Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8j89_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.506 N/A LYS 4.A NZ ASP 27.A OD1 no hydrogen 2.962 N/A LYS 4.A NZ ASP 27.A OD2 no hydrogen 3.472 N/A TYR 5.A OH TYR 90.A OH no hydrogen 2.666 N/A THR 6.A N MET 54.A O no hydrogen 2.912 N/A ARG 7.A NH2 ALA 11.A O no hydrogen 3.383 N/A ALA 8.A N TYR 90.A OH no hydrogen 3.186 N/A ARG 9.A N PHE 49.A O no hydrogen 3.186 N/A ARG 9.A NH1 ASP 50.A OD1 no hydrogen 3.293 N/A ALA 11.A N ALA 8.A O no hydrogen 3.330 N/A GLY 12.A N ARG 89.A O no hydrogen 3.132 N/A GLY 13.A N ASN 10.A O no hydrogen 3.242 N/A ARG 15.A NE ASP 18.A OD2 no hydrogen 2.457 N/A ARG 15.A NH2 ASP 18.A OD2 no hydrogen 3.223 N/A ALA 16.A N GLY 13.A O no hydrogen 3.304 N/A GLN 17.A NE2 LEU 88.A O no hydrogen 3.129 N/A ASP 18.A N ARG 15.A O no hydrogen 3.098 N/A CYS 19.A N ALA 16.A O no hydrogen 2.964 N/A CYS 19.A SG ARG 15.A O no hydrogen 3.269 N/A MET 20.A N PHE 51.A O no hydrogen 3.097 N/A LEU 21.A N CYS 92.A O no hydrogen 2.856 N/A LEU 22.A N GLY 53.A O no hydrogen 2.743 N/A ALA 23.A N VAL 94.A O no hydrogen 2.678 N/A ALA 24.A N ILE 55.A O no hydrogen 2.830 N/A GLU 25.A N CYS 96.A O no hydrogen 3.261 N/A LEU 30.A N GLY 26.A O no hydrogen 3.009 N/A SER 31.A N ASP 27.A O no hydrogen 2.956 N/A SER 31.A OG SER 28.A O no hydrogen 2.488 N/A LEU 32.A N SER 28.A O no hydrogen 3.161 N/A LEU 33.A N ALA 29.A O no hydrogen 2.974 N/A ARG 34.A N LEU 30.A O no hydrogen 2.858 N/A THR 35.A N SER 31.A O no hydrogen 2.967 N/A THR 35.A OG1 SER 31.A O no hydrogen 2.980 N/A GLY 36.A N LEU 32.A O no hydrogen 3.002 N/A LEU 37.A N LEU 33.A O no hydrogen 2.776 N/A THR 38.A OG1 ARG 34.A O no hydrogen 2.261 N/A SER 42.A N LEU 39.A O no hydrogen 3.374 N/A SER 42.A OG LEU 39.A O no hydrogen 2.653 N/A ASN 43.A N GLY 40.A O no hydrogen 3.064 N/A ASN 43.A ND2 PHE 188.A O no hydrogen 2.596 N/A GLY 46.A N ASN 43.A O no hydrogen 3.212 N/A ASP 50.A N SER 48.A OG no hydrogen 3.314 N/A CYS 52.A SG MET 20.A O no hydrogen 3.775 N/A GLY 53.A N MET 20.A O no hydrogen 2.995 N/A MET 54.A N THR 6.A O no hydrogen 3.023 N/A ILE 55.A N LEU 22.A O no hydrogen 2.807 N/A LEU 57.A N ALA 24.A O no hydrogen 2.733 N/A GLY 58.A N SER 56.A OG no hydrogen 3.392 N/A THR 59.A OG1 ASN 60.A OD1 no hydrogen 3.394 N/A GLN 65.A N ASN 61.A O no hydrogen 3.182 N/A GLN 65.A NE2 THR 59.A O no hydrogen 2.412 N/A GLY 66.A N LYS 62.A O no hydrogen 3.242 N/A ILE 67.A N VAL 63.A O no hydrogen 3.292 N/A VAL 68.A N LEU 64.A O no hydrogen 3.080 N/A GLN 69.A N GLN 65.A O no hydrogen 2.860 N/A VAL 70.A N GLY 66.A O no hydrogen 2.952 N/A LEU 71.A N ILE 67.A O no hydrogen 3.006 N/A GLY 72.A N GLN 69.A O no hydrogen 3.334 N/A LEU 73.A N VAL 68.A O no hydrogen 3.065 N/A ASP 74.A N TYR 79.A OH no hydrogen 2.957 N/A CYS 77.A SG ASP 74.A O no hydrogen 3.403 N/A CYS 77.A SG GLU 84.A OE2 no hydrogen 3.167 N/A LYS 80.A N HIS 78.A O no hydrogen 2.803 N/A ARG 85.A N THR 81.A O no hydrogen 3.069 N/A ARG 85.A NH1 TYR 79.A O no hydrogen 3.258 N/A ARG 85.A NH2 GLN 82.A OE1 no hydrogen 2.615 N/A ALA 86.A N GLN 82.A O no hydrogen 3.050 N/A ALA 86.A N GLU 83.A O no hydrogen 3.331 N/A LYS 87.A N GLU 84.A O no hydrogen 3.172 N/A LEU 88.A N ARG 85.A O no hydrogen 3.286 N/A ARG 89.A N LEU 71.A O no hydrogen 3.093 N/A ARG 89.A NH1 VAL 70.A O no hydrogen 3.505 N/A TYR 90.A OH TYR 5.A OH no hydrogen 2.666 N/A GLY 91.A N CYS 19.A O no hydrogen 2.633 N/A ILE 93.A N PHE 127.A O no hydrogen 2.993 N/A VAL 94.A N LEU 21.A O no hydrogen 2.683 N/A ALA 95.A N LYS 129.A O no hydrogen 3.052 N/A CYS 96.A N ALA 23.A O no hydrogen 2.724 N/A CYS 96.A SG VAL 94.A O no hydrogen 4.022 N/A ASP 98.A N GLU 25.A OE1 no