Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ltc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 10.A N ASP 168.A OD2 no hydrogen 3.331 N/A GLY 12.A N GLU 10.A O no hydrogen 2.648 N/A PHE 18.A N GLN 74.A O no hydrogen 3.140 N/A THR 21.A N GLN 24.A OE1 no hydrogen 3.186 N/A THR 23.A OG1 ASP 277.A OD1 no hydrogen 3.343 N/A THR 23.A OG1 ASP 277.A OD2 no hydrogen 3.521 N/A GLN 24.A N THR 21.A OG1 no hydrogen 3.359 N/A GLN 24.A NE2 GLN 133.A O no hydrogen 3.588 N/A GLN 25.A N THR 21.A O no hydrogen 2.708 N/A ALA 26.A N PRO 22.A O no hydrogen 3.090 N/A LEU 27.A N GLN 24.A O no hydrogen 3.112 N/A TRP 28.A N GLN 24.A O no hydrogen 2.974 N/A GLY 30.A N LEU 27.A O no hydrogen 2.802 N/A ARG 31.A NH1 ASP 131.A OD2 no hydrogen 3.096 N/A TYR 37.A OH GLU 39.A OE1 no hydrogen 2.499 N/A PHE 38.A N LEU 128.A O no hydrogen 2.946 N/A GLU 39.A N HIS 358.A O no hydrogen 3.158 N/A TRP 40.A N VAL 126.A O no hydrogen 3.051 N/A GLU 41.A N THR 355.A O no hydrogen 2.843 N/A ARG 42.A N VAL 124.A O no hydrogen 2.862 N/A ARG 42.A NE GLU 44.A O no hydrogen 3.520 N/A ARG 42.A NH1 PHE 353.A O no hydrogen 2.462 N/A ASP 46.A N TYR 152.A OH no hydrogen 3.057 N/A ARG 49.A N ASP 46.A OD1 no hydrogen 2.954 N/A ARG 49.A NE ASP 46.A OD2 no hydrogen 3.455 N/A ARG 49.A NH1 ASP 153.A O no hydrogen 3.082 N/A TYR 50.A N ASP 46.A O no hydrogen 2.613 N/A ARG 51.A N LEU 47.A O no hydrogen 2.429 N/A ARG 52.A N ALA 48.A O no hydrogen 3.012 N/A ARG 52.A NH2 ASP 156.A OD2 no hydrogen 3.472 N/A ALA 53.A N ARG 49.A O no hydrogen 3.219 N/A TRP 54.A N TYR 50.A O no hydrogen 3.006 N/A GLU 55.A N ARG 51.A O no hydrogen 2.836 N/A ARG 56.A N ARG 52.A O no hydrogen 2.649 N/A ARG 56.A NE PRO 155.A O no hydrogen 2.829 N/A LEU 57.A N ALA 53.A O no hydrogen 2.888 N/A VAL 58.A N TRP 54.A O no hydrogen 3.300 N/A ALA 59.A N GLU 55.A O no hydrogen 2.835 N/A HIS 60.A N ARG 56.A O no hydrogen 2.753 N/A HIS 61.A N LEU 57.A O no hydrogen 2.937 N/A HIS 61.A NE2 ASP 147.A OD2 no hydrogen 2.917 N/A LEU 64.A N HIS 61.A O no hydrogen 3.157 N/A ARG 65.A N PRO 62.A O no hydrogen 2.943 N/A THR 66.A N GLY 63.A O no hydrogen 3.361 N/A THR 66.A OG1 PRO 62.A O no hydrogen 2.862 N/A VAL 67.A N HIS 75.A O no hydrogen 3.179 N/A VAL 68.A N PRO 107.A O no hydrogen 3.031 N/A GLY 72.A N ARG 69.A O no hydrogen 3.107 N/A THR 73.A N ASP 71.A OD1 no hydrogen 2.431 N/A THR 73.A OG1 ASP 71.A OD1 no hydrogen 3.040 N/A THR 73.A OG1 ASP 71.A OD2 no hydrogen 3.425 N/A GLN 74.A N PHE 18.A O no hydrogen 3.282 N/A HIS 75.A N VAL 67.A O no hydrogen 3.202 N/A VAL 83.A N GLU 55.A OE2 no hydrogen 3.072 N/A ILE 85.A N VAL 83.A O no hydrogen 3.196 N/A GLU 88.A N VAL 117.A O no hydrogen 2.741 N/A LEU 90.A N LEU 119.A O no hydrogen 2.722 N/A ARG 91.A NE ASP 89.A OD1 no hydrogen 2.385 N/A ALA 96.A N ASP 93.A O no hydrogen 3.178 N/A ARG 98.A N ASP 95.A O no hydrogen 3.057 N/A ARG 99.A N ASP 95.A O no hydrogen 3.129 N/A LEU 100.A N ALA 96.A O no hydrogen 2.918 N/A GLU 101.A N ARG 98.A O no hydrogen 3.043 N/A GLY 108.A N ASP 106.A OD1 no hydrogen 2.931 N/A TRP 110.A NE1 LEU 64.A O no hydrogen 3.126 N/A ARG 116.A NH2 GLU 88.A OE2 no hydrogen 3.297 N/A VAL 117.A N THR 86.A O no hydrogen 3.230 N/A VAL 118.A N ARG 125.A O no hydrogen 3.200 N/A LEU 119.A N GLU 88.A O no hydrogen 2.895 N/A ARG 123.A N LEU 120.A O no hydrogen 3.451 N/A VAL 124.A N ARG 42.A O no hydrogen 2.636 N/A ARG 125.A N VAL 118.A O no hydrogen 3.038 N/A ARG 125.A NE GLU 39.A OE2 no hydrogen 2.578 N/A ARG 125.A NH1 GLU 41.A OE1 no hydrogen 2.529 N/A ARG 125.A NH2 GLU 39.A OE2 no hydrogen 3.014 N/A VAL 126.A N TRP 40.A O no hydrogen 2.941 N/A GLN 127.A N ARG 116.A O no hydrogen 3.022 N/A GLN 127.A NE2 GLU 39.A OE2 no hydrogen 3.521 N/A LEU 128.A N PHE 38.A O no hydrogen 3.179 N/A GLY 129.A N ASP 114.A O no hydrogen 2.724 N/A ILE 130.A N GLY 36.A O no hydrogen 3.285 N/A GLN 133.A N ASP 131.A OD1 