Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6l8o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A N SER 100.A OG no hydrogen 3.318 N/A ARG 4.A N LEU 98.A O no hydrogen 2.898 N/A TYR 5.A OH SER 8.A OG no hydrogen 3.399 N/A ILE 6.A N CYS 96.A O no hydrogen 2.946 N/A SER 8.A OG TYR 5.A OH no hydrogen 3.399 N/A ILE 9.A N ILE 94.A O no hydrogen 2.854 N/A THR 11.A N ILE 92.A O no hydrogen 2.998 N/A GLY 13.A N ILE 90.A O no hydrogen 2.514 N/A PHE 14.A N ARG 51.A O no hydrogen 3.228 N/A ALA 15.A N ASP 88.A O no hydrogen 3.010 N/A THR 16.A N LEU 49.A O no hydrogen 2.489 N/A THR 16.A OG1 GLU 48.A OE2 no hydrogen 3.441 N/A SER 27.A N PRO 24.A O no hydrogen 3.255 N/A SER 27.A OG PRO 24.A O no hydrogen 2.552 N/A LEU 29.A N SER 27.A O no hydrogen 3.038 N/A GLY 30.A N ILE 41.A O no hydrogen 2.793 N/A LYS 32.A N ARG 39.A O no hydrogen 2.793 N/A LYS 33.A NZ ASP 65.A OD1 no hydrogen 3.073 N/A HIS 36.A N GLU 54.A OE1 no hydrogen 3.231 N/A HIS 36.A N GLU 54.A OE2 no hydrogen 3.148 N/A ARG 39.A N LYS 32.A O no hydrogen 2.777 N/A LEU 40.A N GLY 50.A O no hydrogen 2.683 N/A ILE 41.A N GLY 30.A O no hydrogen 2.997 N/A THR 43.A OG1 ARG 28.A O no hydrogen 2.534 N/A GLN 45.A NE2 GLN 45.A O no hydrogen 3.557 N/A ARG 47.A N ASP 42.A OD1 no hydrogen 3.375 N/A LEU 49.A N LEU 40.A O no hydrogen 2.833 N/A GLY 50.A N LEU 40.A O no hydrogen 2.995 N/A ARG 51.A N PHE 14.A O no hydrogen 3.008 N/A MET 52.A N VAL 38.A O no hydrogen 3.459 N/A VAL 56.A N PRO 53.A O no hydrogen 3.170 N/A ALA 57.A N PRO 53.A O no hydrogen 2.678 N/A ARG 58.A N GLU 54.A O no hydrogen 2.993 N/A ILE 59.A N VAL 56.A O no hydrogen 3.091 N/A LEU 60.A N VAL 56.A O no hydrogen 3.013 N/A TYR 61.A N ALA 57.A O no hydrogen 2.853 N/A LEU 63.A N LEU 60.A O no hydrogen 3.017 N/A LEU 64.A N LEU 60.A O no hydrogen 3.214 N/A ASP 65.A N PRO 62.A O no hydrogen 3.385 N/A TYR 66.A N LEU 63.A O no hydrogen 2.961 N/A TYR 66.A OH ARG 112.A O no hydrogen 3.302 N/A TYR 66.A OH HIS 115.A ND1 no hydrogen 3.260 N/A SER 67.A OG LEU 64.A O no hydrogen 2.527 N/A GLN 69.A N TYR 66.A O no hydrogen 2.921 N/A GLN 69.A NE2 GLN 101.A O no hydrogen 3.222 N/A VAL 70.A N TYR 66.A O no hydrogen 2.720 N/A GLU 73.A N ASP 95.A O no hydrogen 2.855 N/A TYR 75.A N ARG 93.A O no hydrogen 2.902 N/A LEU 76.A N SER 27.A O no hydrogen 3.416 N/A LEU 77.A N TYR 91.A O no hydrogen 2.853 N/A GLY 81.A N ASN 79.A OD1 no hydrogen 2.812 N/A SER 85.A N ASP 88.A OD2 no hydrogen 2.971 N/A ASP 88.A N SER 85.A O no hydrogen 3.405 N/A ILE 90.A N GLY 13.A O no hydrogen 2.571 N/A ILE 92.A N THR 11.A O no hydrogen 2.807 N/A ARG 93.A N TYR 75.A O no hydrogen 2.854 N/A ILE 94.A N ILE 9.A O no hydrogen 2.559 N/A ASP 95.A N GLU 73.A O no hydrogen 3.013 N/A CYS 96.A N GLY 7.A O no hydrogen 2.751 N/A CYS 96.A SG ILE 94.A O no hydrogen 3.658 N/A TYR 97.A N SER 71.A O no hydrogen 3.178 N/A LEU 98.A N ARG 4.A O no hydrogen 2.477 N/A THR 99.A N GLN 69.A O no hydrogen 3.163 N/A SER 100.A N TRP 2.A O no hydrogen 3.156 N/A ALA 102.A N THR 99.A O no hydrogen 3.071 N/A PHE 103.A N THR 99.A O no hydrogen 3.333 N/A VAL 104.A N PHE 245.A O no hydrogen 3.112 N/A GLN 113.A N MET 109.A O no hydrogen 3.041 N/A GLN 113.A NE2 TYR 438.A OH no hydrogen 2.355 N/A LEU 114.A N ASP 110.A O no hydrogen 2.678 N/A HIS 115.A N THR 111.A O no hydrogen 3.022 N/A HIS 115.A ND1 TYR 66.A OH no hydrogen 3.260 N/A ARG 116.A NE GLN 69.A OE1 no hydrogen 2.439 N/A ARG 116.A NH1 GLY 243.A O no hydrogen 2.402 N/A ARG 116.A NH2 GLY 243.A O no hydrogen 3.175 N/A ALA 117.A N GLN 113.A O no hydrogen 3.060 N/A GLY 118.A N LEU 114.A O no hydrogen 2.781 N/A ALA 119.A N HIS 115.A O no hydrogen 3.020 N/A ILE 120.A N ARG 116.A O no hydrogen 2.966 N/A MET 121.A N ALA 117.A O no hydrogen 3.278 N/A ALA 122.A N GLY 118.A O no hydrogen 2.810 N/A LEU 123.A N ALA 119.A