hydrogen 3.073 N/A GLN 99.A NE2 THR 133.A O no hydrogen 2.326 N/A CYS 104.A N ASP 98.A O no hydrogen 2.896 N/A CYS 104.A SG ASP 98.A O no hydrogen 3.527 N/A CYS 104.A SG ASP 100.A O no hydrogen 4.002 N/A LYS 106.A N GLY 103.A O no hydrogen 3.281 N/A ILE 107.A N GLY 103.A O no hydrogen 2.952 N/A LEU 108.A N GLY 103.A O no hydrogen 3.468 N/A LEU 110.A N LYS 106.A O no hydrogen 3.039 N/A LEU 111.A N ILE 107.A O no hydrogen 3.108 N/A LEU 112.A N LEU 108.A O no hydrogen 2.928 N/A ALA 113.A N GLY 109.A O no hydrogen 2.863 N/A TYR 114.A N LEU 110.A O no hydrogen 2.756 N/A PHE 115.A N LEU 111.A O no hydrogen 3.099 N/A HIS 116.A N LEU 112.A O no hydrogen 2.796 N/A LEU 117.A N ALA 113.A O no hydrogen 2.885 N/A PHE 118.A N TYR 114.A O no hydrogen 3.422 N/A TRP 119.A N PHE 115.A O no hydrogen 2.779 N/A TRP 119.A NE1 ASP 74.A O no hydrogen 2.837 N/A LEU 122.A N TRP 119.A O no hydrogen 3.212 N/A ILE 124.A N PRO 120.A O no hydrogen 3.172 N/A HIS 125.A N GLN 121.A O no hydrogen 2.852 N/A HIS 125.A ND1 GLN 121.A O no hydrogen 2.838 N/A GLY 126.A N ILE 123.A O no hydrogen 3.293 N/A PHE 127.A N LEU 122.A O no hydrogen 2.685 N/A LYS 129.A N ILE 93.A O no hydrogen 2.810 N/A ARG 130.A N TYR 196.A O no hydrogen 2.605 N/A LEU 131.A N ALA 95.A O no hydrogen 3.022 N/A LEU 132.A N MET 194.A O no hydrogen 2.868 N/A LEU 135.A N PHE 149.A O no hydrogen 2.780 N/A ILE 136.A N PHE 149.A O no hydrogen 3.033 N/A ARG 137.A N LYS 171.A O no hydrogen 3.110 N/A ARG 137.A NH2 HIS 179.A ND1 no hydrogen 2.963 N/A VAL 138.A N VAL 147.A O no hydrogen 2.849 N/A TYR 139.A N THR 169.A O no hydrogen 2.666 N/A TYR 139.A OH GLU 183.A OE2 no hydrogen 2.882 N/A LYS 141.A N ASN 167.A O no hydrogen 3.261 N/A LYS 143.A N GLU 140.A O no hydrogen 3.116 N/A LYS 143.A NZ GLU 140.A OE1 no hydrogen 3.129 N/A VAL 147.A N VAL 138.A O no hydrogen 2.981 N/A PHE 149.A N ILE 136.A O no hydrogen 2.777 N/A TYR 150.A N GLU 154.A OE1 no hydrogen 3.318 N/A PHE 155.A N TYR 151.A O no hydrogen 3.373 N/A ASP 156.A N GLU 152.A O no hydrogen 2.958 N/A ALA 157.A N GLN 153.A O no hydrogen 2.941 N/A TRP 158.A N GLU 154.A O no hydrogen 2.962 N/A ALA 159.A N PHE 155.A O no hydrogen 2.772 N/A LYS 160.A N ASP 156.A O no hydrogen 3.059 N/A GLN 162.A N ALA 159.A O no hydrogen 3.327 N/A HIS 168.A N LEU 165.A O no hydrogen 3.408 N/A THR 169.A N TYR 139.A O no hydrogen 2.547 N/A LYS 171.A N ARG 137.A O no hydrogen 3.032 N/A TYR 173.A N LEU 135.A O no hydrogen 2.738 N/A TYR 173.A OH GLU 183.A OE2 no hydrogen 2.306 N/A LEU 176.A N ASP 98.A OD1 no hydrogen 2.923 N/A ALA 178.A N GLY 175.A O no hydrogen 3.059 N/A HIS 179.A N LEU 176.A O no hydrogen 3.428 N/A ASP 180.A N GLU 183.A OE1 no hydrogen 2.619 N/A THR 181.A N ASP 180.A OD1 no hydrogen 2.343 N/A THR 181.A OG1 ASP 180.A OD1 no hydrogen 3.495 N/A VAL 184.A N ASP 180.A O no hydrogen 2.986 N/A LYS 185.A N THR 181.A O no hydrogen 3.337 N/A SER 186.A N HIS 182.A O no hydrogen 3.279 N/A SER 186.A OG GLU 183.A O no hydrogen 2.564 N/A MET 187.A N GLU 183.A O no hydrogen 3.006 N/A PHE 188.A N VAL 184.A O no hydrogen 3.111 N/A LYS 189.A N LYS 185.A O no hydrogen 2.979 N/A LYS 189.A N SER 186.A O no hydrogen 3.231 N/A HIS 190.A N MET 187.A O no hydrogen 3.272 N/A MET 194.A N PHE 191.A O no hydrogen 3.407 N/A VAL 195.A N ASP 192.A O no hydrogen 3.473 N/A TYR 196.A N ARG 130.A O no hydrogen 2.716 N/A TYR 196.A OH HIS 239.A ND1 no hydrogen 2.786 N/A THR 197.A N ARG 242.A O no hydrogen 2.934 N/A PHE 198.A N VAL 128.A O no hydrogen 3.154 N/A THR 199.A N ILE 244.A O no hydrogen 2.997 N/A ASP 201.A N ASP 201.A OD1 no hydrogen 2.456 N/A SER 203.A OG ASP 202.A OD1 no hydrogen 3.325 N/A ALA 204.A N ASP 201.A O no hydrogen 3.251 