no hydrogen 3.187 N/A SER 138.A N ASP 136.A OD1 no hydrogen 3.029 N/A SER 138.A OG ASP 136.A OD1 no hydrogen 2.938 N/A SER 138.A OG ASP 136.A OD2 no hydrogen 3.155 N/A SER 139.A N ASP 136.A OD1 no hydrogen 2.690 N/A SER 139.A OG GLY 276.A O no hydrogen 2.701 N/A LEU 140.A N ASP 136.A O no hydrogen 2.899 N/A PHE 141.A N ALA 137.A O no hydrogen 3.332 N/A LEU 142.A N SER 138.A O no hydrogen 2.710 N/A ASN 143.A N SER 139.A O no hydrogen 3.189 N/A LEU 144.A N SER 139.A O no hydrogen 2.922 N/A PHE 145.A N LEU 140.A O no hydrogen 2.950 N/A SER 146.A OG ARG 348.A O no hydrogen 3.487 N/A ASP 147.A N ASN 143.A O no hydrogen 2.967 N/A LEU 148.A N LEU 144.A O no hydrogen 2.903 N/A VAL 149.A N PHE 145.A O no hydrogen 2.982 N/A THR 150.A N SER 146.A O no hydrogen 3.342 N/A THR 150.A OG1 SER 146.A O no hydrogen 3.090 N/A LEU 151.A N ASP 147.A O no hydrogen 2.537 N/A TYR 152.A N LEU 148.A O no hydrogen 3.083 N/A ASP 153.A N VAL 149.A O no hydrogen 3.112 N/A ASP 154.A N THR 150.A O no hydrogen 3.031 N/A ASP 156.A N ASP 154.A OD1 no hydrogen 3.256 N/A ALA 157.A N ASP 154.A O no hydrogen 2.647 N/A LYS 163.A N SER 161.A O no hydrogen 3.083 N/A ASP 168.A N ALA 165.A O no hydrogen 3.013 N/A ALA 170.A N PHE 166.A O no hydrogen 3.111 N/A ARG 171.A N ARG 167.A O no hydrogen 2.942 N/A TRP 172.A N PHE 169.A O no hydrogen 3.230 N/A LEU 173.A N PHE 169.A O no hydrogen 2.955 N/A GLU 174.A N ALA 170.A O no hydrogen 2.904 N/A GLU 175.A N ARG 171.A O no hydrogen 3.314 N/A VAL 177.A N TRP 172.A O no hydrogen 2.858 N/A ARG 178.A N LEU 173.A O no hydrogen 2.944 N/A GLY 180.A N VAL 177.A O no hydrogen 3.381 N/A ARG 184.A N GLY 180.A O no hydrogen 3.039 N/A ASP 186.A N ARG 182.A O no hydrogen 2.909 N/A TRP 187.A N TRP 183.A O no hydrogen 2.908 N/A ALA 188.A N ARG 184.A O no hydrogen 3.265 N/A TYR 189.A OH ASP 307.A OD1 no hydrogen 2.870 N/A TRP 190.A N ASP 186.A O no hydrogen 3.374 N/A TRP 190.A NE1 HIS 310.A O no hydrogen 3.142 N/A GLN 191.A N TRP 187.A O no hydrogen 3.083 N/A GLU 192.A N ALA 188.A O no hydrogen 2.920 N/A ARG 193.A N TRP 190.A O no hydrogen 2.740 N/A LEU 194.A N TRP 190.A O no hydrogen 2.832 N/A GLY 196.A N ARG 193.A O no hydrogen 2.651 N/A GLU 210.A N HIS 385.A O no hydrogen 2.982 N/A ARG 211.A NH1 ASP 384.A OD1 no hydrogen 2.580 N/A CYS 212.A N TRP 383.A O no hydrogen 3.293 N/A VAL 214.A N LEU 381.A O no hydrogen 2.876 N/A ARG 215.A NH1 GLU 375.A OE1 no hydrogen 3.153 N/A CYS 216.A N LEU 379.A O no hydrogen 2.971 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.368 N/A PHE 221.A N PRO 217.A O no hydrogen 2.684 N/A ALA 222.A N ALA 218.A O no hydrogen 2.937 N/A LEU 223.A N GLU 219.A O no hydrogen 3.412 N/A LEU 224.A N GLU 220.A O no hydrogen 2.991 N/A ARG 225.A N PHE 221.A O no hydrogen 3.010 N/A ARG 225.A NH1 GLU 235.A OE1 no hydrogen 2.689 N/A ARG 225.A NH1 GLU 235.A OE2 no hydrogen 3.366 N/A GLU 226.A N ALA 222.A O no hydrogen 2.915 N/A ARG 227.A N LEU 223.A O no hydrogen 2.845 N/A ARG 227.A NE MET 409.A O no hydrogen 2.673 N/A ARG 227.A NH1 GLU 413.A OE1 no hydrogen 3.363 N/A ARG 227.A NH2 LEU 410.A O no hydrogen 3.144 N/A ARG 227.A NH2 GLU 413.A OE2 no hydrogen 3.467 N/A ALA 228.A N LEU 224.A O no hydrogen 3.206 N/A LEU 229.A N ARG 225.A O no hydrogen 2.833 N/A ALA 230.A N GLU 226.A O no hydrogen 3.004 N/A HIS 231.A N ALA 228.A O no hydrogen 3.265 N/A GLY 232.A N LEU 229.A O no hydrogen 2.370 N/A LEU 233.A N ALA 228.A O no hydrogen 2.709 N/A THR 234.A N GLU 237.A OE1 no hydrogen 3.319 N/A GLU 235.A N GLU 235.A OE1 no hydrogen 2.841 N/A THR 236.A OG1 SER 339.A OG no hydrogen 2.500 N/A GLU 237.A N THR 234.A O no hydrogen 2.340 N/A LEU 238.A N THR 234.A O no hydrogen 2.919 N/A LEU 239.A N GLU 235.A O no hydrogen 2.897 N/A VAL 240.A N THR 236.A O no hydrogen 2.918 N/A GLY 241.A N GLU 237.A O no hydrogen 3.217 N/A ALA 242.A N LEU 238.A O no hydrogen 2.773 N/A PHE 243.A N