O no hydrogen 2.942 N/A PHE 124.A N ILE 120.A O no hydrogen 3.108 N/A ASP 125.A N MET 121.A O no hydrogen 3.210 N/A ALA 126.A N ALA 122.A O no hydrogen 3.121 N/A ILE 127.A N LEU 123.A O no hydrogen 3.092 N/A ASN 128.A N ASP 125.A O no hydrogen 3.239 N/A ILE 129.A N PHE 124.A O no hydrogen 3.244 N/A VAL 132.A N LYS 225.A O no hydrogen 2.684 N/A ASN 143.A ND2 TYR 442.A O no hydrogen 3.477 N/A GLN 145.A NE2 MET 121.A O no hydrogen 3.212 N/A GLN 145.A NE2 ASP 125.A OD2 no hydrogen 3.419 N/A THR 148.A OG1 GLU 146.A O no hydrogen 3.137 N/A SER 150.A OG VAL 149.A O no hydrogen 2.581 N/A SER 152.A OG SER 150.A O no hydrogen 3.484 N/A GLN 155.A N GLU 448.A O no hydrogen 3.117 N/A GLU 157.A N ASP 156.A OD1 no hydrogen 2.593 N/A LEU 159.A N ASN 416.A O no hydrogen 2.805 N/A ASN 160.A N GLN 163.A OE1 no hydrogen 2.611 N/A ASN 162.A N ASN 160.A OD1 no hydrogen 3.033 N/A LEU 164.A N ASN 160.A O no hydrogen 2.644 N/A LYS 165.A N ILE 161.A O no hydrogen 3.125 N/A SER 166.A N ASN 162.A O no hydrogen 3.150 N/A SER 166.A OG ASN 162.A O no hydrogen 3.114 N/A PHE 167.A N GLN 163.A O no hydrogen 3.246 N/A TYR 168.A N LEU 164.A O no hydrogen 3.163 N/A ILE 170.A N PHE 167.A O no hydrogen 3.155 N/A THR 171.A N PHE 167.A O no hydrogen 3.346 N/A GLN 172.A N TYR 168.A O no hydrogen 2.954 N/A SER 176.A OG ASN 179.A OD1 no hydrogen 3.461 N/A LEU 180.A N LEU 177.A O no hydrogen 3.454 N/A THR 183.A N LYS 199.A O no hydrogen 2.991 N/A SER 188.A OG ASP 186.A OD2 no hydrogen 3.358 N/A LEU 189.A N ASP 186.A O no hydrogen 3.256 N/A LYS 191.A N ALA 320.A O no hydrogen 2.970 N/A LYS 191.A NZ GLU 318.A O no hydrogen 3.516 N/A GLN 193.A NE2 GLU 187.A OE2 no hydrogen 3.426 N/A ARG 195.A N GLN 198.A OE1 no hydrogen 2.978 N/A GLN 198.A NE2 LEU 267.A O no hydrogen 3.540 N/A GLN 198.A NE2 GLY 268.A O no hydrogen 3.668 N/A LYS 199.A N ARG 195.A O no hydrogen 3.010 N/A GLN 200.A N TYR 197.A O no hydrogen 3.161 N/A GLN 200.A NE2 GLN 178.A O no hydrogen 3.332 N/A GLN 200.A NE2 LEU 180.A O no hydrogen 3.288 N/A SER 201.A N TYR 197.A O no hydrogen 3.025 N/A SER 201.A OG TYR 197.A O no hydrogen 3.279 N/A SER 201.A OG GLN 198.A O no hydrogen 2.881 N/A SER 201.A OG SER 272.A OG no hydrogen 3.083 N/A LEU 202.A N GLN 198.A O no hydrogen 3.092 N/A SER 203.A N LYS 199.A O no hydrogen 3.313 N/A TRP 204.A N GLN 200.A O no hydrogen 2.901 N/A MET 205.A N SER 201.A O no hydrogen 2.662 N/A LEU 206.A N LEU 202.A O no hydrogen 2.780 N/A LYS 207.A N SER 203.A O no hydrogen 2.934 N/A ARG 208.A N TRP 204.A O no hydrogen 2.788 N/A ARG 208.A NE GLY 258.A O no hydrogen 2.944 N/A ARG 208.A NH1 THR 254.A OG1 no hydrogen 3.422 N/A GLU 209.A N MET 205.A O no hydrogen 3.011 N/A TYR 210.A N LYS 207.A O no hydrogen 2.974 N/A TYR 210.A OH THR 254.A OG1 no hydrogen 2.698 N/A GLU 211.A N LEU 206.A O no hydrogen 2.799 N/A TYR 212.A N TYR 210.A O no hydrogen 2.934 N/A SER 216.A OG SER 216.A O no hydrogen 2.323 N/A ASN 220.A ND2 PRO 250.A O no hydrogen 3.417 N/A TRP 223.A N ASN 220.A O no hydrogen 2.944 N/A LYS 224.A N ALA 238.A O no hydrogen 3.121 N/A LYS 224.A NZ MET 140.A O no hydrogen 3.535 N/A PHE 226.A N PHE 236.A O no hydrogen 2.912 N/A SER 232.A OG ASN 231.A O no hydrogen 2.681 N/A CYS 234.A N ASP 233.A OD1 no hydrogen 2.561 N/A PHE 236.A N PHE 226.A O no hydrogen 3.434 N/A TYR 237.A N SER 246.A O no hydrogen 3.299 N/A ALA 238.A N LYS 224.A O no hydrogen 3.267 N/A ASN 239.A N GLU 244.A O no hydrogen 2.884 N/A THR 242.A N ASN 239.A O no hydrogen 3.130 N/A THR 242.A N ASN 239.A OD1 no hydrogen 2.816 N/A THR 242.A OG1 ASN 239.A OD1 no hydrogen 2.790 N/A GLY 243.A N ASN 239.A O no hydrogen 2.933 N/A SER 246.A N TYR 237.A O no hydrogen 3.041 N/A SER 246.A OG GLU 248.A O no hydrogen 2.932 N/A THR 254.A OG1 TYR 210.A OH no hydrogen 2.698 N/A GLY 258.A N ARG 208.A O no hydrogen 