Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xwj_I.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG ARG 43.A O no hydrogen 3.292 N/A VAL 8.A N GLU 9.A OE1 no hydrogen 3.034 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 2.599 N/A LYS 11.A N ALA 62.A O no hydrogen 2.904 N/A SER 14.A N VAL 27.A O no hydrogen 3.205 N/A SER 14.A OG VAL 27.A O no hydrogen 2.934 N/A ARG 16.A N GLU 25.A O no hydrogen 2.923 N/A ARG 16.A NH1 GLU 25.A OE1 no hydrogen 3.179 N/A LEU 18.A N ALA 23.A O no hydrogen 2.736 N/A GLY 21.A N LEU 18.A O no hydrogen 3.061 N/A GLN 22.A N LEU 18.A O no hydrogen 3.258 N/A GLN 22.A N GLN 19.A O no hydrogen 3.343 N/A LEU 24.A N ARG 40.A O no hydrogen 3.071 N/A GLU 25.A N ARG 16.A O no hydrogen 2.835 N/A TYR 26.A N GLN 38.A O no hydrogen 3.201 N/A TYR 26.A OH VAL 8.A O no hydrogen 2.730 N/A VAL 27.A N SER 14.A O no hydrogen 2.777 N/A PHE 32.A N PRO 29.A O no hydrogen 3.041 N/A TYR 33.A N ARG 65.A O no hydrogen 3.000 N/A GLN 38.A NE2 GLU 25.A OE2 no hydrogen 3.376 N/A ARG 40.A N LEU 24.A O no hydrogen 2.970 N/A ARG 40.A NE SER 49.A O no hydrogen 3.062 N/A ARG 40.A NH1 TYR 26.A OH no hydrogen 3.050 N/A ARG 40.A NH2 SER 49.A O no hydrogen 2.900 N/A THR 41.A N SER 49.A OG no hydrogen 3.185 N/A CYS 42.A N GLN 22.A O no hydrogen 2.995 N/A CYS 42.A SG ARG 43.A O no hydrogen 3.776 N/A TRP 48.A NE1 SER 4.A O no hydrogen 3.121 N/A SER 49.A N THR 41.A O no hydrogen 2.930 N/A LYS 52.A NZ THR 58.A OG1 no hydrogen 2.911 N/A THR 53.A N LYS 57.A O no hydrogen 3.068 N/A LYS 57.A N THR 53.A OG1 no hydrogen 3.145 N/A VAL 59.A N LEU 51.A O no hydrogen 2.965 N/A GLU 63.A N TYR 35.A O no hydrogen 3.298 N/A CYS 64.A N LYS 11.A O no hydrogen 3.243 N/A CYS 64.A SG LYS 11.A O no hydrogen 3.583 N/A CYS 64.A SG GLY 12.A O no hydrogen 3.433 N/A ILE 67.A N GLY 31.A O no hydrogen 3.281 N/A CYS 69.A N TYR 87.A O no hydrogen 3.147 N/A CYS 69.A SG ARG 116.A O no hydrogen 3.769 N/A HIS 73.A NE2 GLY 139.A O no hydrogen 2.935 N/A ASN 77.A ND2 CYS 124.A O no hydrogen 3.219 N/A GLU 79.A N HIS 96.A O no hydrogen 2.868 N/A TRP 81.A N SER 94.A O no hydrogen 3.111 N/A ARG 83.A NH1 GLU 79.A OE2 no hydrogen 2.762 N/A SER 84.A N TYR 87.A OH no hydrogen 3.284 N/A TYR 87.A OH PRO 82.A O no hydrogen 2.910 N/A SER 90.A N CYS 111.A O no hydrogen 2.756 N/A SER 90.A OG VAL 89.A O no hydrogen 2.509 N/A ILE 93.A N ARG 109.A O no hydrogen 2.946 N/A SER 94.A N TRP 81.A O no hydrogen 2.901 N/A SER 94.A OG TRP 81.A O no hydrogen 3.464 N/A PHE 95.A N ALA 107.A O no hydrogen 2.885 N/A HIS 96.A N GLU 79.A O no hydrogen 3.052 N/A CYS 97.A SG THR 102.A O no hydrogen 3.827 N/A TYR 98.A N ASN 77.A O no hydrogen 3.243 N/A TYR 101.A N TYR 98.A O no hydrogen 3.342 N/A THR 102.A N ASP 125.A O no hydrogen 2.837 N/A ARG 104.A N ILE 123.A O no hydrogen 3.158 N/A ARG 104.A NH2 ASP 125.A OD2 no hydrogen 3.064 N/A ARG 109.A N ILE 93.A O no hydrogen 