LEU 239.A O no hydrogen 2.842 N/A ALA 244.A N VAL 240.A O no hydrogen 2.841 N/A GLU 245.A N GLY 241.A O no hydrogen 3.118 N/A VAL 246.A N ALA 242.A O no hydrogen 3.044 N/A LEU 247.A N PHE 243.A O no hydrogen 3.047 N/A ARG 248.A N ALA 244.A O no hydrogen 3.361 N/A ARG 248.A NH1 PRO 254.A O no hydrogen 2.472 N/A GLY 249.A N GLU 245.A O no hydrogen 3.394 N/A GLY 249.A N VAL 246.A O no hydrogen 3.051 N/A SER 251.A N LEU 247.A O no hydrogen 2.806 N/A SER 251.A OG ASP 253.A O no hydrogen 2.366 N/A SER 252.A N ASP 202.A O no hydrogen 2.619 N/A ALA 255.A N ASP 253.A OD1 no hydrogen 2.777 N/A PHE 256.A N ALA 286.A O no hydrogen 3.135 N/A THR 257.A N PRO 199.A O no hydrogen 3.305 N/A THR 257.A OG1 PRO 198.A O no hydrogen 2.615 N/A LEU 258.A N LEU 284.A O no hydrogen 2.971 N/A ASN 259.A N VAL 335.A O no hydrogen 3.156 N/A VAL 260.A N ILE 282.A O no hydrogen 2.808 N/A VAL 262.A N ASN 280.A O no hydrogen 3.098 N/A ARG 265.A NH1 ILE 271.A O no hydrogen 2.967 N/A ARG 265.A NH2 ASN 143.A OD1 no hydrogen 2.917 N/A ILE 271.A N VAL 268.A O no hydrogen 3.313 N/A ASP 273.A N ILE 271.A O no hydrogen 2.570 N/A VAL 274.A N ILE 271.A O no hydrogen 2.898 N/A GLY 276.A N SER 139.A OG no hydrogen 2.750 N/A TYR 278.A OH VAL 274.A O no hydrogen 2.317 N/A THR 279.A OG1 ASP 277.A OD1 no hydrogen 3.067 N/A ASN 280.A N VAL 262.A O no hydrogen 3.097 N/A ASN 280.A ND2 GLN 264.A OE1 no hydrogen 3.045 N/A ASN 280.A ND2 ALA 311.A O no hydrogen 2.591 N/A ASN 280.A ND2 VAL 313.A O no hydrogen 3.699 N/A LEU 284.A N LEU 258.A O no hydrogen 3.040 N/A ALA 286.A N PHE 256.A O no hydrogen 2.747 N/A ARG 287.A NE GLU 285.A OE2 no hydrogen 2.640 N/A ARG 291.A N GLU 295.A OE1 no hydrogen 2.822 N/A THR 292.A OG1 GLU 420.A OE1 no hydrogen 3.286 N/A ALA 294.A N TRP 419.A O no hydrogen 2.993 N/A ARG 296.A N THR 292.A O no hydrogen 3.049 N/A ARG 296.A NE GLU 245.A OE1 no hydrogen 2.879 N/A ARG 296.A NE GLU 245.A OE2 no hydrogen 3.450 N/A ARG 296.A NH1 GLY 290.A O no hydrogen 3.551 N/A ARG 296.A NH1 ARG 291.A O no hydrogen 3.380 N/A ARG 296.A NH1 PRO 422.A O no hydrogen 2.848 N/A ARG 296.A NH2 GLU 245.A OE1 no hydrogen 2.847 N/A ARG 296.A NH2 PRO 422.A O no hydrogen 3.137 N/A ILE 297.A N VAL 293.A O no hydrogen 2.786 N/A VAL 298.A N ALA 294.A O no hydrogen 2.698 N/A ALA 299.A N GLU 295.A O no hydrogen 3.010 N/A LEU 300.A N ARG 296.A O no hydrogen 2.937 N/A ALA 301.A N ILE 297.A O no hydrogen 2.915 N/A ALA 302.A N VAL 298.A O no hydrogen 3.184 N/A ARG 303.A N ALA 299.A O no hydrogen 3.333 N/A ARG 303.A NH1 TYR 189.A OH no hydrogen 3.059 N/A LEU 304.A N LEU 300.A O no hydrogen 3.020 N/A LEU 304.A N ALA 301.A O no hydrogen 3.121 N/A ARG 305.A N ALA 301.A O no hydrogen 3.212 N/A ARG 305.A NH1 GLU 237.A OE2 no hydrogen 3.022 N/A ALA 306.A N ALA 302.A O no hydrogen 3.083 N/A ASP 307.A N ARG 303.A O no hydrogen 3.094 N/A THR 308.A N ARG 305.A O no hydrogen 2.857 N/A THR 308.A OG1 LEU 304.A O no hydrogen 3.257 N/A ARG 309.A N ARG 305.A O no hydrogen 2.702 N/A HIS 310.A ND1 ALA 306.A O no hydrogen 2.797 N/A SER 312.A OG ASP 186.A OD2 no hydrogen 2.462 N/A ASN 314.A ND2 THR 279.A O no hydrogen 3.085 N/A GLY 315.A N ASN 280.A OD1 no hydrogen 2.680 N/A VAL 316.A N ASN 314.A OD1 no hydrogen 2.758 N/A GLU 317.A N ASN 314.A O no hydrogen 2.747 N/A LEU 319.A N GLY 315.A O no hydrogen 2.586 N/A ARG 320.A N VAL 316.A O no hydrogen 3.118 N/A GLU 321.A N GLU 317.A O no hydrogen 2.957 N/A LEU 322.A N VAL 318.A O no hydrogen 2.709 N/A ALA 323.A N LEU 319.A O no hydrogen 3.180 N/A ARG 324.A N ARG 320.A O no hydrogen 2.921 N/A ARG 325.A N GLU 321.A O no hydrogen 2.949 N/A ARG 326.A N LEU 322.A O no hydrogen 2.953 N/A ARG 326.A NH1 LEU 197.A O no hydrogen 2.587 N/A ARG 326.A NH2 LEU 194.A O no hydrogen 2.568 N/A ARG 326.A NH2 LEU 197.A O no hydrogen 2.980 N/A VAL 336.A N LEU 368.A O no hydrogen 3.025 N/A VAL 337.A N ASN 259.A O no