3.255 N/A GLY 259.A N LYS 406.A O no hydrogen 3.054 N/A ILE 260.A N VAL 466.A O no hydrogen 3.325 N/A LEU 261.A N ILE 408.A O no hydrogen 2.815 N/A ALA 262.A N LEU 468.A O no hydrogen 3.103 N/A GLU 264.A N ARG 470.A O no hydrogen 3.481 N/A LYS 269.A NZ ASP 263.A O no hydrogen 3.236 N/A SER 272.A N GLY 268.A O no hydrogen 3.066 N/A SER 272.A OG SER 201.A OG no hydrogen 3.083 N/A SER 272.A OG GLY 268.A O no hydrogen 3.097 N/A ALA 273.A N LYS 269.A O no hydrogen 3.008 N/A LEU 274.A N THR 270.A O no hydrogen 3.111 N/A ALA 275.A N ILE 271.A O no hydrogen 2.989 N/A LEU 276.A N SER 272.A O no hydrogen 3.017 N/A ILE 277.A N ALA 273.A O no hydrogen 3.047 N/A CYS 278.A N LEU 274.A O no hydrogen 2.903 N/A CYS 278.A SG LEU 189.A O no hydrogen 4.024 N/A CYS 278.A SG LEU 274.A O no hydrogen 3.386 N/A CYS 278.A SG ASN 321.A OD1 no hydrogen 4.046 N/A THR 279.A N ALA 275.A O no hydrogen 3.111 N/A THR 279.A N LEU 276.A O no hydrogen 3.270 N/A THR 279.A OG1 ALA 275.A O no hydrogen 2.897 N/A ALA 280.A N LEU 276.A O no hydrogen 3.002 N/A ASP 283.A N TYR 298.A O no hydrogen 2.913 N/A GLU 287.A N ASP 283.A O no hydrogen 3.178 N/A LYS 288.A N GLU 284.A O no hydrogen 3.112 N/A LYS 289.A N ALA 285.A O no hydrogen 3.118 N/A ILE 290.A N HIS 286.A O no hydrogen 3.066 N/A SER 292.A N LYS 288.A O no hydrogen 2.940 N/A SER 292.A OG LYS 288.A O no hydrogen 2.714 N/A TYR 296.A N ASP 294.A OD1 no hydrogen 3.104 N/A TYR 296.A OH ASP 283.A OD2 no hydrogen 2.923 N/A ALA 297.A N VAL 375.A O no hydrogen 2.914 N/A ARG 299.A NH1 PRO 346.A O no hydrogen 3.521 N/A THR 300.A OG1 PRO 349.A O no hydrogen 2.862 N/A THR 301.A N SER 350.A O no hydrogen 2.724 N/A LEU 302.A N ARG 378.A O no hydrogen 2.728 N/A ILE 303.A N ILE 352.A O no hydrogen 2.845 N/A VAL 304.A N ILE 380.A O no hydrogen 2.932 N/A VAL 305.A N THR 354.A O no hydrogen 2.972 N/A SER 308.A OG LYS 673.A O no hydrogen 3.211 N/A SER 308.A OG GLU 677.A OE1 no hydrogen 3.076 N/A LEU 309.A N PRO 306.A O no hydrogen 3.214 N/A LEU 310.A N MET 307.A O no hydrogen 3.075 N/A TRP 313.A N LEU 309.A O no hydrogen 3.347 N/A TRP 313.A NE1 ASP 382.A OD2 no hydrogen 2.784 N/A GLN 314.A NE2 GLU 318.A OE2 no hydrogen 2.697 N/A GLN 314.A NE2 CYS 328.A O no hydrogen 2.944 N/A SER 315.A N ASN 311.A O no hydrogen 2.971 N/A GLU 316.A N GLN 312.A O no hydrogen 2.648 N/A PHE 317.A N TRP 313.A O no hydrogen 2.926 N/A GLU 318.A N GLN 314.A O no hydrogen 3.218 N/A LYS 319.A N SER 315.A O no hydrogen 2.956 N/A ALA 320.A N PHE 317.A O no hydrogen 3.135 N/A ASN 321.A N PHE 317.A O no hydrogen 2.798 N/A ASN 321.A ND2 ASP 323.A O no hydrogen 3.045 N/A ASN 321.A ND2 LYS 326.A O no hydrogen 3.031 N/A LYS 322.A N LEU 189.A O no hydrogen 3.304 N/A LYS 325.A N ASP 323.A OD1 no hydrogen 3.144 N/A LYS 326.A N ASP 323.A O no hydrogen 3.422 N/A LYS 326.A NZ CYS 278.A O no hydrogen 3.005 N/A ARG 327.A NH1 TYR 342.A OH no hydrogen 3.284 N/A ARG 327.A NH2 TYR 342.A OH no hydrogen 3.352 N/A CYS 328.A SG GLN 314.A OE1 no hydrogen 3.187 N/A GLU 329.A N VAL 351.A O no hydrogen 3.112 N/A TYR 331.A N ILE 353.A O no hydrogen 2.756 N/A TYR 331.A OH GLU 362.A OE2 no hydrogen 2.657 N/A ASN 334.A ND2 GLU 648.A OE2 no hydrogen 3.201 N/A ASN 335.A ND2 ILE 330.A O no hydrogen 2.946 N/A ARG 340.A N SER 369.A O no hydrogen 3.053 N/A ALA 341.A N ASP 338.A OD1 no hydrogen 3.095 N/A TYR 342.A N ASP 338.A O no hydrogen 2.979 N/A TYR 342.A OH GLU 329.A OE1 no hydrogen 3.044 N/A VAL 343.A N LEU 339.A O no hydrogen 3.023 N/A LEU 344.A N ARG 340.A O no hydrogen 3.250 N/A GLY 345.A N TYR 342.A O no hydrogen 3.251 N/A ALA 348.A N GLY 345.A O no hydrogen 3.234 N/A SER 350.A N ARG 327.A O no hydrogen 2.969 N/A VAL 351.A N ARG 327.A O no hydrogen 3.154 N/A ILE 352.A N THR 301.A O no hydrogen 3.019 N/A ILE 353.A N GLU 329.A O no hydrogen 2.963 N/A THR 