2.994 N/A ARG 109.A NE SER 118.A O no hydrogen 2.807 N/A ARG 109.A NH2 TRP 117.A O no hydrogen 3.445 N/A THR 110.A N SER 118.A OG no hydrogen 2.833 N/A CYS 111.A N ASP 91.A O no hydrogen 2.870 N/A CYS 111.A SG ASN 88.A O no hydrogen 3.128 N/A CYS 111.A SG GLN 112.A O no hydrogen 3.534 N/A GLN 112.A N ARG 116.A O no hydrogen 2.767 N/A ASN 114.A ND2 GLN 112.A OE1 no hydrogen 3.327 N/A ARG 116.A N ASN 114.A OD1 no hydrogen 3.146 N/A TRP 117.A NE1 PRO 70.A O no hydrogen 2.999 N/A SER 118.A N THR 110.A O no hydrogen 2.931 N/A SER 118.A OG THR 110.A O no hydrogen 3.305 N/A GLN 120.A N SER 106.A OG no hydrogen 3.060 N/A THR 121.A OG1 GLU 181.A OE2 no hydrogen 2.802 N/A ILE 123.A N ARG 104.A O no hydrogen 3.303 N/A ASP 125.A N THR 102.A O no hydrogen 3.108 N/A GLY 127.A N ASP 125.A OD1 no hydrogen 3.022 N/A CYS 131.A N TYR 147.A O no hydrogen 3.306 N/A CYS 131.A SG GLN 172.A O no hydrogen 3.932 N/A ASN 133.A ND2 CYS 124.A O no hydrogen 3.483 N/A GLY 135.A N ASN 133.A OD1 no hydrogen 2.980 N/A THR 140.A N PRO 137.A O no hydrogen 2.920 N/A THR 140.A OG1 PRO 137.A O no hydrogen 2.661 N/A LYS 142.A NZ GLU 76.A OE2 no hydrogen 3.070 N/A LYS 142.A NZ GLY 144.A O no hydrogen 2.948 N/A VAL 143.A N THR 154.A O no hydrogen 2.798 N/A ARG 148.A N ASP 151.A OD2 no hydrogen 3.264 N/A GLU 150.A N CYS 171.A O no hydrogen 2.903 N/A SER 152.A OG THR 170.A OG1 no hydrogen 2.740 N/A VAL 153.A N ARG 169.A O no hydrogen 2.996 N/A THR 154.A N VAL 143.A O no hydrogen 3.384 N/A TYR 155.A N GLN 167.A O no hydrogen 2.842 N/A TYR 155.A OH GLY 135.A O no hydrogen 3.004 N/A HIS 156.A N ARG 141.A O no hydrogen 3.232 N/A GLY 160.A N ASP 55.A OD1 no hydrogen 2.852 N/A LEU 161.A N SER 158.A O no hydrogen 3.296 N/A THR 162.A N GLN 185.A O no hydrogen 2.775 N/A ARG 164.A N SER 183.A O no hydrogen 3.212 N/A ARG 164.A NH1 ASP 191.A OD2 no hydrogen 3.306 N/A ARG 164.A NH2 GLN 386.A OE1 no hydrogen 3.530 N/A ARG 169.A N VAL 153.A O no hydrogen 3.038 N/A ARG 169.A NE SER 178.A O no hydrogen 2.808 N/A ARG 169.A NH2 TRP 177.A O no hydrogen 3.406 N/A THR 170.A N SER 178.A OG no hydrogen 2.792 N/A THR 170.A OG1 SER 152.A OG no hydrogen 2.740 N/A CYS 171.A N ASP 151.A O no hydrogen 2.787 N/A CYS 171.A SG ARG 148.A O no hydrogen 3.075 N/A GLN 172.A N SER 176.A O no hydrogen 2.868 N/A GLY 174.A N TYR 130.A OH no hydrogen 3.173 N/A TRP 177.A NE1 SER 132.A O no hydrogen 2.789 N/A SER 178.A N THR 170.A O no hydrogen 2.923 N/A SER 178.A OG THR 170.A O no hydrogen 3.407 N/A THR 180.A N SER 166.A OG no hydrogen 3.100 N/A THR 180.A OG1 LYS 396.A O no hydrogen 3.153 N/A SER 183.A OG ARG 164.A O no hydrogen 3.501 N/A SER 183.A OG GLN 185.A OE1 no hydrogen 3.490 N/A CYS 184.A SG GLY 139.A O no hydrogen 3.099 N/A GLN 185.A N THR 162.A O no hydrogen 2.950 N/A SER 187.A OG ASP 186.A OD1 no hydrogen 3.486 N/A THR 192.A N GLU 195.A OE1 no hydrogen 3.412 N/A GLU 195.A N THR 