hydrogen 3.037 N/A THR 338.A N PHE 370.A O no hydrogen 2.656 N/A THR 338.A OG1 ASP 369.A OD1 no hydrogen 2.920 N/A SER 339.A OG THR 236.A OG1 no hydrogen 2.500 N/A LEU 340.A N ILE 372.A O no hydrogen 2.913 N/A LEU 341.A N SER 339.A OG no hydrogen 3.262 N/A ARG 348.A N SER 146.A OG no hydrogen 2.705 N/A ARG 348.A NE GLU 352.A OE1 no hydrogen 3.131 N/A ARG 348.A NE GLU 352.A OE2 no hydrogen 2.746 N/A ARG 348.A NH2 ASP 153.A OD2 no hydrogen 3.011 N/A ARG 348.A NH2 GLU 352.A OE1 no hydrogen 2.659 N/A SER 349.A N GLU 352.A OE2 no hydrogen 3.062 N/A SER 349.A OG THR 351.A OG1 no hydrogen 3.299 N/A THR 351.A OG1 SER 349.A OG no hydrogen 3.299 N/A THR 351.A OG1 ASP 376.A OD2 no hydrogen 3.310 N/A GLU 352.A N SER 349.A O no hydrogen 2.780 N/A PHE 353.A N ILE 350.A O no hydrogen 2.980 N/A GLY 354.A N ILE 350.A O no hydrogen 3.447 N/A THR 355.A N GLU 41.A O no hydrogen 3.212 N/A THR 355.A OG1 GLU 41.A O no hydrogen 3.431 N/A SER 359.A OG GLU 356.A OE1 no hydrogen 2.787 N/A ILE 360.A N TYR 37.A O no hydrogen 3.275 N/A SER 367.A N PRO 334.A O no hydrogen 2.846 N/A SER 367.A OG PRO 334.A O no hydrogen 2.908 N/A LEU 368.A N PRO 334.A O no hydrogen 3.023 N/A ASP 369.A N ASP 384.A O no hydrogen 2.846 N/A PHE 370.A N VAL 336.A O no hydrogen 2.765 N/A GLN 371.A N VAL 382.A O no hydrogen 2.665 N/A GLN 371.A NE2 ASP 384.A OD2 no hydrogen 3.346 N/A ILE 372.A N THR 338.A O no hydrogen 2.913 N/A ARG 373.A N ARG 380.A O no hydrogen 3.143 N/A ARG 373.A NH1 GLN 371.A OE1 no hydrogen 3.339 N/A ARG 373.A NH2 GLN 371.A OE1 no hydrogen 2.874 N/A GLU 375.A N GLU 378.A O no hydrogen 2.891 N/A GLU 378.A N GLU 375.A O no hydrogen 3.311 N/A LEU 379.A N CYS 216.A O no hydrogen 3.024 N/A ARG 380.A N ARG 373.A O no hydrogen 2.794 N/A LEU 381.A N VAL 214.A O no hydrogen 3.105 N/A VAL 382.A N GLN 371.A O no hydrogen 3.069 N/A TRP 383.A N CYS 212.A O no hydrogen 2.798 N/A ASP 384.A N ASP 369.A O no hydrogen 3.092 N/A HIS 385.A N GLU 210.A O no hydrogen 2.954 N/A ARG 386.A N SER 367.A O no hydrogen 2.632 N/A SER 387.A N LYS 208.A O no hydrogen 3.108 N/A SER 387.A OG LYS 208.A O no hydrogen 2.976 N/A ALA 389.A N ARG 386.A O no hydrogen 2.949 N/A ALA 391.A N PRO 204.A O no hydrogen 2.721 N/A VAL 394.A N ALA 391.A O no hydrogen 3.145 N/A GLU 396.A N GLU 396.A OE1 no hydrogen 2.759 N/A GLY 397.A N GLY 393.A O no hydrogen 2.432 N/A ALA 398.A N VAL 394.A O no hydrogen 2.877 N/A PHE 399.A N VAL 395.A O no hydrogen 2.882 N/A GLU 400.A N GLU 396.A O no hydrogen 3.244 N/A ALA 401.A N GLY 397.A O no hydrogen 3.031 N/A PHE 402.A N ALA 398.A O no hydrogen 2.826 N/A LEU 403.A N PHE 399.A O no hydrogen 2.902 N/A ASP 404.A N GLU 400.A O no hydrogen 3.190 N/A ASP 404.A N ALA 401.A O no hydrogen 2.876 N/A LEU 405.A N ALA 401.A O no hydrogen 2.847 N/A VAL 406.A N PHE 402.A O no hydrogen 2.985 N/A ARG 408.A N ASP 404.A O no hydrogen 2.808 N/A MET 409.A N LEU 405.A O no hydrogen 2.989 N/A LEU 410.A N VAL 406.A O no hydrogen 3.217 N/A ALA 411.A N ARG 408.A O no hydrogen 2.608 N/A ASP 412.A N MET 409.A O no hydrogen 3.502 N/A HIS 416.A N GLU 413.A O no hydrogen 2.940 N/A VAL 418.A N ASP 412.A OD2 no hydrogen 2.870 N/A TRP 419.A N HIS 416.A O no hydrogen 3.247 N/A TRP 419.A NE1 ASP 412.A O no hydrogen 2.469 N/A ALA 421.A N VAL 418.A O no hydrogen 3.102 N/A ARG 427.A NE ASP 425.A OD2 no hydrogen 3.056 N/A SER 428.A N ASP 431.A OD2 no hydrogen 2.752 N/A SER 428.A OG ASP 431.A OD2 no hydrogen 2.491 N/A ASP 431.A N SER 428.A OG no hydrogen 3.207 N/A ARG 432.A N SER 428.A O no hydrogen 2.928 N/A ALA 433.A N ARG 429.A O no hydrogen 2.837 N/A VAL 434.A N ARG 430.A O no hydrogen 2.769 N/A TRP 435.A N ASP 431.A O no hydrogen 3.067 N/A TRP 435.A NE1 TYR 771.A O no hydrogen 2.943 N/A ASN 436.A N ARG 432.A O no hydrogen 2.708 N/A GLU 437.A N ALA 433.A O no hydrogen 2.864 N/A THR 438.A N VAL 434.A O no hydrogen 2.857 N/A THR 438.A OG1 VAL 