354.A N ILE 303.A O no hydrogen 3.035 N/A THR 354.A OG1 TYR 331.A O no hydrogen 2.898 N/A THR 355.A N THR 354.A OG1 no hydrogen 2.803 N/A TYR 356.A OH ASP 382.A O no hydrogen 2.910 N/A ILE 359.A N THR 355.A O no hydrogen 2.943 N/A GLN 360.A N TYR 356.A O no hydrogen 2.577 N/A SER 361.A N GLY 357.A O no hydrogen 2.887 N/A GLU 362.A N ILE 358.A O no hydrogen 3.025 N/A TYR 363.A N ILE 359.A O no hydrogen 3.215 N/A GLY 364.A N GLN 360.A O no hydrogen 3.203 N/A SER 367.A N GLU 362.A O no hydrogen 2.960 N/A SER 367.A OG SER 369.A OG no hydrogen 2.884 N/A SER 369.A OG SER 367.A OG no hydrogen 2.884 N/A VAL 375.A N THR 295.A O no hydrogen 2.942 N/A PHE 376.A N ARG 402.A O no hydrogen 2.972 N/A PHE 377.A N THR 300.A O no hydrogen 3.234 N/A ARG 378.A NE GLU 209.A OE2 no hydrogen 2.775 N/A ARG 378.A NH1 ALA 280.A O no hydrogen 3.286 N/A ARG 378.A NH2 GLU 209.A OE1 no hydrogen 3.136 N/A ARG 378.A NH2 ALA 280.A O no hydrogen 2.457 N/A ILE 379.A N ARG 405.A O no hydrogen 2.899 N/A ILE 380.A N LEU 302.A O no hydrogen 2.831 N/A LEU 381.A N TRP 407.A O no hydrogen 2.995 N/A ASP 382.A N VAL 304.A O no hydrogen 2.951 N/A GLY 384.A N LEU 409.A O no hydrogen 3.249 N/A HIS 385.A ND1 THR 410.A OG1 no hydrogen 2.601 N/A THR 386.A N GLU 383.A O no hydrogen 3.197 N/A THR 386.A OG1 GLU 383.A O no hydrogen 2.724 N/A ILE 387.A N GLY 384.A O no hydrogen 3.297 N/A ARG 388.A NH1 HIS 385.A O no hydrogen 3.298 N/A SER 391.A N ASN 389.A OD1 no hydrogen 3.073 N/A SER 391.A OG ASN 389.A OD1 no hydrogen 2.815 N/A THR 392.A N ASN 389.A O no hydrogen 3.342 N/A THR 392.A OG1 ASN 389.A O no hydrogen 3.036 N/A THR 392.A OG1 SER 395.A OG no hydrogen 3.124 N/A SER 395.A OG ILE 387.A O no hydrogen 2.847 N/A SER 395.A OG ASN 389.A O no hydrogen 2.457 N/A SER 395.A OG THR 392.A OG1 no hydrogen 3.124 N/A LYS 396.A N THR 392.A O no hydrogen 3.127 N/A ALA 397.A N ARG 393.A O no hydrogen 2.999 N/A VAL 398.A N THR 394.A O no hydrogen 3.100 N/A ILE 399.A N SER 395.A O no hydrogen 2.961 N/A ALA 400.A N LYS 396.A O no hydrogen 3.224 N/A ALA 400.A N ALA 397.A O no hydrogen 3.082 N/A LEU 401.A N VAL 398.A O no hydrogen 3.010 N/A ARG 402.A NH2 PHE 372.A O no hydrogen 3.321 N/A SER 403.A OG ARG 405.A O no hydrogen 3.030 N/A SER 404.A N PHE 376.A O no hydrogen 3.013 N/A ARG 405.A N PHE 377.A O no hydrogen 3.103 N/A ARG 405.A NH1 GLU 209.A OE1 no hydrogen 2.835 N/A ARG 405.A NH1 GLU 211.A OE1 no hydrogen 2.708 N/A LYS 406.A N ASN 257.A O no hydrogen 3.159 N/A LYS 406.A NZ PHE 427.A O no hydrogen 2.828 N/A TRP 407.A N ILE 379.A O no hydrogen 2.836 N/A TRP 407.A NE1 GLU 209.A OE2 no hydrogen 2.613 N/A ILE 408.A N GLY 259.A O no hydrogen 3.067 N/A LEU 409.A N LEU 381.A O no hydrogen 2.717 N/A THR 410.A N LEU 261.A O no hydrogen 3.380 N/A THR 410.A OG1 HIS 385.A ND1 no hydrogen 2.601 N/A THR 412.A N THR 410.A OG1 no hydrogen 3.346 N/A ILE 415.A N ASP 420.A OD2 no hydrogen 3.314 N/A ASN 416.A N ASP 420.A OD2 no hydrogen 3.436 N/A ARG 417.A N ASP 420.A OD2 no hydrogen 3.244 N/A ARG 417.A NE ASP 419.A OD1 no hydrogen 3.274 N/A ARG 417.A NH2 ASP 419.A OD2 no hydrogen 3.270 N/A LEU 418.A N GLU 157.A O no hydrogen 3.420 N/A ASP 420.A N ARG 417.A O no hydrogen 3.324 N/A LEU 421.A N LEU 418.A O no hydrogen 3.291 N/A PHE 422.A N ASP 419.A O no hydrogen 3.006 N/A SER 423.A OG ILE 387.A O no hydrogen 2.796 N/A SER 423.A OG ASP 420.A O no hydrogen 3.360 N/A VAL 425.A N LEU 421.A O no hydrogen 2.915 N/A GLN 426.A N PHE 422.A O no hydrogen 2.563 N/A PHE 427.A N SER 423.A O no hydrogen 2.750 N/A LEU 428.A N LEU 424.A O no hydrogen 3.209 N/A ASN 429.A ND2 GLU 431.A OE2 no hydrogen 3.473 N/A LEU 430.A N VAL 425.A O no hydrogen 3.359 N/A SER 434.A N LEU 430.A O no hydrogen 2.689 N/A HIS 435.A N PRO 432.A O no hydrogen 3.020 N/A HIS 435.A NE2 GLU 431.A OE1 no hydrogen 2.860 N/A