192.A OG1 no hydrogen 3.073 N/A VAL 196.A N THR 192.A O no hydrogen 3.057 N/A ALA 197.A N PRO 193.A O no hydrogen 3.188 N/A GLU 198.A N GLN 194.A O no hydrogen 2.774 N/A ALA 199.A N GLU 195.A O no hydrogen 3.169 N/A PHE 200.A N VAL 196.A O no hydrogen 2.800 N/A LEU 201.A N ALA 197.A O no hydrogen 3.212 N/A SER 202.A N GLU 198.A O no hydrogen 3.323 N/A SER 202.A OG GLU 198.A O no hydrogen 2.823 N/A SER 203.A N PHE 200.A O no hydrogen 3.293 N/A SER 203.A OG TYR 376.A OH no hydrogen 3.429 N/A SER 203.A OG GLU 399.A OE1 no hydrogen 2.916 N/A LEU 204.A N PHE 200.A O no hydrogen 2.848 N/A LEU 204.A N LEU 201.A O no hydrogen 2.993 N/A THR 205.A N LEU 201.A O no hydrogen 2.729 N/A THR 205.A OG1 LEU 201.A O no hydrogen 2.693 N/A THR 207.A OG1 SER 203.A O no hydrogen 2.794 N/A THR 207.A OG1 ASP 374.A OD2 no hydrogen 2.764 N/A ILE 208.A N THR 205.A O no hydrogen 2.883 N/A GLU 209.A N THR 205.A O no hydrogen 2.792 N/A VAL 211.A N ILE 208.A O no hydrogen 3.000 N/A ASP 212.A N GLU 209.A O no hydrogen 3.360 N/A ALA 213.A N VAL 211.A O no hydrogen 2.718 N/A GLY 217.A N LYS 256.A O no hydrogen 3.443 N/A MET 219.A N GLY 217.A O no hydrogen 2.735 N/A ASN 220.A N ARG 331.A O no hydrogen 2.857 N/A ASN 220.A ND2 TYR 222.A OH no hydrogen 3.064 N/A ILE 221.A N ARG 258.A O no hydrogen 2.841 N/A TYR 222.A N VAL 333.A O no hydrogen 2.894 N/A LEU 223.A N GLY 260.A O no hydrogen 2.875 N/A VAL 224.A N ILE 335.A O no hydrogen 2.840 N/A LEU 225.A N VAL 262.A O no hydrogen 2.858 N/A ASP 226.A N MET 337.A O no hydrogen 3.232 N/A GLY 227.A N TYR 264.A O no hydrogen 3.044 N/A SER 228.A N ASP 226.A OD1 no hydrogen 2.955 N/A SER 228.A OG ASP 226.A OD1 no hydrogen 3.188 N/A SER 228.A OG ASP 226.A OD2 no hydrogen 3.185 N/A SER 228.A OG SER 230.A OG no hydrogen 2.958 N/A SER 230.A OG SER 228.A OG no hydrogen 2.958 N/A SER 230.A OG ASP 339.A OD2 no hydrogen 2.827 N/A GLY 232.A N TYR 294.A OH no hydrogen 3.255 N/A THR 237.A N ALA 233.A O no hydrogen 3.051 N/A THR 237.A OG1 ALA 233.A O no hydrogen 2.806 N/A THR 237.A OG1 SER 234.A O no hydrogen 3.475 N/A ALA 239.A N PHE 236.A O no hydrogen 2.821 N/A LYS 240.A N PHE 236.A O no hydrogen 3.154 N/A LYS 240.A NZ ILE 292.A O no hydrogen 3.180 N/A LYS 241.A N THR 237.A O no hydrogen 3.407 N/A CYS 242.A N GLY 238.A O no hydrogen 3.062 N/A CYS 242.A SG LEU 411.A O no hydrogen 3.652 N/A LEU 243.A N ALA 239.A O no hydrogen 3.120 N/A LEU 243.A N LYS 240.A O no hydrogen 2.887 N/A VAL 244.A N LYS 240.A O no hydrogen 2.930 N/A ASN 245.A N LYS 241.A O no hydrogen 3.284 N/A ILE 247.A N LEU 243.A O no hydrogen 3.081 N/A GLU 248.A N VAL 244.A O no hydrogen 3.385 N/A LYS 249.A N ASN 245.A O no hydrogen 2.857 N/A LYS 249.A NZ TYR 253.A OH no hydrogen 3.018 N/A LYS 249.A NZ MET 418.A O no hydrogen 2.808 N/A LYS 249.A NZ GLU 421.A O no hydrogen 2.873 N/A VAL 250.A N LEU 246.A O no hydrogen 2.968 N/A ALA 251.A N ILE 247.A