Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kyn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N THR 1.A O no hydrogen 3.074 N/A ILE 6.A N TYR 2.A O no hydrogen 2.917 N/A GLN 7.A N LEU 3.A O no hydrogen 3.057 N/A GLN 8.A N GLU 4.A O no hydrogen 3.035 N/A ASN 9.A N PHE 5.A O no hydrogen 3.029 N/A ASN 9.A ND2 PHE 5.A O no hydrogen 2.375 N/A GLU 10.A N ILE 6.A O no hydrogen 3.194 N/A GLU 11.A N GLN 7.A O no hydrogen 3.132 N/A ARG 12.A N GLN 8.A O no hydrogen 3.096 N/A ASP 13.A N ASN 9.A O no hydrogen 3.015 N/A GLY 14.A N GLU 10.A O no hydrogen 2.822 N/A ARG 16.A N LEU 39.A O no hydrogen 2.977 N/A ARG 16.A NE ASP 501.A OD2 no hydrogen 2.810 N/A ARG 16.A NH1 GLU 10.A OE1 no hydrogen 2.904 N/A ARG 16.A NH2 ASP 501.A OD1 no hydrogen 3.201 N/A ARG 16.A NH2 ASP 501.A OD2 no hydrogen 3.190 N/A ARG 16.A NH2 GLU 503.A OE1 no hydrogen 3.092 N/A SER 18.A N ALA 37.A O no hydrogen 2.782 N/A SER 18.A OG PRO 35.A O no hydrogen 2.584 N/A SER 18.A OG ALA 37.A O no hydrogen 3.195 N/A TRP 19.A NE1 VAL 34.A O no hydrogen 2.902 N/A ASN 20.A N SER 499.A O no hydrogen 3.045 N/A ASN 20.A ND2 SER 499.A O no hydrogen 3.502 N/A VAL 21.A N SER 499.A OG no hydrogen 2.987 N/A TRP 22.A N ASN 485.A O no hydrogen 2.904 N/A TRP 22.A NE1 TRP 19.A O no hydrogen 2.759 N/A SER 24.A N ALA 487.A O no hydrogen 2.793 N/A SER 25.A OG HIS 450.A ND1 no hydrogen 2.685 N/A ARG 26.A N ASN 448.A O no hydrogen 2.859 N/A LEU 27.A N SER 25.A OG no hydrogen 3.057 N/A GLU 28.A N SER 25.A OG no hydrogen 3.324 N/A ALA 29.A N SER 25.A O no hydrogen 3.105 N/A THR 30.A N ARG 26.A O no hydrogen 3.479 N/A MET 32.A N GLU 28.A O no hydrogen 3.004 N/A ALA 37.A N SER 18.A OG no hydrogen 2.778 N/A ALA 38.A N ILE 442.A O no hydrogen 2.911 N/A LEU 39.A N ARG 16.A O no hydrogen 2.891 N/A PHE 40.A N LEU 440.A O no hydrogen 2.641 N/A THR 41.A N GLY 14.A O no hydrogen 2.871 N/A THR 41.A OG1 THR 439.A OG1 no hydrogen 3.058 N/A LYS 44.A N THR 41.A O no hydrogen 3.118 N/A LEU 49.A N ARG 46.A O no hydrogen 3.249 N/A ILE 52.A N GLU 116.A O no hydrogen 2.877 N/A TYR 54.A OH GLU 107.A OE2 no hydrogen 2.459 N/A CYS 59.A N ALA 66.A O no hydrogen 2.703 N/A SER 60.A N ASN 90.A OD1 no hydrogen 2.962 N/A SER 60.A OG ASN 90.A OD1 no hydrogen 2.560 N/A CYS 64.A N ARG 61.A O no hydrogen 3.161 N/A ARG 65.A N ARG 61.A O no hydrogen 3.181 N/A ARG 65.A NE CYS 59.A O no hydrogen 3.015 N/A ARG 65.A NH2 CYS 59.A O no hydrogen 3.455 N/A VAL 67.A N GLN 463.A OE1 no hydrogen 2.833 