N/A LYS 205.A N ASP 202.A O no hydrogen 3.495 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.597 N/A LEU 207.A N SER 203.A O no hydrogen 3.426 N/A PHE 208.A N ALA 204.A O no hydrogen 2.813 N/A HIS 209.A N LYS 205.A O no hydrogen 3.353 N/A ILE 210.A N GLU 206.A O no hydrogen 2.767 N/A TYR 211.A N LEU 207.A O no hydrogen 2.977 N/A PHE 212.A N PHE 208.A O no hydrogen 3.024 N/A ARG 219.A NE ILE 210.A O no hydrogen 3.086 N/A ARG 219.A NH2 GLY 213.A O no hydrogen 3.327 N/A LEU 223.A N ARG 219.A O no hydrogen 3.024 N/A CYS 224.A SG LYS 220.A O no hydrogen 3.136 N/A CYS 224.A SG ILE 581.A O no hydrogen 3.388 N/A THR 231.A N GLN 234.A OE1 no hydrogen 3.162 N/A THR 235.A N THR 231.A O no hydrogen 3.073 N/A THR 235.A OG1 THR 231.A O no hydrogen 3.460 N/A THR 235.A OG1 GLU 232.A O no hydrogen 2.843 N/A GLN 236.A N GLU 232.A O no hydrogen 2.976 N/A SER 237.A N THR 233.A O no hydrogen 3.032 N/A SER 237.A OG THR 233.A O no hydrogen 3.417 N/A SER 237.A OG GLN 234.A O no hydrogen 2.631 N/A ILE 238.A N GLN 234.A O no hydrogen 3.063 N/A HIS 239.A N THR 235.A O no hydrogen 2.882 N/A HIS 239.A ND1 TYR 196.A OH no hydrogen 2.786 N/A HIS 239.A NE2 GLU 154.A OE2 no hydrogen 2.670 N/A SER 240.A N GLN 236.A O no hydrogen 2.742 N/A SER 240.A OG GLN 236.A O no hydrogen 3.408 N/A SER 240.A OG SER 237.A O no hydrogen 2.853 N/A VAL 241.A N SER 237.A O no hydrogen 3.523 N/A ARG 242.A NE VAL 195.A O no hydrogen 3.355 N/A ARG 243.A N VAL 241.A O no hydrogen 2.547 N/A ILE 244.A N THR 197.A O no hydrogen 2.698 N/A CYS 246.A N THR 199.A O no hydrogen 2.830 N/A CYS 246.A SG THR 199.A O no hydrogen 3.328 N/A SER 247.A OG ASP 201.A OD2 no hydrogen 2.481 N/A HIS 249.A N PRO 245.A O no hydrogen 3.324 N/A LEU 250.A N CYS 246.A O no hydrogen 3.095 N/A GLN 251.A N SER 247.A O no hydrogen 2.962 N/A ASP 253.A N HIS 249.A O no hydrogen 2.901 N/A THR 254.A N HIS 249.A O no hydrogen 3.302 N/A THR 254.A OG1 GLY 105.A O no hydrogen 3.070 N/A LYS 255.A N LEU 250.A O no hydrogen 3.054 N/A LYS 255.A NZ GLU 222.A O no hydrogen 3.434 N/A LYS 255.A NZ GLY 226.A O no hydrogen 2.518 N/A ALA 256.A N VAL 252.A O no hydrogen 3.046 N/A TYR 257.A N ASP 253.A O no hydrogen 3.276 N/A LYS 258.A N THR 254.A O no hydrogen 3.063 N/A LEU 259.A N LYS 255.A O no hydrogen 2.867 N/A ASP 260.A N ALA 256.A O no hydrogen 2.911 N/A ALA 261.A N TYR 257.A O no hydrogen 3.136 N/A ILE 262.A N LYS 258.A O no hydrogen 3.202 N/A GLU 263.A N LEU 259.A O no hydrogen 2.822 N/A ARG 264.A N ASP 260.A O no hydrogen 3.135 N/A ARG 264.A N ALA 261.A O no hydrogen 3.358 N/A GLN 265.A N ILE 262.A O no hydrogen 2.929 N/A ILE 266.A N ILE 262.A O no hydrogen 2.833 N/A ASN 268.A N MET 273.A O no hydrogen 3.238 N/A LEU 270.A N ASN 268.A OD1 no hydrogen 2.954 N/A GLY 272.A N ASN 268.A O no hydrogen 2.669 N/A ARG 275.A NE GLU 263.A OE1 no hydrogen 2.977 N/A ARG 275.A NH1 GLU 394.A OE2 no hydrogen 3.400 N/A ARG 275.A NH2 GLU 394.A OE2 no hydrogen 3.218 N/A ARG 277.A NH1 GLY 272.A O no hydrogen 3.306 N/A ARG 277.A NH2 GLY 272.A O no hydrogen 3.016 N/A ARG 278.A N THR 274.A O no hydrogen 2.825 N/A ARG 278.A NE ASP 271.A OD2 no hydrogen 2.561 N/A ARG 278.A NH2 ASP 271.A OD1 no hydrogen 3.086 N/A ARG 278.A NH2 ASP 271.A OD2 no hydrogen 3.140 N/A LYS 279.A N ARG 275.A O no hydrogen 3.040 N/A LYS 279.A NZ MET 308.A O no hydrogen 2.625 N/A LYS 279.A NZ PHE 309.A O no hydrogen 3.486 N/A LYS 279.A NZ GLU 386.A OE1 no hydrogen 2.662 N/A LYS 279.A NZ GLU 392.A OE1 no hydrogen 2.760 N/A ILE 280.A N ALA 276.A O no hydrogen 3.361 N/A LEU 281.A N ARG 277.A O no hydrogen 3.070 N/A ALA 282.A N ARG 278.A O no hydrogen 2.873 N/A GLY 283.A N LYS 279.A O no hydrogen 2.676 N/A GLY 