O no hydrogen 2.972 N/A SER 252.A N GLU 248.A O no hydrogen 3.120 N/A SER 252.A N LYS 249.A O no hydrogen 3.255 N/A SER 252.A OG LYS 249.A O no hydrogen 2.579 N/A TYR 253.A N VAL 250.A O no hydrogen 3.176 N/A GLY 254.A N ALA 251.A O no hydrogen 2.954 N/A LYS 256.A NZ SER 280.A O no hydrogen 3.358 N/A ARG 258.A N MET 219.A O no hydrogen 2.991 N/A ARG 258.A NH1 VAL 274.A O no hydrogen 3.518 N/A TYR 259.A N SER 279.A O no hydrogen 2.969 N/A GLY 260.A N ILE 221.A O no hydrogen 2.928 N/A VAL 262.A N LEU 223.A O no hydrogen 2.850 N/A THR 263.A N LYS 269.A O no hydrogen 3.197 N/A THR 263.A OG1 HIS 297.A NE2 no hydrogen 3.318 N/A TYR 264.A N LEU 225.A O no hydrogen 3.082 N/A TYR 264.A OH THR 305.A OG1 no hydrogen 2.960 N/A ALA 265.A N TYR 267.A O no hydrogen 3.472 N/A THR 266.A OG1 LYS 300.A O no hydrogen 2.689 N/A TRP 271.A N LEU 261.A O no hydrogen 2.955 N/A TRP 271.A NE1 THR 263.A OG1 no hydrogen 2.910 N/A VAL 272.A N LEU 261.A O no hydrogen 3.192 N/A LYS 273.A NZ SER 314.A O no hydrogen 3.508 N/A GLU 276.A N LYS 273.A O no hydrogen 3.012 N/A SER 279.A OG VAL 274.A O no hydrogen 3.273 N/A SER 279.A OG GLU 276.A O no hydrogen 2.933 N/A ASN 281.A N ASP 278.A O no hydrogen 3.257 N/A ASP 283.A N ASN 281.A OD1 no hydrogen 3.130 N/A VAL 285.A N ASN 281.A O no hydrogen 3.268 N/A THR 286.A N ALA 282.A O no hydrogen 3.109 N/A THR 286.A OG1 ALA 282.A O no hydrogen 2.909 N/A LYS 287.A N ASP 283.A O no hydrogen 3.074 N/A GLN 288.A N TRP 284.A O no hydrogen 2.966 N/A LEU 289.A N VAL 285.A O no hydrogen 3.125 N/A ASN 290.A N LYS 287.A O no hydrogen 3.025 N/A GLU 291.A N LYS 287.A O no hydrogen 3.032 N/A ASN 293.A N ASP 296.A OD2 no hydrogen 2.990 N/A TYR 294.A N ASN 293.A OD1 no hydrogen 2.740 N/A TYR 294.A OH SER 228.A O no hydrogen 2.895 N/A ASP 296.A N ASN 293.A O no hydrogen 3.024 N/A HIS 297.A NE2 THR 263.A OG1 no hydrogen 3.318 N/A LYS 298.A NZ GLU 295.A OE1 no hydrogen 3.502 N/A GLY 302.A N LYS 300.A O no hydrogen 2.906 N/A ASN 304.A N ALA 265.A O no hydrogen 2.839 N/A THR 305.A OG1 TYR 264.A OH no hydrogen 2.960 N/A LYS 307.A N ASN 304.A OD1 no hydrogen 3.245 N/A ALA 308.A N ASN 304.A O no hydrogen 3.472 N/A LEU 309.A N THR 305.A O no hydrogen 3.133 N/A GLN 310.A N LYS 306.A O no hydrogen 3.037 N/A ALA 311.A N LYS 307.A O no hydrogen 2.903 N/A VAL 312.A N ALA 308.A O no hydrogen 3.342 N/A TYR 313.A N LEU 309.A O no hydrogen 2.894 N/A SER 314.A N GLN 310.A O no hydrogen 3.082 N/A SER 314.A OG ALA 311.A O no hydrogen 2.742 N/A MET 315.A N VAL 312.A O no hydrogen 3.145 N/A MET 316.A N VAL 312.A O no hydrogen 3.292 N/A MET 316.A N TYR 313.A O no hydrogen 3.217 N/A SER 317.A OG SER 314.A O no hydrogen 2.930 N/A THR 330.A OG1 GLY 326.A O no hydrogen 3.056 N/A ARG 331.A N SER 218.A O no hydrogen 3.204 N/A HIS 332.A N TYR 372.A O no hydrogen 3.400 N/A VAL 333.A N ASN 220.A O no hydrogen 2.753 N/A ILE 334.A N ASP 374.A