N/A LEU 68.A N VAL 57.A O no hydrogen 2.889 N/A ASN 69.A ND2 VAL 67.A O no hydrogen 2.950 N/A ASN 69.A ND2 ASN 84.A OD1 no hydrogen 2.739 N/A LEU 71.A N ASN 69.A OD1 no hydrogen 2.943 N/A CYS 72.A N ASN 69.A O no hydrogen 3.119 N/A CYS 72.A SG ASN 69.A O no hydrogen 3.456 N/A CYS 72.A SG ASN 84.A OD1 no hydrogen 3.431 N/A ASP 75.A N LEU 80.A O no hydrogen 2.790 N/A ALA 78.A N ASP 75.A OD1 no hydrogen 2.916 N/A LEU 80.A N ASP 75.A O no hydrogen 3.181 N/A TRP 81.A N ASN 90.A O no hydrogen 2.782 N/A ALA 82.A N GLN 73.A O no hydrogen 2.905 N/A CYS 83.A N GLN 88.A O no hydrogen 2.904 N/A TYR 87.A N CYS 83.A O no hydrogen 2.818 N/A GLN 88.A NE2 ARG 89.A O no hydrogen 3.204 N/A ASN 90.A N TRP 81.A O no hydrogen 2.659 N/A TYR 96.A N PRO 93.A O no hydrogen 2.885 N/A TYR 96.A OH GLU 107.A OE1 no hydrogen 2.563 N/A ALA 97.A N PRO 94.A O no hydrogen 3.449 N/A ILE 99.A N TYR 96.A O no hydrogen 2.858 N/A SER 100.A N ASN 103.A O no hydrogen 2.995 N/A ASN 103.A N SER 100.A OG no hydrogen 3.110 N/A ASN 103.A ND2 GLY 98.A O no hydrogen 3.480 N/A GLN 104.A NE2 GLU 101.A O no hydrogen 2.593 N/A GLU 107.A N GLU 107.A OE2 no hydrogen 2.515 N/A LEU 108.A N PRO 105.A O no hydrogen 3.045 N/A LEU 109.A N ALA 106.A O no hydrogen 3.097 N/A GLN 111.A N GLN 111.A OE1 no hydrogen 2.815 N/A PHE 112.A N LEU 109.A O no hydrogen 2.854 N/A SER 113.A N PRO 110.A O no hydrogen 3.300 N/A SER 113.A OG ASP 13.A OD1 no hydrogen 2.755 N/A SER 114.A OG ARG 12.A O no hydrogen 3.121 N/A SER 114.A OG ASP 13.A OD1 no hydrogen 2.832 N/A SER 114.A OG THR 480.A OG1 no hydrogen 2.839 N/A ILE 115.A N VAL 479.A O no hydrogen 2.801 N/A TYR 117.A N ILE 477.A O no hydrogen 2.684 N/A VAL 118.A N ILE 52.A O no hydrogen 2.763 N/A VAL 119.A N ARG 475.A O no hydrogen 3.040 N/A ARG 121.A NE GLU 55.A OE2 no hydrogen 3.095 N/A ARG 121.A NH2 GLU 55.A OE2 no hydrogen 2.364 N/A PHE 129.A N LEU 161.A O no hydrogen 2.815 N/A LEU 130.A N ARG 268.A O no hydrogen 2.839 N/A TYR 131.A N GLY 163.A O no hydrogen 3.022 N/A TYR 131.A OH SER 152.A OG no hydrogen 2.643 N/A VAL 132.A N MET 270.A O no hydrogen 2.939 N/A VAL 133.A N ILE 165.A O no hydrogen 3.068 N/A ASP 134.A N PHE 272.A O no hydrogen 2.890 N/A THR 135.A N PHE 167.A O no hydrogen 3.171 N/A THR 135.A OG1 THR 135.A O no hydrogen 2.641 N/A THR 135.A OG1 GLN 231.A O no hydrogen 2.728 N/A CYS 136.A N ASP 134.A OD1 no hydrogen 2.992 N/A CYS 136.A SG LEU 244.A O no hydrogen 3.918 N/A LEU 142.A N GLU 138.A O no hydrogen 