TRP 439.A N HIS 435.A O no hydrogen 3.326 N/A LYS 440.A N ILE 436.A O no hydrogen 2.813 N/A ARG 441.A N ASN 437.A O no hydrogen 3.053 N/A TYR 442.A OH TYR 241.A O no hydrogen 2.590 N/A VAL 443.A N TRP 439.A O no hydrogen 2.928 N/A SER 444.A N TRP 439.A O no hydrogen 3.059 N/A VAL 445.A N LYS 440.A O no hydrogen 2.964 N/A PHE 447.A N VAL 443.A O no hydrogen 3.066 N/A GLU 448.A N SER 444.A O no hydrogen 2.651 N/A LYS 449.A N VAL 445.A O no hydrogen 2.967 N/A LYS 449.A NZ GLU 146.A OE2 no hydrogen 3.491 N/A GLY 450.A N PHE 447.A O no hydrogen 2.918 N/A TYR 452.A N GLY 450.A O no hydrogen 2.858 N/A PHE 456.A N TYR 452.A O no hydrogen 2.853 N/A ASP 457.A N ALA 453.A O no hydrogen 3.156 N/A VAL 458.A N GLN 454.A O no hydrogen 3.402 N/A ILE 459.A N ALA 455.A O no hydrogen 2.882 N/A ASN 460.A N PHE 456.A O no hydrogen 2.814 N/A ALA 461.A N ASP 457.A O no hydrogen 2.920 N/A ALA 461.A N VAL 458.A O no hydrogen 3.085 N/A VAL 462.A N VAL 458.A O no hydrogen 3.169 N/A VAL 462.A N ILE 459.A O no hydrogen 3.212 N/A LEU 463.A N ILE 459.A O no hydrogen 3.154 N/A GLU 464.A N ASN 460.A O no hydrogen 3.305 N/A VAL 466.A N LEU 463.A O no hydrogen 2.976 N/A LEU 467.A N LEU 463.A O no hydrogen 2.541 N/A LEU 468.A N ILE 260.A O no hydrogen 3.197 N/A ARG 469.A NE GLN 172.A OE1 no hydrogen 3.126 N/A ARG 469.A NH1 GLY 411.A O no hydrogen 3.366 N/A ARG 470.A N ASP 263.A OD1 no hydrogen 2.551 N/A LYS 472.A N GLU 264.A OE1 no hydrogen 3.323 N/A LYS 472.A NZ MET 265.A O no hydrogen 3.059 N/A LYS 472.A NZ GLN 786.A O no hydrogen 3.005 N/A MET 474.A N THR 471.A O no hydrogen 2.894 N/A LYS 475.A NZ ASN 473.A O no hydrogen 3.532 N/A ASP 476.A N LYS 480.A O no hydrogen 2.608 N/A GLY 479.A N ASP 476.A O no hydrogen 3.286 N/A LEU 482.A N MET 474.A O no hydrogen 2.966 N/A LYS 488.A NZ ASP 778.A OD1 no hydrogen 2.939 N/A GLU 489.A N VAL 789.A O no hydrogen 2.920 N/A ILE 491.A N VAL 791.A O no hydrogen 2.856 N/A GLU 493.A N ARG 793.A O no hydrogen 2.732 N/A LYS 494.A NZ GLU 802.A OE1 no hydrogen 3.008 N/A LEU 495.A N ILE 795.A O no hydrogen 2.893 N/A SER 498.A N GLU 501.A OE2 no hydrogen 3.367 N/A LYS 502.A N SER 498.A O no hydrogen 2.973 N/A VAL 504.A N SER 500.A O no hydrogen 3.450 N/A TYR 505.A N GLU 501.A O no hydrogen 2.983 N/A GLN 506.A N LYS 502.A O no hydrogen 2.761 N/A SER 507.A N ARG 503.A O no hydrogen 3.239 N/A MET 508.A N VAL 504.A O no hydrogen 3.026 N/A LEU 509.A N TYR 505.A O no hydrogen 3.052 N/A LEU 509.A N GLN 506.A O no hydrogen 3.223 N/A GLU 510.A N GLN 506.A O no hydrogen 3.237 N/A ASP 511.A N SER 507.A O no hydrogen 3.518 N/A ALA 512.A N MET 508.A O no hydrogen 3.192 N/A GLU 513.A N LEU 509.A O no hydrogen 2.714 N/A ASN 514.A N GLU 510.A O no hydrogen 2.580 N/A SER 515.A N ASP 511.A O no hydrogen 3.138 N/A SER 515.A OG ASN 531.A OD1 no hydrogen 2.952 N/A VAL 516.A N ALA 512.A O no hydrogen 3.166 N/A LYS 517.A N GLU 513.A O no hydrogen 2.969 N/A GLU 518.A N ASN 514.A O no hydrogen 3.016 N/A GLY 519.A N SER 515.A O no hydrogen 3.332 N/A LEU 520.A N VAL 516.A O no hydrogen 2.969 N/A ALA 521.A N LYS 517.A O no hydrogen 2.982 N/A LYS 522.A N GLY 519.A O no hydrogen 3.104 N/A LEU 526.A N ASP 524.A OD1 no hydrogen 3.384 N/A LYS 527.A N ASP 524.A O no hydrogen 3.309 N/A ASN 528.A N LEU 525.A O no hydrogen 3.253 N/A ASN 528.A ND2 SER 515.A O no hydrogen 3.342 N/A TYR 529.A N LEU 526.A O no hydrogen 3.075 N/A ILE 532.A N ASN 528.A O no hydrogen 2.689 N/A LEU 533.A N TYR 529.A O no hydrogen 3.129 N/A VAL 534.A N THR 530.A O no hydrogen 3.257 N/A HIS 535.A ND1 ASN 531.A O no hydrogen 2.855 N/A ILE 536.A N ILE 532.A O no hydrogen 2.898 N/A LEU 537.A N LEU 533.A O no hydrogen 2.831 N/A ARG 538.A N VAL 534.A O no hydrogen 2.995 N/A LEU 539.A N HIS 535.A O no hydrogen 3.001 N/A ARG 540.A N ILE 536.A O no hydrogen 2.994 N/A ARG 