O no hydrogen 2.849 N/A ILE 335.A N TYR 222.A O no hydrogen 2.806 N/A LEU 336.A N TYR 376.A O no hydrogen 3.159 N/A MET 337.A N VAL 224.A O no hydrogen 3.187 N/A THR 338.A N PHE 378.A O no hydrogen 3.000 N/A THR 338.A OG1 ASP 226.A OD2 no hydrogen 3.427 N/A THR 338.A OG1 TYR 264.A OH no hydrogen 3.395 N/A GLY 340.A N THR 338.A OG1 no hydrogen 3.074 N/A LEU 341.A N ASP 339.A OD1 no hydrogen 2.916 N/A ASN 343.A N THR 303.A O no hydrogen 3.299 N/A MET 344.A N THR 303.A O no hydrogen 3.216 N/A ILE 349.A N ASP 347.A OD1 no hydrogen 3.455 N/A THR 350.A N ASP 347.A O no hydrogen 3.276 N/A THR 350.A OG1 ASP 347.A O no hydrogen 2.980 N/A VAL 351.A N PRO 348.A O no hydrogen 3.076 N/A ASP 353.A N ILE 349.A O no hydrogen 3.183 N/A GLU 354.A N THR 350.A O no hydrogen 3.301 N/A ILE 355.A N VAL 351.A O no hydrogen 2.994 N/A ARG 356.A N ILE 352.A O no hydrogen 3.023 N/A ARG 356.A NH1 GLU 370.A OE1 no hydrogen 3.444 N/A ARG 356.A NH2 GLU 370.A OE2 no hydrogen 3.043 N/A ASP 357.A N ASP 353.A O no hydrogen 3.052 N/A LEU 358.A N GLU 354.A O no hydrogen 3.043 N/A LEU 359.A N ILE 355.A O no hydrogen 3.002 N/A TYR 360.A N ASP 357.A O no hydrogen 3.399 N/A ILE 361.A N ARG 356.A O no hydrogen 2.825 N/A GLY 362.A N PRO 368.A O no hydrogen 2.830 N/A LYS 366.A N ASP 364.A OD1 no hydrogen 3.187 N/A ARG 369.A NE LEU 359.A O no hydrogen 3.267 N/A ARG 369.A NE TYR 360.A O no hydrogen 3.212 N/A ARG 369.A NH1 ASN 328.A O no hydrogen 3.340 N/A ARG 369.A NH2 LEU 359.A O no hydrogen 3.228 N/A TYR 372.A N ARG 369.A O no hydrogen 3.289 N/A ASP 374.A N HIS 332.A O no hydrogen 2.863 N/A VAL 375.A N SER 394.A OG no hydrogen 2.967 N/A TYR 376.A N ILE 334.A O no hydrogen 2.913 N/A TYR 376.A OH SER 203.A OG no hydrogen 3.429 N/A TYR 376.A OH ASP 374.A OD2 no hydrogen 3.228 N/A VAL 377.A N HIS 401.A O no hydrogen 3.072 N/A PHE 378.A N LEU 336.A O no hydrogen 3.185 N/A GLY 379.A N PHE 403.A O no hydrogen 3.138 N/A ASN 385.A N ASP 339.A O no hydrogen 2.898 N/A VAL 387.A N ASN 385.A OD1 no hydrogen 3.142 N/A ASN 388.A N ASN 385.A O no hydrogen 3.148 N/A ASN 388.A ND2 GLY 340.A O no hydrogen 2.859 N/A ILE 389.A N ASN 385.A O no hydrogen 3.238 N/A ASN 390.A N GLN 386.A O no hydrogen 3.246 N/A ASN 390.A ND2 LEU 163.A O no hydrogen 2.957 N/A ASN 390.A ND2 GLY 165.A O no hydrogen 3.497 N/A ALA 391.A N VAL 387.A O no hydrogen 3.387 N/A LEU 392.A N ASN 388.A O no hydrogen 3.358 N/A SER 394.A N VAL 375.A O no hydrogen 3.125 N/A LYS 395.A NZ ASN 390.A O no hydrogen 3.084 N/A LYS 395.A NZ ALA 393.A O no hydrogen 2.943 N/A LYS 396.A NZ GLU 370.A O no hydrogen 2.973 N/A LYS 396.A NZ ASP 374.A OD1 no hydrogen 2.731 N/A GLU 399.A N LYS 396.A O no hydrogen 3.122 N/A GLN 400.A NE2 VAL 402.A O no hydrogen 2.827 N/A PHE 403.A N VAL 377.A O no hydrogen 3.198 N/A ASN 410.A N ASP 407.A OD1 no hydrogen 2.950 N/A LEU 411.A N ASP 407.A O no hydrogen 3.219 N/A GLU 412.A N