HIS 590.A ND1 SER 586.A O no hydrogen 2.702 N/A VAL 591.A N ALA 587.A O no hydrogen 3.393 N/A PHE 592.A N TRP 588.A O no hydrogen 2.938 N/A LEU 593.A N ASP 589.A O no hydrogen 3.347 N/A GLY 594.A N HIS 590.A O no hydrogen 2.946 N/A LEU 595.A N VAL 591.A O no hydrogen 2.922 N/A TRP 597.A N LEU 593.A O no hydrogen 3.295 N/A MET 598.A N GLY 594.A O no hydrogen 2.776 N/A TYR 599.A N LEU 595.A O no hydrogen 2.910 N/A TYR 599.A OH GLY 735.A O no hydrogen 2.511 N/A ASN 600.A N PHE 596.A O no hydrogen 2.857 N/A SER 601.A N TRP 597.A O no hydrogen 2.858 N/A SER 601.A OG THR 541.A OG1 no hydrogen 2.678 N/A LEU 602.A N MET 598.A O no hydrogen 2.929 N/A SER 603.A N TYR 599.A O no hydrogen 3.084 N/A SER 603.A OG TYR 599.A O no hydrogen 2.599 N/A SER 603.A OG ASN 600.A O no hydrogen 3.242 N/A MET 604.A N ASN 600.A O no hydrogen 3.267 N/A MET 604.A N SER 601.A O no hydrogen 3.126 N/A VAL 605.A N SER 601.A O no hydrogen 3.062 N/A ILE 606.A N LEU 602.A O no hydrogen 2.927 N/A HIS 608.A N MET 604.A O no hydrogen 2.942 N/A HIS 608.A ND1 HIS 538.A NE2 no hydrogen 3.003 N/A PHE 609.A N VAL 605.A O no hydrogen 2.963 N/A PHE 610.A N ILE 606.A O no hydrogen 2.949 N/A TRP 611.A N PHE 607.A O no hydrogen 3.102 N/A LYS 612.A N HIS 608.A O no hydrogen 3.163 N/A LYS 612.A NZ THR 526.A O no hydrogen 2.813 N/A LYS 612.A NZ ASP 531.A OD1 no hydrogen 3.191 N/A LYS 612.A NZ ASP 531.A OD2 no hydrogen 2.340 N/A LYS 612.A NZ ASP 616.A OD2 no hydrogen 2.815 N/A MET 613.A N PHE 609.A O no hydrogen 3.055 N/A GLN 614.A N PHE 610.A O no hydrogen 3.369 N/A GLN 614.A NE2 PHE 610.A O no hydrogen 2.690 N/A GLN 614.A NE2 GLN 653.A OE1 no hydrogen 3.074 N/A SER 615.A N TRP 611.A O no hydrogen 3.022 N/A SER 615.A OG TRP 611.A O no hydrogen 2.538 N/A SER 615.A OG LYS 612.A O no hydrogen 3.493 N/A SER 615.A OG ASP 616.A OD1 no hydrogen 3.287 N/A ASP 616.A N LYS 612.A O no hydrogen 2.877 N/A VAL 617.A N MET 613.A O no hydrogen 3.001 N/A TRP 618.A N MET 613.A O no hydrogen 2.634 N/A GLY 619.A N TYR 385.A OH no hydrogen 3.393 N/A THR 620.A N THR 628.A O no hydrogen 3.259 N/A THR 620.A OG1 THR 628.A OG1 no hydrogen 3.189 N/A VAL 621.A N GLY 518.A O no hydrogen 2.666 N/A VAL 626.A N ASP 624.A OD1 no hydrogen 2.936 N/A THR 628.A N THR 620.A O no hydrogen 3.129 N/A THR 628.A OG1 THR 620.A O no hydrogen 3.519 N/A HIS 629.A ND1 TRP 618.A O no hydrogen 2.847 N/A THR 631.A N GLN 614.A O no hydrogen 