540.A NH2 GLN 689.A OE1 no hydrogen 2.637 N/A GLN 541.A N LEU 537.A O no hydrogen 2.864 N/A VAL 542.A N ARG 538.A O no hydrogen 3.005 N/A CYS 543.A N LEU 539.A O no hydrogen 3.266 N/A CYS 543.A SG LEU 539.A O no hydrogen 3.297 N/A CYS 544.A SG ARG 540.A O no hydrogen 3.860 N/A CYS 544.A SG MET 764.A O no hydrogen 3.772 N/A HIS 545.A N GLN 541.A O no hydrogen 2.951 N/A ASP 547.A N HIS 545.A ND1 no hydrogen 2.946 N/A LEU 548.A N HIS 545.A O no hydrogen 3.159 N/A LEU 549.A N LEU 546.A O no hydrogen 3.335 N/A SER 554.A N ASN 637.A OD1 no hydrogen 3.398 N/A SER 554.A OG ASN 637.A OD1 no hydrogen 3.210 N/A GLN 557.A N SER 703.A O no hydrogen 2.818 N/A LEU 560.A N SER 556.A O no hydrogen 3.022 N/A ASP 561.A N GLN 557.A O no hydrogen 2.955 N/A ALA 562.A N ASP 558.A O no hydrogen 3.074 N/A LEU 563.A N LYS 559.A O no hydrogen 2.646 N/A SER 564.A N LEU 560.A O no hydrogen 2.639 N/A SER 564.A OG LEU 560.A O no hydrogen 2.855 N/A ALA 565.A N ASP 561.A O no hydrogen 2.958 N/A ASN 566.A N ALA 562.A O no hydrogen 3.056 N/A PHE 567.A N LEU 563.A O no hydrogen 2.897 N/A ARG 568.A N SER 564.A O no hydrogen 2.965 N/A ARG 568.A NH1 TYR 651.A O no hydrogen 2.911 N/A ASP 569.A N ALA 565.A O no hydrogen 2.989 N/A ILE 570.A N ASN 566.A O no hydrogen 2.830 N/A HIS 571.A N PHE 567.A O no hydrogen 3.036 N/A HIS 571.A ND1 PHE 567.A O no hydrogen 3.240 N/A SER 572.A OG ARG 568.A O no hydrogen 3.411 N/A SER 572.A OG ASP 569.A O no hydrogen 3.095 N/A CYS 585.A SG THR 587.A OG1 no hydrogen 2.990 N/A THR 586.A N CYS 582.A O no hydrogen 2.989 N/A THR 586.A OG1 CYS 585.A O no hydrogen 2.487 N/A CYS 589.A SG GLU 591.A OE2 no hydrogen 3.830 N/A ILE 590.A N PHE 580.A O no hydrogen 3.060 N/A ALA 595.A N PRO 592.A O no hydrogen 3.058 N/A VAL 596.A N LEU 593.A O no hydrogen 3.181 N/A SER 597.A N PHE 605.A O no hydrogen 2.704 N/A ILE 598.A N LEU 639.A O no hydrogen 2.861 N/A THR 599.A N HIS 603.A O no hydrogen 3.131 N/A CYS 601.A SG THR 599.A OG1 no hydrogen 3.131 N/A CYS 601.A SG HIS 603.A ND1 no hydrogen 3.140 N/A LEU 602.A N THR 599.A O no hydrogen 3.064 N/A THR 604.A OG1 GLU 581.A O no hydrogen 2.430 N/A PHE 605.A N SER 597.A O no hydrogen 2.682 N/A GLU 607.A N ALA 595.A O no hydrogen 2.795 N/A LEU 610.A N CYS 606.A O no hydrogen 3.016 N/A ALA 611.A N GLU 607.A O no hydrogen 3.177 N/A GLU 612.A N PRO 608.A O no hydrogen 2.828 N/A TYR 613.A N CYS 609.A O no hydrogen 3.139 N/A TYR 613.A OH ASN 625.A O no hydrogen 2.930 N/A ILE 614.A N LEU 610.A O no hydrogen 2.993 N/A GLU 615.A N ALA 611.A O no hydrogen 2.891 N/A PHE 616.A N GLU 612.A O no hydrogen 2.958 N/A GLN 617.A N TYR 613.A O no hydrogen 2.891 N/A GLN 618.A N ILE 614.A O no hydrogen 2.758 N/A GLN 618.A NE2 GLU 635.A OE1 no hydrogen 2.482 N/A ASN 619.A N GLU 615.A O no hydrogen 2.890 N/A LYS 621.A N GLN 618.A O no hydrogen 3.017 N/A LEU 622.A N GLN 617.A O no hydrogen 2.932 N/A ASN 625.A ND2 SER 623.A O no hydrogen 3.299 N/A CYS 626.A N MET 631.A O no hydrogen 3.053 N/A ARG 630.A N CYS 626.A O no hydrogen 2.913 N/A ASN 637.A N SER 634.A O no hydrogen 2.792 N/A ASN 637.A ND2 SER 554.A OG no hydrogen 3.245 N/A ASN 637.A ND2 GLU 600.A OE1 no hydrogen 3.099 N/A VAL 638.A N GLU 635.A O no hydrogen 3.280 N/A LEU 639.A N ILE 598.A O no hydrogen 2.574 N/A LYS 640.A N ILE 654.A O no hydrogen 2.877 N/A LYS 642.A N GLU 652.A O no hydrogen 2.920 N/A GLU 648.A N ASP 646.A OD1 no hydrogen 2.785 N/A ARG 649.A N ASP 646.A O no hydrogen 3.349 N/A GLY 650.A N ASP 646.A O no hydrogen 2.946 N/A LEU 653.A N SER 564.A OG no hydrogen 2.753 N/A ILE 654.A N LYS 640.A O no hydrogen 2.938 N/A SER 655.A OG HIS 657.A O no hydrogen 2.929 N/A PHE 656.A N VAL 638.A O no hydrogen 2.761 N/A SER 662.A OG CYS 544.A O no hydrogen 2.831 N/A THR 663.A OG1 GLU 501.A OE2 no hydrogen 2.339 N/A LYS 664.A NZ MET 764.A