MET 408.A O no hydrogen 3.120 N/A ASP 413.A N GLU 409.A O no hydrogen 3.271 N/A VAL 414.A N ASN 410.A O no hydrogen 3.112 N/A PHE 415.A N GLU 412.A O no hydrogen 2.841 N/A TYR 416.A N GLU 412.A O no hydrogen 3.023 N/A TYR 416.A N ASP 413.A O no hydrogen 3.262 N/A GLN 417.A N ASP 413.A O no hydrogen 3.130 N/A GLU 421.A N GLN 417.A O no hydrogen 3.108 N/A GLY 429.A N PRO 540.A O no hydrogen 3.000 N/A GLN 442.A N GLN 439.A O no hydrogen 3.174 N/A ALA 443.A N GLY 459.A O no hydrogen 3.227 N/A LYS 444.A N SER 486.A O no hydrogen 2.976 N/A ILE 445.A N CYS 457.A O no hydrogen 2.780 N/A SER 446.A N LYS 484.A O no hydrogen 3.021 N/A VAL 447.A N GLU 455.A O no hydrogen 2.970 N/A ILE 448.A N SER 482.A O no hydrogen 2.972 N/A ARG 449.A N LYS 452.A O no hydrogen 3.467 N/A ARG 449.A NE ASP 478.A OD2 no hydrogen 3.313 N/A ARG 449.A NH2 ASP 478.A OD2 no hydrogen 3.183 N/A SER 451.A OG PRO 450.A O no hydrogen 2.422 N/A LYS 452.A N PRO 450.A O no hydrogen 2.613 N/A GLU 455.A N VAL 447.A O no hydrogen 2.838 N/A CYS 457.A N ILE 445.A O no hydrogen 2.995 N/A CYS 457.A SG GLU 455.A OE2 no hydrogen 3.514 N/A MET 458.A N SER 645.A O no hydrogen 2.899 N/A GLY 459.A N ALA 443.A O no hydrogen 2.945 N/A ALA 460.A N LEU 468.A O no hydrogen 2.775 N/A VAL 461.A N TRP 441.A O no hydrogen 2.927 N/A VAL 462.A N PHE 466.A O no hydrogen 3.357 N/A SER 463.A OG PHE 466.A O no hydrogen 3.481 N/A PHE 466.A N SER 463.A OG no hydrogen 2.858 N/A THR 469.A N ALA 524.A O no hydrogen 2.953 N/A THR 469.A OG1 MET 458.A O no hydrogen 2.726 N/A ALA 471.A N ASP 522.A OD1 no hydrogen 2.782 N/A HIS 472.A N ASP 522.A OD1 no hydrogen 3.058 N/A HIS 472.A ND1 ASP 522.A OD2 no hydrogen 2.682 N/A CYS 473.A SG HIS 472.A NE2 no hydrogen 4.044 N/A PHE 474.A N ALA 471.A O no hydrogen 3.301 N/A SER 482.A OG LYS 479.A O no hydrogen 3.207 N/A ILE 483.A N GLU 480.A O no hydrogen 3.477 N/A LYS 484.A N SER 446.A O no hydrogen 3.005 N/A SER 486.A N LYS 444.A O no hydrogen 2.995 N/A SER 486.A OG GLU 490.A O no hydrogen 2.808 N/A GLU 490.A N VAL 487.A O no hydrogen 3.247 N/A ARG 492.A NE GLU 490.A OE1 no hydrogen 3.299 N/A LEU 494.A N VAL 485.A O no hydrogen 2.977 N/A GLU 497.A N LYS 527.A O no hydrogen 2.908 N/A LEU 500.A N LEU 525.A O no hydrogen 2.970 N/A ASN 504.A N HIS 502.A ND1 no hydrogen 2.937 N/A TYR 505.A N HIS 502.A O no hydrogen 2.900 N/A ASN 508.A N ASN 506.A OD1 no hydrogen 3.255 N/A GLY 509.A N ASN 506.A O no hydrogen 3.309 N/A LYS 510.A NZ GLY 509.A O no hydrogen 3.565 N/A ALA 513.A N LYS 510.A O no hydrogen 3.145 N/A GLY 514.A N LYS 511.A O no hydrogen 3.072 N/A ILE 515.A N LYS 510.A O no hydrogen 2.822 N/A ALA 524.A N THR 469.A O no hydrogen 2.902 N/A LEU 525.A N LEU 500.A O no hydrogen 3.008 N/A LYS 527.A N VAL 498.A O no hydrogen 3.399 N/A LEU 528.A N TYR 465.A O no hydrogen 2.808 N/A LYS 529.A N GLU 495.A O no hydrogen 3.118 N/A LEU 532.A N GLU 464.A O