434.A O no hydrogen 3.070 N/A ASN 439.A N TRP 435.A O no hydrogen 2.944 N/A ASN 439.A ND2 TRP 435.A O no hydrogen 2.789 N/A ASP 440.A N GLU 437.A O no hydrogen 3.473 N/A THR 441.A OG1 GLN 769.A O no hydrogen 2.613 N/A VAL 448.A N PRO 446.A O no hydrogen 2.642 N/A LEU 450.A N HIS 607.A ND1 no hydrogen 2.986 N/A GLN 451.A N GLN 451.A OE1 no hydrogen 3.044 N/A ARG 453.A N LEU 450.A O no hydrogen 3.135 N/A PHE 454.A N LEU 450.A O no hydrogen 3.471 N/A PHE 455.A N GLN 451.A O no hydrogen 2.898 N/A ALA 456.A N GLU 452.A O no hydrogen 3.438 N/A GLN 457.A N ARG 453.A O no hydrogen 3.158 N/A GLN 457.A N PHE 454.A O no hydrogen 2.901 N/A GLN 457.A NE2 THR 461.A OG1 no hydrogen 3.320 N/A ALA 458.A N PHE 454.A O no hydrogen 2.872 N/A ARG 459.A N PHE 455.A O no hydrogen 2.964 N/A ARG 460.A NE GLN 457.A OE1 no hydrogen 2.361 N/A ARG 460.A NH2 GLN 457.A OE1 no hydrogen 2.587 N/A THR 461.A N GLN 457.A O no hydrogen 2.634 N/A THR 461.A OG1 THR 461.A O no hydrogen 2.367 N/A ALA 464.A N THR 461.A O no hydrogen 3.441 N/A ALA 466.A N LEU 474.A O no hydrogen 2.902 N/A VAL 468.A N VAL 654.A O no hydrogen 3.227 N/A ALA 469.A N LEU 472.A O no hydrogen 3.358 N/A ARG 473.A NE GLU 465.A OE2 no hydrogen 2.591 N/A ARG 473.A NH2 GLU 675.A OE2 no hydrogen 3.137 N/A THR 475.A OG1 PRO 462.A O no hydrogen 2.429 N/A THR 475.A OG1 ALA 464.A O no hydrogen 3.047 N/A TYR 476.A N ALA 464.A O no hydrogen 2.962 N/A TYR 476.A OH LEU 648.A O no hydrogen 3.207 N/A TYR 476.A OH ALA 652.A O no hydrogen 2.881 N/A ASP 477.A N PRO 462.A O no hydrogen 3.302 N/A LEU 479.A N THR 475.A O no hydrogen 2.858 N/A ALA 480.A N TYR 476.A O no hydrogen 2.635 N/A ARG 481.A N ASP 477.A O no hydrogen 2.690 N/A ARG 481.A NH1.B ASP 477.A OD2 no hydrogen 3.496 N/A HIS 482.A N GLU 478.A O no hydrogen 2.896 N/A HIS 482.A ND1 HIS 482.A O no hydrogen 2.705 N/A ALA 483.A N LEU 479.A O no hydrogen 2.992 N/A TYR 484.A N ALA 480.A O no hydrogen 3.008 N/A ARG 485.A N ARG 481.A O no hydrogen 2.768 N/A ILE 486.A N HIS 482.A O no hydrogen 2.821 N/A GLY 487.A N ALA 483.A O no hydrogen 2.336 N/A ASN 488.A N TYR 484.A O no hydrogen 2.688 N/A ASN 488.A ND2 TYR 484.A O no hydrogen 3.458 N/A ASN 488.A ND2 SER 578.A O no hydrogen 3.020 N/A ASN 488.A ND2 ALA 580.A O no hydrogen 2.721 N/A THR 489.A N ARG 485.A O no hydrogen 3.221 N/A THR 489.A OG1 ARG 485.A O no hydrogen 2.213 N/A LEU 490.A N ILE 486.A O no hydrogen 3.140 N/A ARG 491.A N GLY 487.A O no hydrogen 3.088 N/A ARG 491.A NH2 ALA 520.A O no hydrogen 2.846 N/A ARG 491.A NH2 THR 583.A O no hydrogen 2.930 N/A GLU 492.A N ASN 488.A O no hydrogen 2.936 N/A ARG 493.A N THR 489.A O no hydrogen 3.031 N/A GLY 494.A N ARG 491.A O no hydrogen 2.941 N/A VAL 495.A N LEU 490.A O no hydrogen 3.286 N/A GLY 498.A N GLY 522.A O no hydrogen 3.138 N/A ASP 499.A N ARG 496.A O no hydrogen 3.322 N/A VAL 501.A N ALA 524.A O no hydrogen 3.315 N/A VAL 503.A N LEU 526.A O no hydrogen 3.096 N/A GLY 508.A N GLN 511.A OE1 no hydrogen 3.179 N/A GLU 510.A N GLU 510.A OE1 no hydrogen 2.938 N/A GLN 511.A N GLY 508.A O no hydrogen 3.016 N/A TYR 512.A N TRP 509.A O no hydrogen 3.008 N/A TYR 512.A OH ASP 643.A O no hydrogen 3.180 N/A ALA 514.A N GLU 510.A O no hydrogen 3.107 N/A VAL 515.A N GLN 511.A O no hydrogen 3.099 N/A TYR 516.A N TYR 512.A O no hydrogen 3.326 N/A TYR 516.A OH VAL 644.A O no hydrogen 3.198 N/A GLY 517.A N ALA 513.A O no hydrogen 2.976 N/A ILE 518.A N ALA 514.A O no hydrogen 3.126 N/A LEU 519.A N VAL 515.A O no hydrogen 3.036 N/A ALA 520.A N TYR 516.A O no hydrogen 3.320 N/A ALA 521.A N GLY 517.A O no hydrogen 2.644 N/A GLY 522.A N LEU 519.A O no hydrogen 2.829 N/A GLY 523.A N ILE 518.A O no hydrogen 2.818 N/A ALA 524.A N ASP 499.A O no hydrogen 3.035 N/A TYR 525.A N ALA 592.A O no hydrogen 3.216 N/A LEU 526.A N VAL 501.A O no hydrogen 3.280 N/A SER 532.A N ASP 529.A O no hydrogen 3.381 N/A SER 532.A