284.A N ILE 280.A O no hydrogen 2.623 N/A VAL 285.A N LEU 281.A O no hydrogen 2.962 N/A LYS 286.A N ALA 282.A O no hydrogen 3.256 N/A LYS 286.A NZ HIS 307.A ND1 no hydrogen 3.205 N/A CYS 287.A N GLY 283.A O no hydrogen 2.849 N/A PHE 288.A N GLY 284.A O no hydrogen 3.172 N/A ALA 289.A N LYS 286.A O no hydrogen 3.506 N/A SER 290.A OG ASN 291.A OD1 no hydrogen 2.892 N/A ASN 292.A ND2 LEU 364.A O no hydrogen 2.753 N/A ARG 295.A N VAL 362.A O no hydrogen 2.967 N/A LYS 296.A N GLN 299.A OE1 no hydrogen 3.437 N/A VAL 297.A N ILE 360.A O no hydrogen 2.781 N/A PHE 300.A N LYS 296.A O no hydrogen 2.810 N/A GLY 301.A N VAL 297.A O no hydrogen 2.670 N/A GLY 302.A N PHE 298.A O no hydrogen 3.035 N/A TYR 303.A N GLN 299.A O no hydrogen 3.263 N/A VAL 304.A N PHE 300.A O no hydrogen 3.084 N/A ALA 305.A N GLY 301.A O no hydrogen 3.129 N/A ASP 306.A N GLY 302.A O no hydrogen 2.982 N/A HIS 307.A N TYR 303.A O no hydrogen 2.903 N/A MET 308.A N VAL 304.A O no hydrogen 2.711 N/A TYR 310.A OH SER 316.A OG no hydrogen 3.037 N/A SER 316.A OG TYR 310.A OH no hydrogen 3.037 N/A SER 316.A OG HIS 312.A O no hydrogen 3.493 N/A SER 316.A OG GLY 313.A O no hydrogen 3.348 N/A LEU 317.A N GLY 313.A O no hydrogen 3.178 N/A ASN 318.A N ASP 314.A O no hydrogen 2.734 N/A THR 319.A N MET 315.A O no hydrogen 3.318 N/A THR 319.A OG1 MET 315.A O no hydrogen 2.684 N/A SER 320.A N SER 316.A O no hydrogen 2.943 N/A SER 320.A OG SER 316.A O no hydrogen 2.872 N/A ILE 321.A N LEU 317.A O no hydrogen 2.900 N/A ILE 322.A N ASN 318.A O no hydrogen 2.955 N/A LYS 323.A N THR 319.A O no hydrogen 2.974 N/A LYS 323.A NZ SER 332.A OG no hydrogen 3.378 N/A ALA 324.A N SER 320.A O no hydrogen 3.022 N/A ALA 325.A N ILE 322.A O no hydrogen 3.066 N/A GLN 326.A NE2 PHE 344.A O no hydrogen 2.837 N/A GLN 326.A NE2 GLY 351.A O no hydrogen 2.803 N/A TYR 328.A N SER 331.A OG no hydrogen 3.277 N/A SER 331.A N TYR 328.A O no hydrogen 2.929 N/A SER 331.A OG TYR 328.A O no hydrogen 2.757 N/A SER 331.A OG HIS 333.A O no hydrogen 3.184 N/A SER 332.A OG HIS 333.A ND1 no hydrogen 3.109 N/A HIS 333.A ND1 SER 332.A OG no hydrogen 3.109 N/A LEU 334.A N GLU 406.A OE1 no hydrogen 2.505 N/A TYR 335.A N GLU 406.A OE1 no hydrogen 3.386 N/A PHE 338.A N ALA 324.A O no hydrogen 3.448 N/A ILE 339.A N GLN 363.A O no hydrogen 2.396 N/A ILE 341.A N SER 361.A O no hydrogen 3.312 N/A SER 346.A N ASP 353.A OD1 no hydrogen 2.983 N/A SER 346.A OG ASP 353.A OD2 no hydrogen 2.418 N/A ARG 347.A NH2 GLU 495.A OE2 no hydrogen 3.434 N/A HIS 348.A ND1 THR 502.A OG1 no hydrogen 2.830 N/A HIS 348.A NE2 SER 527.A O no hydrogen 2.753 N/A GLY 350.A N ARG 347.A O no hydrogen 3.350 N/A GLY 351.A N SER 346.A O no hydrogen 2.957 N/A LYS 352.A N LEU 349.A O no hydrogen 3.353 N/A ASP 353.A N ASP 353.A OD1 no hydrogen 2.419 N/A GLY 355.A N SER 343.A O no hydrogen 2.909 N/A ARG 358.A N SER 356.A OG no hydrogen 3.411 N/A ARG 358.A NH1 ARG 358.A O no hydrogen 2.946 N/A TYR 359.A N SER 356.A O no hydrogen 3.126 N/A SER 361.A N ILE 341.A O no hydrogen 3.398 N/A VAL 362.A N ARG 295.A O no hydrogen 2.583 N/A GLN 363.A N ILE 339.A O no hydrogen 3.165 N/A GLN 363.A NE2 ASN 292.A O no hydrogen 2.277 N/A LEU 364.A N ASN 292.A OD1 no hydrogen 3.187 N/A ALA 365.A N VAL 337.A O no hydrogen 3.088 N/A ILE 369.A N ALA 365.A O no hydrogen 2.887 N/A LYS 370.A N SER 366.A O no hydrogen 2.891 N/A THR 371.A OG1 GLU 367.A O no hydrogen 3.012 N/A THR 371.A OG1 PHE 368.A O no hydrogen 2.906 N/A MET 372.A N PHE 368.A O no hydrogen 2.861 N/A PHE 373.A N ILE 369.A O no hydrogen 2.850 N/A GLU 376.A N GLU 376.A OE2 no hydrogen 2.742 N/A SER 378.A OG ALA 375.A O no hydrogen 2.800 N/A LEU 380.A N ASP 377.A O no