2.878 N/A GLN 143.A N ASP 139.A O no hydrogen 2.771 N/A ALA 144.A N GLU 140.A O no hydrogen 2.989 N/A LEU 145.A N ASP 141.A O no hydrogen 2.956 N/A LYS 146.A N LEU 142.A O no hydrogen 2.929 N/A GLU 147.A N GLN 143.A O no hydrogen 3.120 N/A SER 148.A N ALA 144.A O no hydrogen 3.371 N/A SER 148.A OG ALA 144.A O no hydrogen 3.224 N/A MET 149.A N LEU 145.A O no hydrogen 3.113 N/A GLN 150.A N LYS 146.A O no hydrogen 3.001 N/A GLN 150.A NE2 THR 224.A O no hydrogen 2.324 N/A MET 151.A N GLU 147.A O no hydrogen 2.815 N/A SER 152.A N SER 148.A O no hydrogen 2.968 N/A SER 152.A OG TYR 131.A OH no hydrogen 2.643 N/A SER 152.A OG SER 148.A O no hydrogen 3.496 N/A SER 152.A OG MET 149.A O no hydrogen 2.683 N/A LEU 153.A N MET 149.A O no hydrogen 3.088 N/A SER 154.A N MET 151.A O no hydrogen 3.062 N/A SER 154.A OG MET 151.A O no hydrogen 2.551 N/A LEU 155.A N SER 152.A O no hydrogen 3.097 N/A ALA 160.A N PRO 157.A O no hydrogen 2.917 N/A LEU 161.A N LEU 127.A O no hydrogen 2.627 N/A VAL 162.A N GLN 214.A O no hydrogen 2.784 N/A GLY 163.A N PHE 129.A O no hydrogen 3.099 N/A ILE 165.A N TYR 131.A O no hydrogen 2.925 N/A THR 166.A N GLN 172.A O no hydrogen 2.965 N/A THR 166.A OG1 GLN 172.A O no hydrogen 3.380 N/A THR 166.A OG1 HIS 174.A NE2 no hydrogen 2.470 N/A PHE 167.A N VAL 133.A O no hydrogen 3.158 N/A GLY 168.A N MET 170.A O no hydrogen 2.691 N/A ARG 169.A N ASP 233.A OD2 no hydrogen 3.276 N/A VAL 171.A N PHE 187.A O no hydrogen 3.087 N/A GLN 172.A N THR 166.A O no hydrogen 2.670 N/A VAL 173.A N TYR 185.A O no hydrogen 2.735 N/A HIS 174.A N LEU 164.A O no hydrogen 3.112 N/A HIS 174.A NE2 THR 166.A OG1 no hydrogen 2.470 N/A GLU 175.A N LYS 183.A O no hydrogen 3.332 N/A LEU 176.A N ARG 211.A O no hydrogen 3.168 N/A CYS 178.A SG GLU 175.A O no hydrogen 3.273 N/A SER 184.A OG GLN 172.A OE1 no hydrogen 3.040 N/A TYR 185.A N VAL 173.A O no hydrogen 2.992 N/A PHE 187.A N VAL 171.A O no hydrogen 2.831 N/A SER 194.A N GLN 197.A OE1 no hydrogen 2.714 N/A SER 194.A OG GLN 197.A OE1 no hydrogen 2.953 N/A GLN 197.A N SER 194.A OG no hydrogen 3.404 N/A LEU 198.A N SER 194.A O no hydrogen 3.035 N/A GLN 199.A N ALA 195.A O no hydrogen 2.906 N/A GLN 199.A NE2 LEU 204.A O no hydrogen 2.437 N/A GLU 200.A N LYS 196.A O no hydrogen 3.309 N/A MET 201.A N GLN 197.A O no hydrogen 2.865 N/A LEU 202.A N LEU 198.A O no hydrogen 2.843 N/A GLY 203.A N GLU 200.A O no hydrogen 3.263 N/A LEU 204.A N GLN 199.A O no hydrogen 2.972 N/A ARG 