2.928 N/A GLY 633.A N SER 615.A O no hydrogen 3.008 N/A SER 638.A N ASN 634.A O no hydrogen 3.213 N/A SER 638.A OG ASN 634.A O no hydrogen 2.555 N/A SER 638.A OG ASN 634.A OD1 no hydrogen 2.517 N/A SER 638.A OG ASP 648.A OD2 no hydrogen 3.369 N/A SER 639.A N PHE 635.A O no hydrogen 3.205 N/A SER 639.A OG PHE 635.A O no hydrogen 2.369 N/A GLY 644.A N THR 641.A O no hydrogen 2.792 N/A GLY 644.A N THR 641.A OG1 no hydrogen 3.244 N/A TRP 645.A N THR 641.A O no hydrogen 3.280 N/A TRP 645.A NE1 SER 639.A O no hydrogen 2.717 N/A ARG 647.A N ASN 643.A O no hydrogen 3.011 N/A ASP 648.A N GLY 644.A O no hydrogen 2.745 N/A LEU 650.A N TRP 645.A O no hydrogen 2.891 N/A TRP 651.A N LEU 646.A O no hydrogen 2.853 N/A GLN 653.A N PHE 649.A O no hydrogen 3.331 N/A SER 654.A OG LEU 650.A O no hydrogen 2.773 N/A SER 654.A OG TRP 651.A O no hydrogen 3.169 N/A THR 655.A N ALA 652.A O no hydrogen 3.434 N/A THR 655.A OG1 ALA 652.A O no hydrogen 2.738 N/A VAL 657.A N SER 654.A O no hydrogen 3.195 N/A ILE 658.A N SER 654.A O no hydrogen 2.928 N/A THR 659.A N THR 655.A O no hydrogen 3.021 N/A THR 659.A OG1 THR 655.A O no hydrogen 2.836 N/A SER 660.A OG VAL 657.A O no hydrogen 2.612 N/A THR 663.A OG1 SER 660.A O no hydrogen 2.580 N/A TYR 668.A N LEU 665.A O no hydrogen 3.209 N/A LEU 670.A N SER 666.A O no hydrogen 3.257 N/A MET 671.A N ALA 667.A O no hydrogen 2.999 N/A PHE 672.A N TYR 668.A O no hydrogen 3.001 N/A LEU 673.A N GLY 669.A O no hydrogen 3.205 N/A GLY 674.A N LEU 670.A O no hydrogen 2.613 N/A GLY 675.A N MET 671.A O no hydrogen 2.731 N/A HIS 676.A ND1 PHE 672.A O no hydrogen 2.403 N/A PHE 677.A N LEU 673.A O no hydrogen 3.031 N/A ILE 678.A N GLY 674.A O no hydrogen 3.147 N/A PHE 679.A N GLY 675.A O no hydrogen 3.128 N/A GLY 680.A N HIS 676.A O no hydrogen 3.185 N/A PHE 681.A N PHE 677.A O no hydrogen 2.691 N/A SER 682.A N ILE 678.A O no hydrogen 2.868 N/A SER 682.A OG ILE 678.A O no hydrogen 3.554 N/A SER 682.A OG PHE 679.A O no hydrogen 2.267 N/A MET 684.A N PHE 681.A O no hydrogen 3.225 N/A PHE 685.A N SER 682.A O no hydrogen 2.991 N/A LEU 686.A N SER 682.A O no hydrogen 3.133 N/A PHE 687.A N LEU 683.A O no hydrogen 3.047 N/A SER 688.A OG MET 684.A O no hydrogen 2.699 N/A ARG 690.A NH1 LEU 718.A O no hydrogen 3.045 N/A TRP 693.A NE1 SER 688.A OG no hydrogen 2.817 N/A GLN 694.A N ARG 690.A O no hydrogen 2.874 N/A GLU 695.A N GLY 691.A O no hydrogen 