no hydrogen 3.252 N/A LYS 533.A NZ LYS 531.A O no hydrogen 3.306 N/A GLY 535.A N ILE 538.A O no hydrogen 3.027 N/A CYS 545.A N GLN 564.A OE1 no hydrogen 2.867 N/A CYS 545.A SG CYS 561.A O no hydrogen 3.852 N/A THR 546.A OG1 LEU 543.A O no hydrogen 2.771 N/A GLU 547.A N GLY 708.A O no hydrogen 2.835 N/A THR 549.A N THR 546.A OG1 no hydrogen 3.200 N/A THR 549.A OG1 LEU 543.A O no hydrogen 2.812 N/A THR 549.A OG1 THR 546.A OG1 no hydrogen 2.715 N/A THR 550.A N THR 546.A O no hydrogen 3.011 N/A THR 550.A OG1 THR 546.A O no hydrogen 3.050 N/A ARG 551.A NE SER 424.A OG no hydrogen 3.369 N/A ARG 551.A NH1 GLU 209.A OE1 no hydrogen 3.307 N/A ARG 551.A NH2 SER 426.A O no hydrogen 3.263 N/A ALA 552.A N GLY 548.A O no hydrogen 3.283 N/A LEU 553.A N THR 549.A O no hydrogen 2.924 N/A ARG 554.A N ARG 551.A O no hydrogen 2.897 N/A LEU 555.A N THR 550.A O no hydrogen 2.944 N/A THR 559.A N PRO 556.A O no hydrogen 3.016 N/A THR 559.A OG1 PRO 556.A O no hydrogen 2.670 N/A THR 559.A OG1 GLN 563.A OE1 no hydrogen 3.511 N/A GLN 563.A N THR 560.A O no hydrogen 3.054 N/A GLN 564.A N THR 560.A O no hydrogen 3.435 N/A LYS 565.A N CYS 561.A O no hydrogen 3.369 N/A GLU 566.A N GLN 562.A O no hydrogen 3.313 N/A GLU 566.A N GLN 563.A O no hydrogen 3.221 N/A GLU 567.A N GLN 563.A O no hydrogen 3.144 N/A GLU 567.A N GLN 564.A O no hydrogen 3.039 N/A LEU 568.A N GLN 564.A O no hydrogen 2.795 N/A LEU 569.A N LYS 565.A O no hydrogen 2.968 N/A ILE 574.A N ILE 593.A O no hydrogen 3.151 N/A LYS 575.A NZ GLU 590.A OE1 no hydrogen 3.316 N/A ALA 576.A N VAL 591.A O no hydrogen 3.000 N/A LEU 577.A N ILE 650.A O no hydrogen 2.895 N/A PHE 578.A N LYS 589.A O no hydrogen 3.242 N/A SER 580.A N THR 587.A O no hydrogen 2.856 N/A SER 580.A OG ASP 644.A OD2 no hydrogen 2.780 N/A GLU 582.A N LYS 585.A O no hydrogen 2.888 N/A LYS 585.A N GLU 582.A O no hydrogen 3.059 N/A THR 587.A N SER 580.A O no hydrogen 2.787 N/A THR 587.A OG1 ARG 588.A O no hydrogen 3.549 N/A ARG 588.A NH2 LYS 438.A O no hydrogen 3.229 N/A LYS 589.A N PHE 578.A O no hydrogen 2.979 N/A VAL 591.A N ALA 576.A O no hydrogen 2.877 N/A TYR 592.A N ASP 637.A OD2 no hydrogen 2.893 N/A ILE 593.A N ILE 574.A O no hydrogen 2.780 N/A LYS 594.A N CYS 628.A O no hydrogen 2.803 N/A LYS 594.A NZ TYR 592.A O no hydrogen 2.783 N/A LYS 594.A NZ GLY 630.A O no hydrogen 3.112 N/A LYS 594.A NZ ASP 637.A OD2 no hydrogen 3.207 N/A CYS 602.A N LYS 598.A O no hydrogen 3.345 N/A CYS 602.A N LYS 599.A O no hydrogen 3.165 N/A CYS 602.A SG THR 629.A O no hydrogen 3.584 N/A GLU 603.A N LYS 599.A O no hydrogen 3.073 N/A ARG 604.A N GLY 600.A O no hydrogen 3.055 N/A ALA 606.A N GLU 603.A O no hydrogen 2.918 N/A TYR 612.A N ALA 609.A O no hydrogen 3.005 N/A TYR 612.A OH GLU 517.A O no hydrogen 2.787 N/A LYS 614.A NZ GLY 514.A O no hydrogen 2.822 N/A SER 619.A N ASP 617.A OD1 no hydrogen 3.173 N/A SER 619.A OG ASP 617.A