OG ASP 529.A O no hydrogen 3.037 N/A ARG 536.A N PRO 533.A O no hydrogen 3.178 N/A VAL 537.A N PRO 533.A O no hydrogen 3.525 N/A ARG 539.A N GLY 535.A O no hydrogen 3.233 N/A LEU 540.A N ARG 536.A O no hydrogen 2.866 N/A GLU 542.A N ALA 538.A O no hydrogen 3.026 N/A SER 543.A N ARG 539.A O no hydrogen 3.030 N/A ALA 544.A N LEU 540.A O no hydrogen 3.047 N/A GLY 545.A N GLU 542.A O no hydrogen 3.299 N/A ALA 546.A N LEU 541.A O no hydrogen 3.133 N/A VAL 549.A N THR 566.A O no hydrogen 2.987 N/A LEU 550.A N GLY 502.A O no hydrogen 2.834 N/A THR 551.A N LEU 568.A O no hydrogen 3.035 N/A THR 551.A OG1 VAL 504.A O no hydrogen 3.534 N/A GLN 552.A NE2 GLU 506.A O no hydrogen 2.853 N/A SER 553.A N ASP 571.A OD1 no hydrogen 2.860 N/A ARG 556.A N SER 553.A O no hydrogen 3.161 N/A ARG 556.A NH1 ARG 556.A O no hydrogen 2.780 N/A THR 565.A OG1 PRO 562.A O no hydrogen 3.375 N/A LEU 568.A N VAL 549.A O no hydrogen 3.219 N/A ARG 569.A N ASP 573.A OD2 no hydrogen 2.774 N/A ASP 571.A N ASP 571.A OD1 no hydrogen 2.311 N/A PHE 574.A N THR 572.A O no hydrogen 2.512 N/A GLU 575.A N THR 572.A O no hydrogen 3.394 N/A ALA 580.A N SER 578.A OG no hydrogen 3.246 N/A GLN 586.A NE2 LEU 519.A O no hydrogen 2.770 N/A GLY 587.A N ASP 590.A OD2 no hydrogen 3.335 N/A ASP 590.A N GLY 587.A O no hydrogen 3.054 N/A ALA 592.A N VAL 605.A O no hydrogen 2.745 N/A TYR 593.A N VAL 605.A O no hydrogen 3.205 N/A VAL 594.A N TYR 525.A O no hydrogen 3.303 N/A ILE 595.A N VAL 603.A O no hydrogen 3.165 N/A THR 597.A N LYS 601.A O no hydrogen 2.964 N/A THR 597.A OG1 LYS 601.A O no hydrogen 3.335 N/A LYS 601.A N THR 597.A O no hydrogen 2.880 N/A VAL 603.A N ILE 595.A O no hydrogen 2.633 N/A VAL 604.A N GLY 800.A O no hydrogen 2.966 N/A VAL 605.A N TYR 593.A O no hydrogen 2.966 N/A HIS 607.A N ASP 590.A O no hydrogen 2.968 N/A HIS 607.A NE2 GLN 586.A OE1 no hydrogen 3.042 N/A ARG 608.A N PRO 588.A O no hydrogen 2.720 N/A ARG 608.A NE ASP 589.A OD1 no hydrogen 2.689 N/A ALA 611.A N HIS 607.A O no hydrogen 2.850 N/A ASN 612.A N ARG 608.A O no hydrogen 2.818 N/A ASN 612.A N GLY 609.A O no hydrogen 3.053 N/A ASN 612.A ND2 ALA 767.A O no hydrogen 2.996 N/A LEU 613.A N GLY 609.A O no hydrogen 3.060 N/A VAL 614.A N VAL 610.A O no hydrogen 3.011 N/A ARG 615.A N ALA 611.A O no hydrogen 3.347 N/A ASP 616.A N LEU 613.A O no hydrogen 3.131 N/A VAL 617.A N LEU 613.A O no hydrogen 3.136 N/A ARG 618.A N VAL 614.A O no hydrogen 3.208 N/A ARG 620.A N ASP 616.A O no hydrogen 2.288 N/A ARG 620.A NE ASP 616.A OD1 no hydrogen 2.844 N/A ARG 620.A NH2 ASP 616.A OD1 no hydrogen 3.461 N/A ARG 620.A NH2 ASP 616.A OD2 no hydrogen 3.154 N/A PHE 621.A N VAL 617.A O no hydrogen 2.905 N/A VAL 623.A N ARG 618.A O no hydrogen 3.169 N/A THR 624.A N ASP 627.A OD2 no hydrogen 3.128 N/A ASP 627.A N THR 624.A O no hydrogen 3.035 N/A ARG 628.A N THR 678.A OG1 no hydrogen 3.071 N/A ARG 628.A NE GLU 675.A O no hydrogen 2.641 N/A ARG 628.A NH1 GLU 465.A OE1 no hydrogen 2.866 N/A ARG 628.A NH2 GLU 465.A OE1 no hydrogen 3.009 N/A ARG 628.A NH2 GLU 675.A O no hydrogen 3.568 N/A LEU 629.A N THR 653.A O no hydrogen 2.770 N/A LEU 630.A N PHE 679.A O no hydrogen 3.145 N/A HIS 636.A N HIS 636.A ND1 no hydrogen 2.814 N/A SER 640.A N PHE 637.A O no hydrogen 3.023 N/A SER 640.A OG LEU 635.A O no hydrogen 3.501 N/A SER 640.A OG PHE 637.A O no hydrogen 3.341 N/A VAL 641.A N ASP 638.A O no hydrogen 3.252 N/A VAL 644.A N SER 640.A O no hydrogen 2.898 N/A PHE 645.A N VAL 641.A O no hydrogen 3.277 N/A GLY 646.A N TYR 642.A O no hydrogen 2.584 N/A ALA 649.A N GLY 646.A O no hydrogen 3.187 N/A CYS 650.A N PRO 647.A O no hydrogen 3.097 N/A CYS 650.A SG VAL 623.A O no hydrogen 3.696 N/A CYS 650.A SG PRO 647.A O no hydrogen 3.354 N/A GLY 651.A N PRO 647.A O no hydrogen 3.213 N/A ALA 652.A N PRO 647.A O no hydrogen 3.105 N/A THR 653.A N ASP 627.A O no hydrogen 3.149 N/A