hydrogen 3.394 N/A TYR 383.A OH SER 378.A O no hydrogen 2.660 N/A VAL 384.A N GLU 392.A O no hydrogen 3.127 N/A GLU 386.A N GLN 389.A O no hydrogen 2.837 N/A GLN 389.A N GLU 386.A O no hydrogen 3.180 N/A ALA 391.A N VAL 384.A O no hydrogen 2.707 N/A GLU 394.A N PRO 382.A O no hydrogen 2.789 N/A TYR 396.A N ASP 271.A OD2 no hydrogen 3.073 N/A VAL 399.A N MET 372.A O no hydrogen 3.097 N/A ILE 404.A N PRO 401.A O no hydrogen 3.140 N/A TYR 407.A N SER 332.A O no hydrogen 3.070 N/A GLY 408.A N THR 419.A O no hydrogen 3.051 N/A TYR 417.A N GLY 414.A O no hydrogen 3.419 N/A THR 418.A N HIS 571.A O no hydrogen 3.107 N/A THR 418.A OG1 LYS 416.A O no hydrogen 3.324 N/A THR 419.A N GLY 408.A O no hydrogen 3.099 N/A TRP 420.A N TYR 587.A OH no hydrogen 2.713 N/A TRP 420.A NE1 HIS 569.A O no hydrogen 2.728 N/A ARG 422.A N ILE 404.A O no hydrogen 2.923 N/A ARG 422.A NE TRP 420.A O no hydrogen 3.071 N/A ARG 422.A NH2 TRP 420.A O no hydrogen 3.213 N/A GLN 423.A N ARG 459.A O no hydrogen 2.548 N/A GLN 423.A NE2 GLU 425.A OE1 no hydrogen 2.601 N/A GLU 425.A N GLU 425.A OE1 no hydrogen 2.785 N/A ILE 427.A N GLN 423.A O no hydrogen 3.123 N/A LEU 428.A N LEU 424.A O no hydrogen 2.985 N/A ALA 429.A N GLU 425.A O no hydrogen 3.072 N/A LEU 430.A N ASP 426.A O no hydrogen 3.165 N/A VAL 431.A N ILE 427.A O no hydrogen 3.042 N/A ARG 432.A N LEU 428.A O no hydrogen 2.910 N/A ARG 432.A NH2 ASP 734.A OD1 no hydrogen 3.187 N/A ARG 432.A NH2 GLU 737.A OE1 no hydrogen 2.565 N/A ALA 433.A N ALA 429.A O no hydrogen 3.024 N/A TYR 434.A N LEU 430.A O no hydrogen 3.127 N/A VAL 435.A N VAL 431.A O no hydrogen 3.034 N/A ASP 436.A N ARG 432.A O no hydrogen 2.788 N/A ASP 438.A N ASP 436.A OD1 no hydrogen 3.206 N/A ASN 439.A N ASP 436.A O no hydrogen 3.322 N/A LYS 441.A N ASN 439.A OD1 no hydrogen 3.061 N/A HIS 442.A N ASN 439.A O no hydrogen 3.122 N/A GLU 443.A N GLU 443.A OE1 no hydrogen 2.806 N/A LEU 445.A N LYS 441.A O no hydrogen 2.871 N/A HIS 446.A N HIS 442.A O no hydrogen 3.199 N/A HIS 446.A NE2 TYR 434.A O no hydrogen 2.989 N/A TYR 447.A N GLU 443.A O no hydrogen 3.204 N/A ALA 448.A N LEU 444.A O no hydrogen 3.033 N/A ILE 449.A N LEU 445.A O no hydrogen 2.957 N/A HIS 451.A N ALA 448.A O no hydrogen 3.255 N/A HIS 451.A ND1 TYR 447.A O no hydrogen 3.085 N/A ILE 453.A N ALA 448.A O no hydrogen 3.271 N/A THR 454.A OG1 LEU 456.A O no hydrogen 3.446 N/A ARG 459.A N ASP 426.A OD2 no hydrogen 2.972 N/A ARG 459.A NE ASP 426.A OD2 no hydrogen 2.870 N/A ARG 459.A NH2 ASP 426.A OD1 no hydrogen 2.778 N/A ARG 459.A NH2 ASP 426.A OD2 no hydrogen 3.482 N/A SER 461.A N ALA 421.A O no hydrogen 2.679 N/A TYR 463.A N SER 461.A OG no hydrogen 3.423 N/A HIS 468.A N TYR 479.A O no hydrogen 3.229 N/A LYS 470.A N TYR 477.A O no hydrogen 2.931 N/A PHE 472.A N TYR 475.A O no hydrogen 3.033 N/A TYR 475.A N PHE 472.A O no hydrogen 3.358 N/A TYR 477.A N LYS 470.A O no hydrogen 2.713 N/A SER 478.A N ASN 566.A O no hydrogen 3.077 N/A SER 478.A OG ASN 566.A OD1 no hydrogen 2.313 N/A TYR 479.A N HIS 468.A O no hydrogen 2.794 N/A TYR 479.A OH GLU 554.A O no hydrogen 2.646 N/A GLY 480.A N LEU 564.A O no hydrogen 2.804 N/A THR 481.A N GLU 495.A O no hydrogen 3.125 N/A THR 481.A OG1 THR 494.A OG1 no hydrogen 2.283 N/A TYR 482.A OH ASP 556.A OD2 no hydrogen 2.278 N/A ASP 483.A N THR 492.A O no hydrogen 2.645 N/A SER 485.A N ILE 490.A O no hydrogen 2.646 N/A ASN 489.A ND2 LYS 538.A O no hydrogen 2.300 N/A ILE 490.A N SER 485.A O no hydrogen 3.199 N/A ILE 491.A N VAL 535.A O no hydrogen 2.998 N/A THR 492.A N ASP 483.A O no hydrogen 2.627 N/A ILE 493.A N ILE 533.A O no hydrogen 2.968 N/A THR 494.A N THR 481.A O no hydrogen 3.017 N/A THR 