211.A NE GLU 175.A OE2 no hydrogen 2.844 N/A ARG 211.A NH1 LEU 202.A O no hydrogen 3.253 N/A ARG 211.A NH2 LEU 202.A O no hydrogen 3.231 N/A PHE 212.A N ASN 210.A OD1 no hydrogen 2.808 N/A LEU 213.A N ASN 210.A OD1 no hydrogen 3.029 N/A GLN 214.A N VAL 162.A O no hydrogen 2.957 N/A GLN 214.A NE2 ASN 210.A O no hydrogen 2.667 N/A VAL 216.A N ALA 160.A O no hydrogen 2.840 N/A GLN 217.A N PRO 158.A O no hydrogen 3.357 N/A LYS 218.A NZ GLN 214.A OE1 no hydrogen 3.422 N/A ILE 219.A N PRO 215.A O no hydrogen 3.216 N/A THR 224.A N ASP 220.A O no hydrogen 3.334 N/A ASP 225.A N MET 221.A O no hydrogen 3.125 N/A LEU 226.A N ASN 222.A O no hydrogen 3.015 N/A LEU 227.A N LEU 223.A O no hydrogen 2.734 N/A GLY 228.A N THR 224.A O no hydrogen 3.362 N/A GLU 229.A N ASP 225.A O no hydrogen 2.796 N/A LEU 230.A N LEU 227.A O no hydrogen 3.361 N/A GLN 231.A NE2 GLU 229.A O no hydrogen 2.944 N/A ASP 233.A N THR 135.A O no hydrogen 2.821 N/A LYS 241.A NZ ASP 287.A OD2 no hydrogen 2.803 N/A ARG 242.A N ASP 287.A O no hydrogen 2.796 N/A ARG 242.A NE GLY 286.A O no hydrogen 3.342 N/A ARG 242.A NH2 THR 291.A O no hydrogen 2.734 N/A ARG 245.A N THR 278.A OG1 no hydrogen 2.612 N/A ARG 245.A NE PRO 276.A O no hydrogen 3.070 N/A ARG 245.A NH1 ASP 134.A OD2 no hydrogen 2.723 N/A ARG 245.A NH1 CYS 136.A O no hydrogen 2.342 N/A SER 246.A OG GLY 168.A O no hydrogen 2.972 N/A ALA 250.A N SER 246.A O no hydrogen 3.285 N/A LEU 251.A N SER 247.A O no hydrogen 2.863 N/A SER 252.A N GLY 248.A O no hydrogen 3.174 N/A SER 252.A OG ASP 192.A OD1 no hydrogen 2.931 N/A SER 252.A OG LEU 193.A O no hydrogen 3.043 N/A ILE 253.A N VAL 249.A O no hydrogen 3.000 N/A ALA 254.A N ALA 250.A O no hydrogen 2.852 N/A VAL 255.A N LEU 251.A O no hydrogen 2.741 N/A GLY 256.A N SER 252.A O no hydrogen 2.939 N/A LEU 257.A N ILE 253.A O no hydrogen 2.864 N/A GLU 259.A N VAL 255.A O no hydrogen 3.072 N/A CYS 260.A SG GLY 256.A O no hydrogen 3.164 N/A THR 261.A N LEU 258.A O no hydrogen 3.355 N/A THR 261.A OG1 LEU 257.A O no hydrogen 2.758 N/A PHE 262.A N LEU 258.A O no hydrogen 2.979 N/A ASN 264.A N THR 324.A O no hydrogen 2.843 N/A THR 265.A OG1 GLN 469.A OE1 no hydrogen 3.473 N/A GLY 266.A N GLN 469.A OE1 no hydrogen 3.023 N/A ARG 268.A N ILE 128.A O no hydrogen 2.882 N/A ARG 268.A NE ASP 329.A OD2 no hydrogen 2.739 N/A ARG 268.A NH2 ASP 329.A OD1 no hydrogen 2.758 N/A ARG 268.A NH2 ASP 329.A OD2 no hydrogen 2.980 N/A ILE 269.A N VAL 327.A O no hydrogen 