O no hydrogen 2.614 N/A LYS 664.A NZ PHE 794.A O no hydrogen 3.177 N/A LYS 664.A NZ GLU 801.A OE1 no hydrogen 2.905 N/A LYS 664.A NZ GLU 801.A OE2 no hydrogen 2.582 N/A ILE 665.A N SER 662.A OG no hydrogen 3.313 N/A LYS 666.A N SER 662.A O no hydrogen 2.960 N/A ALA 667.A N THR 663.A O no hydrogen 3.053 N/A LEU 668.A N LYS 664.A O no hydrogen 2.842 N/A LEU 669.A N ILE 665.A O no hydrogen 2.994 N/A ARG 670.A N LYS 666.A O no hydrogen 3.161 N/A ARG 670.A NH2 GLU 493.A OE2 no hydrogen 3.311 N/A HIS 671.A N ALA 667.A O no hydrogen 3.029 N/A HIS 671.A NE2 GLU 493.A OE1 no hydrogen 2.789 N/A HIS 671.A NE2 GLU 493.A OE2 no hydrogen 3.194 N/A LEU 672.A N LEU 668.A O no hydrogen 2.852 N/A LYS 673.A N LEU 669.A O no hydrogen 2.924 N/A GLN 674.A N HIS 671.A O no hydrogen 2.925 N/A ILE 675.A N HIS 671.A O no hydrogen 2.918 N/A GLN 676.A N LEU 672.A O no hydrogen 3.128 N/A THR 678.A N GLN 674.A O no hydrogen 3.053 N/A THR 678.A OG1 GLN 674.A O no hydrogen 2.386 N/A SER 679.A N ILE 675.A O no hydrogen 3.014 N/A ILE 684.A N LYS 740.A O no hydrogen 2.751 N/A ILE 685.A N ARG 760.A O no hydrogen 3.013 N/A VAL 686.A N LEU 742.A O no hydrogen 2.841 N/A PHE 687.A N PHE 762.A O no hydrogen 2.789 N/A SER 688.A OG ASP 765.A OD2 no hydrogen 2.611 N/A GLN 689.A N ASP 765.A OD1 no hydrogen 3.223 N/A GLN 689.A N ASP 765.A OD2 no hydrogen 3.136 N/A GLN 689.A NE2 PRO 766.A O no hydrogen 2.537 N/A LEU 694.A N PHE 690.A O no hydrogen 3.295 N/A ASP 695.A N SER 691.A O no hydrogen 3.047 N/A ILE 696.A N SER 692.A O no hydrogen 2.966 N/A LEU 697.A N PHE 693.A O no hydrogen 2.775 N/A GLU 698.A N LEU 694.A O no hydrogen 2.942 N/A ILE 699.A N ASP 695.A O no hydrogen 3.280 N/A GLU 700.A N ILE 696.A O no hydrogen 2.869 N/A LEU 701.A N LEU 697.A O no hydrogen 2.755 N/A ARG 702.A N GLU 698.A O no hydrogen 3.065 N/A SER 703.A N ILE 699.A O no hydrogen 3.163 N/A SER 703.A N GLU 700.A O no hydrogen 3.244 N/A HIS 704.A N GLU 700.A O no hydrogen 3.088 N/A HIS 704.A ND1 GLU 700.A O no hydrogen 2.841 N/A ARG 707.A N ASP 558.A OD2 no hydrogen 2.888 N/A GLN 709.A N PRO 706.A O no hydrogen 3.355 N/A VAL 710.A N PRO 706.A O no hydrogen 3.016 N/A ILE 711.A N ILE 739.A O no hydrogen 2.914 N/A TYR 713.A N LEU 741.A O no hydrogen 2.621 N/A LYS 714.A NZ ASP 695.A OD1 no hydrogen 2.997 N/A PHE 715.A N LEU 743.A O no hydrogen 2.787 N/A GLU 723.A N ASP 720.A O no hydrogen 3.131 N/A GLU 723.A N ASP 720.A OD1 no hydrogen 3.266 N/A ARG 724.A N ASP 720.A O no hydrogen 3.201 N/A THR 725.A N MET 721.A O no hydrogen 3.001 N/A THR 725.A OG1 MET 721.A O no hydrogen 3.015 N/A THR 725.A OG1 LYS 722.A O no hydrogen 2.986 N/A ARG 726.A N LYS 722.A O no hydrogen 2.930 N/A ILE 727.A N GLU 723.A O no hydrogen 2.824 N/A LEU 728.A N ARG 724.A O no hydrogen 3.119 N/A GLU 729.A N THR 725.A O no hydrogen 2.641 N/A GLN 730.A N ARG 726.A O no hydrogen 3.018 N/A PHE 731.A N ILE 727.A O no hydrogen 2.784 N/A PHE 731.A N LEU 728.A O no hydrogen 3.126 N/A HIS 732.A N LEU 728.A O no hydrogen 2.916 N/A HIS 732.A ND1 LEU 728.A O no hydrogen 2.924 N/A LYS 734.A NZ GLY 681.A O no hydrogen 2.990 N/A LYS 734.A NZ GLN 683.A OE1 no hydrogen 3.288 N/A SER 737.A N ASP 735.A OD1 no hydrogen 3.271 N/A SER 737.A OG ASP 735.A OD1 no hydrogen 2.902 N/A SER 737.A OG ASP 735.A OD2 no hydrogen 2.953 N/A CYS 738.A N ASP 735.A O no hydrogen 3.149 N/A CYS 738.A SG ASP 735.A O no hydrogen 3.789 N/A CYS 738.A SG ASP 735.A OD2 no hydrogen 3.638 N/A ILE 739.A N GLN 709.A O no hydrogen 3.004 N/A LYS 740.A N GLU 682.A O no hydrogen 3.138 N/A LYS 740.A NZ GLN 730.A O no hydrogen 2.567 N/A LYS 740.A NZ ASP 733.A O no hydrogen 2.689 N/A LEU 741.A N ILE 711.A O no hydrogen 2.817 N/A LEU 742.A N ILE 684.A O no hydrogen 2.823 N/A LEU 743.A N TYR 713.A O no hydrogen 2.615 N/A LEU 744.A N VAL 686.A O no hydrogen 3.278 