494.A OG1 THR 481.A OG1 no hydrogen 2.283 N/A GLU 495.A N THR 481.A O no hydrogen 3.321 N/A LEU 498.A N SER 478.A OG no hydrogen 2.977 N/A LEU 498.A N ASN 566.A OD1 no hydrogen 3.240 N/A ARG 499.A NE GLY 330.A O no hydrogen 2.548 N/A THR 502.A OG1 HIS 348.A ND1 no hydrogen 2.830 N/A VAL 503.A N HIS 348.A O no hydrogen 2.907 N/A TYR 505.A N PRO 501.A O no hydrogen 3.011 N/A ILE 506.A N THR 502.A O no hydrogen 3.004 N/A GLU 507.A N VAL 503.A O no hydrogen 3.230 N/A SER 508.A N ALA 504.A O no hydrogen 3.109 N/A SER 508.A OG ALA 504.A O no hydrogen 3.029 N/A ILE 509.A N TYR 505.A O no hydrogen 3.243 N/A LYS 510.A N ILE 506.A O no hydrogen 2.985 N/A LYS 511.A N GLU 507.A O no hydrogen 2.813 N/A SER 512.A N ILE 509.A O no hydrogen 3.172 N/A SER 512.A OG ASN 514.A OD1 no hydrogen 2.415 N/A ARG 515.A NE PHE 561.A O no hydrogen 2.624 N/A ARG 515.A NH1 SER 512.A OG no hydrogen 3.414 N/A ARG 515.A NH2 ASN 560.A O no hydrogen 2.694 N/A MET 516.A N SER 512.A O no hydrogen 3.010 N/A THR 517.A N ASN 514.A O no hydrogen 3.396 N/A THR 517.A OG1 ASN 514.A O no hydrogen 2.365 N/A PHE 518.A N ARG 515.A O no hydrogen 3.163 N/A GLU 520.A N LYS 536.A O no hydrogen 3.095 N/A ILE 523.A N LEU 534.A O no hydrogen 2.805 N/A SER 526.A N ASP 524.A OD1 no hydrogen 3.361 N/A SER 526.A OG ASP 524.A OD1 no hydrogen 2.397 N/A SER 527.A OG SER 528.A O no hydrogen 3.212 N/A THR 530.A OG1 GLU 529.A O no hydrogen 2.623 N/A ILE 533.A N ILE 493.A O no hydrogen 3.037 N/A LEU 534.A N ILE 523.A O no hydrogen 2.672 N/A VAL 535.A N ILE 491.A O no hydrogen 2.974 N/A LYS 536.A N GLU 521.A O no hydrogen 2.846 N/A LYS 536.A NZ ARG 488.A O no hydrogen 2.967 N/A LEU 537.A N ASN 489.A O no hydrogen 3.209 N/A LYS 538.A N PHE 518.A O no hydrogen 2.791 N/A LYS 538.A NZ THR 517.A O no hydrogen 3.375 N/A SER 541.A N LYS 538.A O no hydrogen 3.402 N/A SER 541.A OG PHE 518.A O no hydrogen 3.025 N/A SER 541.A OG LYS 538.A O no hydrogen 3.047 N/A ILE 545.A N SER 541.A O no hydrogen 3.120 N/A GLU 548.A N ILE 545.A O no hydrogen 3.114 N/A LYS 550.A NZ GLU 547.A O no hydrogen 3.381 N/A ASP 556.A N GLU 559.A OE1 no hydrogen 3.062 N/A SER 557.A N GLU 551.A OE1 no hydrogen 3.266 N/A SER 557.A N ASP 556.A OD1 no hydrogen 2.496 N/A SER 557.A OG GLU 551.A OE1 no hydrogen 2.419 N/A ASN 560.A N SER 557.A O no hydrogen 3.088 N/A ASN 560.A ND2 PHE 549.A O no hydrogen 3.318 N/A PHE 561.A N SER 557.A O no hydrogen 2.610 N/A LEU 562.A N ILE 558.A O no hydrogen 2.673 N/A LEU 564.A N LEU 562.A O no hydrogen 2.530 N/A ARG 565.A NH2 GLN 555.A OE1 no hydrogen 3.290 N/A ASN 566.A N SER 478.A O no hydrogen 3.271 N/A CYS 567.A SG TYR 476.A O no hydrogen 3.906 N/A LEU 568.A N TYR 476.A O no hydrogen 2.884 N/A ASN 573.A N HIS 571.A O no hydrogen 3.059 N/A ASN 573.A ND2 TRP 415.A O no hydrogen 2.810 N/A PHE 574.A N ILE 582.A O no hydrogen 3.027 N/A VAL 575.A N PRO 267.A O no hydrogen 2.999 N/A LYS 576.A N GLY 580.A O no hydrogen 3.030 N/A LYS 576.A NZ CYS 224.A O no hydrogen 2.626 N/A GLY 579.A N LYS 576.A O no hydrogen 3.095 N/A ILE 582.A N PHE 574.A O no hydrogen 3.067 N/A PHE 584.A N LEU 572.A O no hydrogen 2.870 N/A ASN 585.A N GLU 589.A OE1 no hydrogen 3.048 N/A LEU 591.A N TYR 587.A O no hydrogen 3.319 N/A TYR 592.A N TYR 588.A O no hydrogen 2.824 N/A ALA 593.A N GLU 589.A O no hydrogen 3.006 N/A TRP 594.A N ILE 590.A O no hydrogen 3.073 N/A LEU 595.A N LEU 591.A O no hydrogen 3.129 N/A ARG 598.A N TRP 594.A O no hydrogen 3.298 N/A ARG 598.A NE ARG 598.A O no hydrogen 3.143 N/A ARG 598.A NH1 ASP 377.A OD2 no hydrogen 2.825 N/A ARG 598.A NH1 VAL 397.A O no hydrogen 2.709 N/A ARG 598.A NH2 ASP 377.A OD2 no hydrogen 2.457 N/A ARG 599.A N LEU 595.A O no