THR 653.A OG1 GLU 465.A O no hydrogen 2.475 N/A VAL 667.A N ASP 666.A OD1 no hydrogen 2.732 N/A TRP 668.A N GLU 664.A O no hydrogen 3.386 N/A ALA 669.A N PRO 665.A O no hydrogen 2.998 N/A GLU 670.A N ASP 666.A O no hydrogen 3.097 N/A LEU 671.A N VAL 667.A O no hydrogen 2.753 N/A VAL 672.A N TRP 668.A O no hydrogen 2.705 N/A ARG 673.A N ALA 669.A O no hydrogen 2.901 N/A ASP 674.A N GLU 670.A O no hydrogen 2.666 N/A GLU 675.A N LEU 671.A O no hydrogen 2.990 N/A VAL 677.A N VAL 672.A O no hydrogen 3.222 N/A THR 678.A N ARG 628.A O no hydrogen 2.823 N/A THR 678.A OG1 ASP 627.A OD1 no hydrogen 2.906 N/A PHE 679.A N ARG 628.A O no hydrogen 3.185 N/A TRP 680.A N LEU 707.A O no hydrogen 2.986 N/A TRP 680.A NE1 SER 682.A OG no hydrogen 2.993 N/A ASN 681.A ND2 ALA 639.A O no hydrogen 2.942 N/A ASN 681.A ND2 ASP 643.A OD1 no hydrogen 2.846 N/A ASN 681.A ND2 ASP 643.A OD2 no hydrogen 3.372 N/A SER 682.A N VAL 709.A O no hydrogen 3.457 N/A SER 682.A OG VAL 683.A O no hydrogen 3.170 N/A LEU 686.A N VAL 683.A O no hydrogen 3.263 N/A LEU 687.A N VAL 683.A O no hydrogen 3.395 N/A LEU 689.A N VAL 685.A O no hydrogen 3.000 N/A LEU 690.A N LEU 686.A O no hydrogen 2.939 N/A GLY 692.A N GLU 688.A O no hydrogen 2.616 N/A GLU 693.A N LEU 689.A O no hydrogen 3.057 N/A ALA 694.A N LEU 690.A O no hydrogen 3.013 N/A GLU 695.A N VAL 691.A O no hydrogen 2.967 N/A SER 696.A N GLY 692.A O no hydrogen 3.423 N/A SER 696.A OG GLY 692.A O no hydrogen 2.909 N/A SER 696.A OG GLU 693.A O no hydrogen 3.523 N/A ARG 697.A NE ASP 699.A OD1 no hydrogen 3.214 N/A ARG 697.A NE ASP 699.A OD2 no hydrogen 3.032 N/A ARG 697.A NH1 GLU 693.A OE2 no hydrogen 3.198 N/A ARG 697.A NH2 ASP 699.A OD2 no hydrogen 2.493 N/A ASP 699.A N ASP 699.A OD1 no hydrogen 2.412 N/A ALA 703.A N ARG 700.A O no hydrogen 3.088 N/A THR 704.A OG1 VAL 677.A O no hydrogen 2.757 N/A LEU 705.A N LEU 702.A O no hydrogen 3.363 N/A ARG 706.A N THR 678.A O no hydrogen 3.208 N/A ARG 706.A NE ASP 627.A OD1 no hydrogen 2.672 N/A ARG 706.A NH2 PHE 621.A O no hydrogen 2.348 N/A VAL 709.A N TRP 680.A O no hydrogen 2.940 N/A VAL 710.A N VAL 733.A O no hydrogen 3.134 N/A LEU 719.A N PRO 716.A O no hydrogen 3.051 N/A GLY 721.A N ASP 718.A O no hydrogen 3.021 N/A ARG 722.A N ASP 718.A O no hydrogen 3.430 N/A ARG 722.A NH2 GLU 695.A OE1 no hydrogen 3.096 N/A ALA 723.A N LEU 719.A O no hydrogen 3.258 N/A ARG 724.A N PRO 720.A O no hydrogen 3.259 N/A ALA 725.A N GLY 721.A O no hydrogen 2.753 N/A GLN 726.A NE2 ARG 722.A O no hydrogen 3.575 N/A LEU 730.A N ALA 727.A O no hydrogen 3.243 N/A ARG 731.A N ARG 706.A O no hydrogen 3.354 N/A VAL 733.A N ALA 708.A O no hydrogen 3.100 N/A GLY 734.A N HIS 748.A O no hydrogen 3.052 N/A SER 735.A N VAL 710.A O no hydrogen 2.840 N/A SER 735.A OG LEU 746.A O no hydrogen 2.757 N/A GLU 740.A N GLU 740.A OE2 no hydrogen 2.768 N/A THR 741.A N PRO 738.A O no hydrogen 2.676 N/A CYS 743.A N ASP 638.A OD1 no hydrogen 3.267 N/A CYS 743.A SG ASP 638.A O no hydrogen 3.237 N/A CYS 743.A SG ALA 639.A O no hydrogen 3.543 N/A SER 745.A N GLY 736.A O no hydrogen 3.078 N/A SER 745.A OG GLY 736.A O no hydrogen 3.246 N/A SER 745.A OG TYR 771.A OH no hydrogen 2.259 N/A PHE 747.A N LYS 764.A O no hydrogen 3.120 N/A HIS 748.A N GLY 734.A O no hydrogen 2.941 N/A ILE 750.A N VAL 732.A O no hydrogen 3.159 N/A GLN 756.A N ASP 754.A OD1 no hydrogen 3.020 N/A TRP 757.A N ASP 754.A O no hydrogen 3.517 N/A TYR 762.A N ILE 837.A O no hydrogen 2.737 N/A LYS 764.A N PHE 747.A O no hydrogen 3.289 N/A ILE 766.A N SER 745.A O no hydrogen 3.400 N/A ASN 768.A N THR 441.A O no hydrogen 2.538 N/A ASN 768.A ND2 GLU 443.A O no hydrogen 3.157 N/A GLN 769.A NE2 THR 741.A O no hydrogen 3.212 N/A GLN 769.A NE2 GLY 796.A O no hydrogen 3.365 N/A ARG 770.A N ALA 792.A O no hydrogen 2.827 N/A ARG 770.A NE GLU 820.A OE2 no hydrogen 2.607 N/A ARG 770.A NH1 ASN 439.A