N/A LEU 746.A N SER 688.A O no hydrogen 2.811 N/A LYS 747.A N SER 745.A OG no hydrogen 3.094 N/A THR 748.A OG1 SER 745.A O no hydrogen 3.442 N/A THR 748.A OG1 GLY 749.A O no hydrogen 3.422 N/A GLY 749.A N SER 745.A O no hydrogen 3.306 N/A LEU 753.A N GLY 750.A O no hydrogen 2.857 N/A THR 756.A N ASN 754.A OD1 no hydrogen 3.053 N/A THR 756.A OG1 ASN 754.A OD1 no hydrogen 2.743 N/A CYS 757.A SG PHE 731.A O no hydrogen 4.041 N/A ALA 758.A N LEU 755.A O no hydrogen 3.228 N/A SER 759.A N GLN 683.A O no hydrogen 3.045 N/A SER 759.A OG GLN 787.A OE1 no hydrogen 2.982 N/A ARG 760.A NE GLU 682.A OE1 no hydrogen 2.802 N/A ALA 761.A N LYS 790.A O no hydrogen 2.873 N/A PHE 762.A N ILE 685.A O no hydrogen 2.843 N/A MET 763.A N VAL 792.A O no hydrogen 2.866 N/A MET 764.A N PHE 687.A O no hydrogen 2.908 N/A TRP 767.A N GLU 773.A OE1 no hydrogen 3.219 N/A SER 769.A OG ASP 816.A OD2 no hydrogen 2.239 N/A GLY 771.A N SER 769.A OG no hydrogen 3.180 N/A ASP 774.A N PRO 770.A O no hydrogen 2.919 N/A GLN 775.A N GLY 771.A O no hydrogen 2.770 N/A ALA 776.A N MET 772.A O no hydrogen 3.144 N/A ILE 777.A N GLU 773.A O no hydrogen 3.161 N/A ASP 778.A N ASP 774.A O no hydrogen 2.860 N/A ARG 779.A N ALA 776.A O no hydrogen 3.442 N/A ARG 779.A NE GLY 750.A O no hydrogen 2.573 N/A ARG 779.A NH2 LEU 753.A O no hydrogen 3.544 N/A ILE 780.A N ILE 777.A O no hydrogen 3.136 N/A HIS 781.A NE2 ASP 778.A OD1 no hydrogen 3.190 N/A GLN 785.A NE2 PRO 487.A O no hydrogen 3.253 N/A GLN 786.A N GLN 786.A OE1 no hydrogen 2.423 N/A THR 788.A OG1 PRO 486.A O no hydrogen 2.793 N/A VAL 789.A N PRO 487.A O no hydrogen 3.299 N/A LYS 790.A N SER 759.A O no hydrogen 2.953 N/A VAL 791.A N GLU 489.A O no hydrogen 2.752 N/A VAL 792.A N ALA 761.A O no hydrogen 3.038 N/A ARG 793.A N ILE 491.A O no hydrogen 2.711 N/A ARG 793.A NH2 GLU 773.A OE2 no hydrogen 3.147 N/A ARG 793.A NH2 GLN 808.A OE1 no hydrogen 3.278 N/A PHE 794.A N MET 763.A O no hydrogen 3.127 N/A ILE 795.A N GLU 493.A O no hydrogen 3.118 N/A ILE 796.A N GLU 801.A OE1 no hydrogen 2.964 N/A ASP 797.A N LEU 495.A O no hydrogen 2.669 N/A ASN 798.A N GLU 802.A OE1 no hydrogen 3.343 N/A SER 799.A OG ILE 796.A O no hydrogen 2.450 N/A GLU 801.A N SER 799.A OG no hydrogen 3.331 N/A LYS 803.A N SER 799.A O no hydrogen 3.342 N/A LYS 803.A NZ GLN 838.A O no hydrogen 2.771 N/A MET 804.A N VAL 800.A O no hydrogen 2.774 N/A LEU 805.A N GLU 801.A O no hydrogen 3.075 N/A ILE 807.A N LYS 803.A O no hydrogen 3.060 N/A GLN 808.A N MET 804.A O no hydrogen 2.874 N/A GLN 808.A NE2 TRP 767.A O no hydrogen 2.512 N/A GLN 808.A NE2 GLU 773.A OE1 no hydrogen 2.608 N/A GLU 809.A N LEU 805.A O no hydrogen 2.928 N/A ARG 810.A N ARG 806.A O no hydrogen 3.160 N/A ARG 810.A NH1 GLU 831.A OE2 no hydrogen 2.230 N/A LYS 811.A N ILE 807.A O no hydrogen 2.937 N/A LYS 811.A NZ TRP 768.A O no hydrogen 2.799 N/A LYS 811.A NZ ASP 816.A OD1 no hydrogen 3.507 N/A ARG 812.A N GLN 808.A O no hydrogen 2.896 N/A ARG 812.A NE ASP 774.A OD2 no hydrogen 3.277 N/A ARG 812.A NH2 ASP 774.A OD1 no hydrogen 3.496 N/A ARG 812.A NH2 ASP 774.A OD2 no hydrogen 3.144 N/A MET 813.A N ARG 810.A O no hydrogen 2.936 N/A LEU 814.A N ARG 810.A O no hydrogen 3.033 N/A ARG 825.A N ASP 821.A O no hydrogen 3.031 N/A ARG 829.A N ARG 825.A O no hydrogen 3.076 N/A ILE 830.A N ARG 826.A O no hydrogen 2.814 N/A GLU 831.A N GLN 827.A O no hydrogen 2.782 N/A GLU 832.A N LYS 828.A O no hydrogen 2.893 N/A ILE 833.A N ARG 829.A O no hydrogen 3.354 N/A GLN 834.A N ILE 830.A O no hydrogen 2.914 N/A MET 835.A N GLU 831.A O no hydrogen 2.788 N/A LEU 836.A N GLU 832.A O no hydrogen 3.061 N/A LEU 836.A N ILE 833.A O no hydrogen 3.091 N/A PHE 837.A N ILE 833.A O no hydrogen 3.176 N/A PHE 837.A N GLN 834.A O no hydrogen 3.347 N/A GLN 838.A N GLN 834.A O no hydrogen 3.036 N/A