hydrogen 2.934 N/A ARG 599.A NH1 TYR 434.A OH no hydrogen 3.224 N/A GLU 600.A N PRO 596.A O no hydrogen 2.963 N/A LEU 601.A N TYR 597.A O no hydrogen 3.161 N/A TYR 602.A N ARG 598.A O no hydrogen 3.351 N/A TYR 602.A OH GLU 732.A OE1 no hydrogen 2.225 N/A GLN 603.A N ARG 599.A O no hydrogen 3.459 N/A LYS 604.A N GLU 600.A O no hydrogen 3.107 N/A ARG 605.A N LEU 601.A O no hydrogen 2.905 N/A ARG 605.A NH1 ASP 377.A OD2 no hydrogen 3.249 N/A ARG 605.A NH2 GLU 732.A OE2 no hydrogen 2.411 N/A LEU 606.A N TYR 602.A O no hydrogen 3.202 N/A MET 607.A N GLN 603.A O no hydrogen 3.249 N/A ARG 608.A N LYS 604.A O no hydrogen 3.263 N/A ARG 608.A NE ALA 667.A O no hydrogen 3.256 N/A GLU 609.A N ARG 605.A O no hydrogen 3.040 N/A HIS 610.A N LEU 606.A O no hydrogen 2.875 N/A HIS 610.A NE2 GLU 715.A OE2 no hydrogen 3.208 N/A ALA 611.A N MET 607.A O no hydrogen 3.204 N/A VAL 612.A N ARG 608.A O no hydrogen 2.793 N/A LEU 613.A N GLU 609.A O no hydrogen 2.806 N/A LYS 614.A N HIS 610.A O no hydrogen 3.212 N/A LEU 615.A N ALA 611.A O no hydrogen 3.283 N/A ARG 616.A N VAL 612.A O no hydrogen 2.959 N/A ARG 616.A NE ILE 661.A O no hydrogen 3.122 N/A ILE 617.A N LEU 613.A O no hydrogen 3.065 N/A ILE 618.A N LYS 614.A O no hydrogen 3.449 N/A MET 619.A N LEU 615.A O no hydrogen 3.028 N/A GLU 620.A N ARG 616.A O no hydrogen 2.951 N/A THR 621.A N ILE 617.A O no hydrogen 3.002 N/A THR 621.A OG1 ILE 617.A O no hydrogen 2.651 N/A ALA 622.A N ILE 618.A O no hydrogen 3.075 N/A ILE 623.A N MET 619.A O no hydrogen 2.966 N/A VAL 624.A N GLU 620.A O no hydrogen 2.881 N/A ARG 625.A N THR 621.A O no hydrogen 2.921 N/A ARG 625.A NE GLU 629.A OE2 no hydrogen 3.518 N/A ARG 625.A NH1 HIS 651.A O no hydrogen 3.081 N/A ARG 625.A NH2 HIS 651.A O no hydrogen 2.356 N/A TYR 626.A N ALA 622.A O no hydrogen 2.948 N/A ILE 627.A N ILE 623.A O no hydrogen 3.057 N/A ASN 628.A N VAL 624.A O no hydrogen 3.188 N/A GLU 629.A N ARG 625.A O no hydrogen 3.157 N/A SER 630.A N ILE 627.A O no hydrogen 3.454 N/A SER 630.A OG ILE 627.A O no hydrogen 2.930 N/A LEU 633.A N GLU 629.A O no hydrogen 2.658 N/A HIS 637.A N ASN 634.A O no hydrogen 3.366 N/A TYR 638.A N LEU 635.A O no hydrogen 3.206 N/A GLU 639.A N GLU 643.A OE1 no hydrogen 3.290 N/A GLU 643.A N ASP 640.A OD1 no hydrogen 3.412 N/A ALA 644.A N ASP 640.A O no hydrogen 2.975 N/A SER 645.A N GLU 641.A O no hydrogen 2.674 N/A SER 645.A OG GLU 641.A O no hydrogen 2.733 N/A ARG 646.A N LYS 642.A O no hydrogen 3.164 N/A ARG 646.A NH1 GLU 650.A OE2 no hydrogen 2.866 N/A ILE 647.A N GLU 643.A O no hydrogen 3.071 N/A LEU 648.A N ALA 644.A O no hydrogen 2.969 N/A SER 649.A N SER 645.A O no hydrogen 2.933 N/A SER 649.A OG SER 645.A O no hydrogen 3.042 N/A SER 649.A OG TYR 681.A OH no hydrogen 2.703 N/A GLU 650.A N ARG 646.A O no hydrogen 3.069 N/A HIS 651.A N ILE 647.A O no hydrogen 3.274 N/A HIS 651.A N LEU 648.A O no hydrogen 3.182 N/A HIS 651.A ND1 ILE 647.A O no hydrogen 3.013 N/A GLY 652.A N SER 649.A O no hydrogen 3.070 N/A PHE 653.A N LEU 648.A O no hydrogen 3.154 N/A LEU 656.A N CYS 680.A O no hydrogen 3.270 N/A ASN 657.A N ALA 676.A O no hydrogen 2.704 N/A ASN 657.A ND2 LYS 675.A O no hydrogen 3.151 N/A THR 659.A OG1 ASN 657.A OD1 no hydrogen 3.239 N/A LEU 660.A N ASN 657.A OD1 no hydrogen 3.481 N/A ILE 661.A N ASN 657.A O no hydrogen 3.135 N/A ILE 662.A N HIS 658.A O no hydrogen 3.136 N/A SER 663.A N THR 659.A O no hydrogen 2.877 N/A SER 663.A OG THR 659.A O no hydrogen 3.049 N/A GLU 670.A N GLU 670.A OE1 no hydrogen 2.708 N/A GLU 671.A N SER 668.A OG no hydrogen 3.281 N/A LEU 672.A N SER 668.A O no hydrogen 2.663 N/A ASN 673.A N ILE 669.A O no hydrogen 2.865 N/A GLN 674.A N GLU 