3.186 N/A LEU 696.A N TYR 692.A O no hydrogen 3.055 N/A LEU 696.A N TRP 693.A O no hydrogen 3.143 N/A ILE 697.A N TRP 693.A O no hydrogen 3.032 N/A GLU 698.A N GLN 694.A O no hydrogen 3.258 N/A SER 699.A OG GLU 695.A O no hydrogen 3.565 N/A ILE 700.A N ILE 697.A O no hydrogen 2.780 N/A VAL 701.A N ILE 697.A O no hydrogen 2.518 N/A TRP 702.A N GLU 698.A O no hydrogen 3.126 N/A HIS 704.A N VAL 701.A O no hydrogen 3.083 N/A HIS 704.A ND1 ILE 700.A O no hydrogen 2.389 N/A ASN 705.A N VAL 701.A O no hydrogen 2.773 N/A LYS 706.A N TRP 702.A O no hydrogen 2.896 N/A LYS 708.A N ASN 705.A O no hydrogen 3.295 N/A VAL 709.A N HIS 704.A O no hydrogen 2.822 N/A GLN 714.A N LYS 33.A O no hydrogen 3.440 N/A ARG 716.A N THR 35.A OG1 no hydrogen 3.297 N/A ARG 716.A NH1 PRO 715.A O no hydrogen 3.490 N/A GLY 723.A N SER 719.A O no hydrogen 2.728 N/A ARG 724.A N ILE 720.A O no hydrogen 3.105 N/A ARG 724.A NH2 PRO 573.A O no hydrogen 3.000 N/A ARG 724.A NH2 ASP 589.A OD1 no hydrogen 3.246 N/A ALA 725.A N ILE 721.A O no hydrogen 2.856 N/A VAL 726.A N HIS 722.A O no hydrogen 2.877 N/A GLY 727.A N GLY 723.A O no hydrogen 3.187 N/A VAL 728.A N ARG 724.A O no hydrogen 3.163 N/A ALA 729.A N ALA 725.A O no hydrogen 2.947 N/A HIS 730.A N VAL 726.A O no hydrogen 3.122 N/A HIS 730.A ND1 VAL 726.A O no hydrogen 2.607 N/A TYR 731.A N GLY 727.A O no hydrogen 2.979 N/A LEU 732.A N VAL 728.A O no hydrogen 3.133 N/A LEU 733.A N ALA 729.A O no hydrogen 3.214 N/A GLY 734.A N HIS 730.A O no hydrogen 2.738 N/A GLY 735.A N TYR 731.A O no hydrogen 2.882 N/A ILE 736.A N LEU 733.A O no hydrogen 3.294 N/A VAL 737.A N LEU 733.A O no hydrogen 3.008 N/A THR 738.A N GLY 734.A O no hydrogen 3.250 N/A THR 739.A OG1 GLY 735.A O no hydrogen 3.202 N/A TRP 740.A N ILE 736.A O no hydrogen 2.617 N/A ALA 741.A N VAL 737.A O no hydrogen 2.840 N/A PHE 742.A N THR 738.A O no hydrogen 3.166 N/A PHE 743.A N THR 739.A O no hydrogen 2.937 N/A LEU 744.A N TRP 740.A O no hydrogen 3.208 N/A ALA 745.A N ALA 741.A O no hydrogen 3.062 N/A ARG 746.A N PHE 742.A O no hydrogen 3.286 N/A ARG 746.A NE GLN 614.A OE1 no hydrogen 2.771 N/A ARG 746.A NH1 GLN 656.A OE1 no hydrogen 2.959 N/A ARG 746.A NH2 GLN 614.A OE1 no hydrogen 2.722 N/A MET 747.A N PHE 743.A O no hydrogen 3.148 N/A THR 748.A N LEU 744.A O no hydrogen 2.834 N/A THR 748.A OG1 LEU 744.A O no hydrogen 2.670 N/A GLY 751.A N MET 747.A O no hydrogen 3.112 N/A