OD1 no hydrogen 2.833 N/A SER 619.A OG ASP 617.A OD2 no hydrogen 2.763 N/A GLU 620.A N ASP 617.A O no hydrogen 3.200 N/A THR 623.A OG1 ASP 520.A OD1 no hydrogen 2.893 N/A ARG 625.A NE ASP 520.A OD1 no hydrogen 3.277 N/A ARG 625.A NH2 ASP 520.A OD1 no hydrogen 3.476 N/A ARG 625.A NH2 ASP 520.A OD2 no hydrogen 2.938 N/A LEU 627.A N HIS 688.A O no hydrogen 3.023 N/A CYS 628.A SG CYS 602.A O no hydrogen 3.114 N/A CYS 628.A SG THR 629.A O no hydrogen 4.034 N/A THR 629.A N ASP 686.A O no hydrogen 2.706 N/A THR 629.A OG1 ASP 686.A O no hydrogen 3.131 N/A THR 629.A OG1 HIS 688.A NE2 no hydrogen 2.839 N/A ASP 637.A N GLY 631.A O no hydrogen 3.266 N/A ASN 639.A ND2 ALA 684.A O no hydrogen 3.251 N/A THR 640.A N ASP 686.A OD2 no hydrogen 2.833 N/A CYS 641.A N ASP 644.A OD2 no hydrogen 3.468 N/A CYS 641.A SG ASP 644.A OD2 no hydrogen 3.895 N/A SER 645.A N ARG 642.A O no hydrogen 3.263 N/A SER 645.A OG HIS 472.A NE2 no hydrogen 2.859 N/A GLY 646.A N ILE 663.A O no hydrogen 2.955 N/A GLY 647.A N ASP 644.A O no hydrogen 2.897 N/A LEU 649.A N GLY 661.A O no hydrogen 2.860 N/A ILE 650.A N LEU 577.A O no hydrogen 2.898 N/A VAL 651.A N ILE 658.A O no hydrogen 2.800 N/A LYS 653.A N ARG 656.A O no hydrogen 3.077 N/A LYS 653.A NZ GLU 567.A O no hydrogen 3.025 N/A ARG 656.A N LYS 653.A O no hydrogen 2.868 N/A ARG 656.A NH2 GLU 209.A OE1 no hydrogen 3.474 N/A PHE 657.A N GLY 429.A O no hydrogen 3.070 N/A ILE 658.A N VAL 651.A O no hydrogen 3.484 N/A GLN 659.A N CYS 542.A O no hydrogen 3.145 N/A GLN 659.A NE2 GLY 661.A O no hydrogen 3.490 N/A VAL 660.A N LEU 649.A O no hydrogen 2.913 N/A VAL 662.A N ILE 689.A O no hydrogen 3.253 N/A ILE 663.A N GLY 647.A O no hydrogen 2.861 N/A SER 664.A N PHE 687.A O no hydrogen 3.167 N/A SER 664.A OG ASP 522.A OD2 no hydrogen 2.945 N/A VAL 667.A N ARG 685.A O no hydrogen 2.920 N/A CYS 671.A N ASP 669.A OD1 no hydrogen 3.070 N/A GLN 677.A N VAL 670.A O no hydrogen 3.182 N/A ALA 684.A N PRO 681.A O no hydrogen 3.511 N/A ARG 685.A NE ASP 605.A OD2 no hydrogen 2.871 N/A ARG 685.A NH1 GLY 630.A O no hydrogen 2.872 N/A ARG 685.A NH2 ASP 605.A OD2 no hydrogen 3.215 N/A ASP 686.A N THR 629.A O no hydrogen 2.969 N/A PHE 687.A N TRP 665.A O no hydrogen 2.961 N/A HIS 688.A N LEU 627.A O no hydrogen 2.986 N/A HIS 688.A NE2 THR 629.A OG1 no hydrogen 2.839 N/A ILE 689.A N VAL 662.A O no hydrogen 2.980 N/A ASN 690.A N ARG 625.A O no hydrogen 3.362 N/A LEU 691.A N VAL 660.A O no hydrogen 2.995 N/A PHE 692.A N ASN 690.A OD1 no hydrogen 2.983 N/A GLN 693.A N ASN 690.A O no hydrogen 3.098 N/A VAL 694.A N LEU 691.A O no hydrogen 3.099 N/A LEU 698.A N VAL 694.A O no hydrogen 3.178 N/A LYS 699.A N LEU 695.A O no hydrogen 2.771 N/A LYS 699.A NZ LEU 710.A O no hydrogen 3.290 N/A LYS 701.A N TRP 697.A O no hydrogen 3.214 N/A LEU 702.A N LEU 698.A O no hydrogen 2.962 N/A LEU 710.A N CYS 545.A O no hydrogen 3.175 N/A