670.A O no hydrogen 3.296 N/A LYS 675.A N LEU 672.A O no hydrogen 3.422 N/A LYS 675.A NZ GLU 671.A OE2 no hydrogen 3.081 N/A ALA 676.A N LEU 672.A O no hydrogen 3.007 N/A CYS 680.A SG THR 682.A OG1 no hydrogen 2.529 N/A TYR 681.A OH SER 649.A OG no hydrogen 2.703 N/A TYR 681.A OH PHE 653.A O no hydrogen 2.704 N/A TYR 683.A OH PRO 654.A O no hydrogen 2.274 N/A ILE 684.A N TYR 681.A O no hydrogen 3.135 N/A LEU 685.A N TYR 681.A O no hydrogen 3.169 N/A SER 686.A N THR 682.A O no hydrogen 2.866 N/A SER 686.A OG THR 682.A O no hydrogen 2.514 N/A LEU 687.A N ILE 684.A O no hydrogen 3.179 N/A ARG 690.A NH1 GLN 688.A OE1 no hydrogen 2.967 N/A GLU 691.A N GLN 688.A O no hydrogen 3.129 N/A LEU 692.A N ALA 689.A O no hydrogen 3.341 N/A LYS 697.A N LEU 693.A O no hydrogen 2.909 N/A LYS 697.A NZ ASN 628.A OD1 no hydrogen 2.680 N/A THR 698.A N ILE 694.A O no hydrogen 2.914 N/A THR 698.A OG1 ILE 694.A O no hydrogen 2.877 N/A ARG 699.A N ALA 695.A O no hydrogen 3.035 N/A ARG 700.A N ALA 696.A O no hydrogen 3.135 N/A ARG 700.A NH1 GLU 620.A OE1 no hydrogen 2.723 N/A ARG 700.A NH2 GLU 691.A OE1 no hydrogen 3.065 N/A VAL 701.A N LYS 697.A O no hydrogen 2.810 N/A GLU 702.A N THR 698.A O no hydrogen 2.941 N/A LYS 703.A N ARG 699.A O no hydrogen 2.963 N/A ILE 704.A N ARG 700.A O no hydrogen 3.153 N/A LYS 705.A N VAL 701.A O no hydrogen 3.284 N/A LYS 705.A NZ GLU 702.A OE2 no hydrogen 3.262 N/A LYS 706.A N GLU 702.A O no hydrogen 3.123 N/A MET 707.A N LYS 703.A O no hydrogen 3.064 N/A GLN 708.A N ILE 704.A O no hydrogen 2.952 N/A ALA 709.A N LYS 705.A O no hydrogen 2.908 N/A ARG 710.A N LYS 706.A O no hydrogen 2.695 N/A ARG 710.A NE GLU 609.A OE1 no hydrogen 2.840 N/A ARG 710.A NH2 GLU 609.A OE1 no hydrogen 3.188 N/A ARG 710.A NH2 GLU 609.A OE2 no hydrogen 3.527 N/A LEU 711.A N MET 707.A O no hydrogen 2.637 N/A ASP 712.A N GLN 708.A O no hydrogen 3.331 N/A LYS 713.A N ALA 709.A O no hydrogen 3.131 N/A VAL 714.A N ARG 710.A O no hydrogen 2.898 N/A GLU 715.A N LEU 711.A O no hydrogen 3.236 N/A GLN 716.A N ASP 712.A O no hydrogen 3.181 N/A LEU 717.A N LYS 713.A O no hydrogen 2.895 N/A LEU 718.A N VAL 714.A O no hydrogen 2.989 N/A GLN 719.A N GLU 715.A O no hydrogen 3.442 N/A GLY 725.A N LEU 717.A O no hydrogen 3.143 N/A ALA 726.A N PHE 723.A O no hydrogen 3.210 N/A SER 727.A N GLU 720.A OE1 no hydrogen 2.992 N/A SER 727.A OG GLU 720.A OE2 no hydrogen 2.284 N/A TRP 729.A N GLY 725.A O no hydrogen 2.875 N/A LEU 730.A N ALA 726.A O no hydrogen 2.838 N/A GLU 731.A N SER 727.A O no hydrogen 3.015 N/A GLU 732.A N VAL 728.A O no hydrogen 3.064 N/A ILE 733.A N TRP 729.A O no hydrogen 3.075 N/A ASP 734.A N LEU 730.A O no hydrogen 3.474 N/A ALA 735.A N GLU 731.A O no hydrogen 3.274 N/A VAL 736.A N GLU 732.A O no hydrogen 3.038 N/A GLU 737.A N ILE 733.A O no hydrogen 2.917 N/A LYS 738.A N ASP 734.A O no hydrogen 2.973 N/A ALA 739.A N ALA 735.A O no hydrogen 3.050 N/A ILE 740.A N VAL 736.A O no hydrogen 2.825 N/A ILE 741.A N GLU 737.A O no hydrogen 2.801 N/A LYS 742.A N LYS 738.A O no hydrogen 2.802 N/A LYS 742.A NZ GLU 367.A OE1 no hydrogen 2.918 N/A LYS 742.A NZ GLU 367.A OE2 no hydrogen 2.731 N/A GLY 743.A N ALA 739.A O no hydrogen 2.857 N/A ARG 744.A N ILE 740.A O no hydrogen 2.884 N/A ARG 744.A N ILE 741.A O no hydrogen 3.162 N/A ASN 745.A N ILE 741.A O no hydrogen 2.894 N/A THR 746.A N LYS 742.A O no hydrogen 3.337 N/A THR 746.A OG1 GLY 743.A O no hydrogen 3.387 N/A TRP 748.A N GLY 743.A O no hydrogen 2.848 N/A TRP 748.A NE1 PRO 336.A O no hydrogen 2.826 N/A LYS 749.A N THR 746.A OG1 no hydrogen 3.052 N/A LYS 749.A NZ GLY 340.A O no hydrogen 2.977 N/A PHE 750.A N THR 746.A OG1 no hydrogen 2.907 N/A