O no hydrogen 2.641 N/A ARG 770.A NH2 TYR 772.A OH no hydrogen 3.228 N/A TYR 771.A N ASN 439.A OD1 no hydrogen 3.012 N/A TYR 771.A OH SER 745.A OG no hydrogen 2.259 N/A TYR 772.A N ALA 790.A O no hydrogen 3.038 N/A TYR 772.A OH GLU 820.A OE1 no hydrogen 2.804 N/A VAL 774.A N GLU 788.A O no hydrogen 3.063 N/A ASP 775.A N ARG 779.A O no hydrogen 2.930 N/A ASP 777.A N ASP 775.A OD1 no hydrogen 2.959 N/A LEU 778.A N ASP 775.A O no hydrogen 2.936 N/A ARG 779.A N ASP 775.A OD1 no hydrogen 2.949 N/A ARG 781.A N ILE 773.A O no hydrogen 2.866 N/A ARG 781.A NH1 SER 251.A O no hydrogen 3.510 N/A ARG 781.A NH1 ARG 786.A O no hydrogen 2.398 N/A ARG 781.A NH2 ARG 248.A O no hydrogen 3.133 N/A ARG 781.A NH2 GLY 249.A O no hydrogen 2.840 N/A ARG 781.A NH2 SER 251.A O no hydrogen 2.711 N/A THR 783.A N ASP 431.A OD1 no hydrogen 2.953 N/A THR 783.A OG1 ASP 431.A OD1 no hydrogen 2.451 N/A TRP 784.A N LEU 831.A O no hydrogen 3.037 N/A ALA 785.A N PRO 782.A O no hydrogen 3.138 N/A GLY 787.A N GLY 829.A O no hydrogen 2.957 N/A GLU 788.A N VAL 774.A O no hydrogen 3.175 N/A MET 789.A N ASP 827.A O no hydrogen 2.721 N/A ALA 790.A N TYR 772.A O no hydrogen 3.150 N/A VAL 791.A N TYR 823.A O no hydrogen 3.004 N/A ALA 792.A N ARG 770.A O no hydrogen 2.629 N/A SER 793.A N ARG 821.A O no hydrogen 3.151 N/A SER 793.A OG ASN 768.A O no hydrogen 2.853 N/A GLY 796.A N SER 793.A OG no hydrogen 2.564 N/A ALA 798.A N GLU 740.A O no hydrogen 3.259 N/A LEU 799.A N VAL 604.A O no hydrogen 2.771 N/A TYR 801.A N THR 808.A OG1 no hydrogen 2.540 N/A TYR 801.A OH GLU 740.A OE1 no hydrogen 2.320 N/A LEU 802.A N GLY 602.A O no hydrogen 2.659 N/A GLU 806.A N ASP 804.A OD1 no hydrogen 2.794 N/A ARG 807.A N ASP 804.A OD1 no hydrogen 2.657 N/A THR 808.A OG1 TYR 801.A O no hydrogen 3.565 N/A THR 808.A OG1 ASP 804.A O no hydrogen 3.251 N/A ALA 809.A N PRO 805.A O no hydrogen 3.301 N/A ALA 810.A N GLU 806.A O no hydrogen 2.894 N/A LYS 811.A N ARG 807.A O no hydrogen 3.252 N/A PHE 812.A N THR 808.A O no hydrogen 2.924 N/A VAL 813.A N ALA 822.A O no hydrogen 2.847 N/A LEU 815.A N GLU 820.A O no hydrogen 3.035 N/A THR 818.A OG1 GLU 820.A OE1 no hydrogen 2.596 N/A GLY 819.A N LEU 815.A O no hydrogen 3.016 N/A GLU 820.A N THR 818.A OG1 no hydrogen 3.144 N/A ARG 821.A NH2 ALA 798.A O no hydrogen 3.074 N/A ALA 822.A N VAL 813.A O no hydrogen 2.798 N/A TYR 823.A N VAL 791.A O no hydrogen 2.923 N/A TYR 823.A OH TYR 801.A OH no hydrogen 3.002 N/A LEU 824.A N LYS 811.A O no hydrogen 2.863 N/A THR 825.A N MET 789.A O no hydrogen 3.116 N/A THR 825.A OG1 MET 789.A O no hydrogen 2.407 N/A GLY 826.A N GLU 788.A OE2 no hydrogen 2.756 N/A ASP 827.A N THR 825.A OG1 no hydrogen 3.274 N/A PHE 828.A N GLY 841.A O no hydrogen 2.712 N/A GLY 829.A N GLY 787.A O no hydrogen 2.842 N/A ARG 830.A N GLU 838.A O no hydrogen 2.984 N/A ARG 830.A NE GLU 838.A OE1 no hydrogen 2.840 N/A ARG 830.A NH2 ALA 205.A O no hydrogen 3.490 N/A LEU 832.A N GLY 836.A O no hydrogen 2.652 N/A GLY 835.A N LEU 832.A O no hydrogen 3.215 N/A GLY 836.A N ASP 834.A OD1 no hydrogen 2.886 N/A ILE 837.A N GLY 763.A O no hydrogen 3.095 N/A GLU 838.A N ARG 830.A O no hydrogen 2.935 N/A LEU 840.A N PHE 828.A O no hydrogen 2.610 N/A ARG 842.A NE GLY 826.A O no hydrogen 3.306 N/A ARG 842.A NE ASP 827.A OD1 no hydrogen 3.322 N/A LEU 852.A N ARG 849.A O no hydrogen 2.300 N/A GLY 853.A N ARG 849.A O no hydrogen 2.974 N/A GLU 854.A N ILE 850.A O no hydrogen 2.803 N/A VAL 857.A N ASP 863.A O no hydrogen 2.947 N/A SER 871.A OG LEU 874.A O no hydrogen 3.135 N/A LEU 879.A N VAL 864.A O no hydrogen 2.837 N/A THR 885.A N GLY 888.A O no hydrogen 2.903 N/A THR 885.A OG1 GLY 888.A O no hydrogen 3.020 N/A ASP 891.A N PRO 883.A O no hydrogen 2.916 N/A ARG 892.A N VAL 890.A O no hydrogen 2.756 N/A ALA 894.A N ASP 891.A OD1 no hydrogen 2.872 N/A LEU 895.A N ASP 891.A O no hydrogen 3.349 N/A