2.709 N/A MET 270.A N LEU 130.A O no hydrogen 2.958 N/A MET 271.A N ASP 329.A O no hydrogen 3.015 N/A PHE 272.A N VAL 132.A O no hydrogen 2.768 N/A ILE 273.A N TYR 331.A O no hydrogen 2.915 N/A GLY 274.A N ASP 134.A OD2 no hydrogen 2.888 N/A THR 278.A N ARG 245.A O no hydrogen 2.603 N/A THR 278.A OG1 PRO 243.A O no hydrogen 2.663 N/A THR 278.A OG1 ARG 245.A O no hydrogen 3.452 N/A GLN 279.A N ARG 245.A O no hydrogen 2.943 N/A VAL 284.A N ALA 277.A O no hydrogen 2.724 N/A LEU 289.A N GLY 240.A O no hydrogen 3.069 N/A THR 291.A N GLU 288.A O no hydrogen 3.103 N/A ARG 294.A NH1 GLN 337.A OE1 no hydrogen 2.603 N/A ARG 294.A NH2 GLU 342.A OE1 no hydrogen 3.292 N/A ARG 294.A NH2 ASP 581.A OD1 no hydrogen 2.593 N/A TRP 296.A NE1 SER 583.A OG no hydrogen 3.159 N/A ASP 298.A N SER 295.A OG no hydrogen 2.866 N/A ILE 299.A N SER 295.A O no hydrogen 3.112 N/A ASP 300.A N TRP 296.A O no hydrogen 3.081 N/A LYS 301.A N HIS 297.A O no hydrogen 2.915 N/A LYS 301.A NZ HIS 297.A ND1 no hydrogen 3.099 N/A LYS 301.A NZ HIS 297.A O no hydrogen 3.495 N/A ASP 302.A N ILE 299.A O no hydrogen 3.104 N/A ASN 303.A N ASP 298.A O no hydrogen 2.608 N/A GLY 310.A N TYR 306.A O no hydrogen 3.168 N/A THR 311.A N VAL 307.A O no hydrogen 2.907 N/A THR 311.A OG1 VAL 307.A O no hydrogen 2.937 N/A LYS 312.A N LYS 308.A O no hydrogen 3.256 N/A HIS 313.A N LYS 309.A O no hydrogen 3.223 N/A HIS 313.A NE2 GLY 248.A O no hydrogen 2.890 N/A PHE 314.A N GLY 310.A O no hydrogen 3.250 N/A GLU 315.A N THR 311.A O no hydrogen 2.856 N/A ALA 316.A N LYS 312.A O no hydrogen 3.068 N/A LEU 317.A N HIS 313.A O no hydrogen 3.307 N/A ALA 318.A N PHE 314.A O no hydrogen 2.862 N/A ASN 319.A N GLU 315.A O no hydrogen 3.124 N/A ARG 320.A N ALA 316.A O no hydrogen 3.243 N/A ARG 320.A NE GLU 259.A OE1 no hydrogen 3.238 N/A ALA 321.A N LEU 317.A O no hydrogen 2.967 N/A ALA 322.A N ALA 318.A O no hydrogen 2.916 N/A THR 323.A N ASN 319.A O no hydrogen 3.093 N/A THR 323.A OG1 ASN 319.A O no hydrogen 2.424 N/A THR 324.A N ARG 320.A O no hydrogen 3.111 N/A THR 324.A OG1 ARG 320.A O no hydrogen 2.441 N/A GLY 325.A N ALA 322.A O no hydrogen 3.096 N/A HIS 326.A N ALA 321.A O no hydrogen 2.761 N/A VAL 327.A N ALA 267.A O no hydrogen 2.834 N/A ILE 328.A N THR 350.A OG1 no hydrogen 3.239 N/A ASP 329.A N ILE 269.A O no hydrogen 2.735 N/A ILE 330.A N TYR 353.A O no hydrogen 2.977 N/A TYR 331.A N MET 271.A O no hydrogen 2.763 N/A TYR 331.A OH ASP 329.A OD2 no hydrogen 3.411 N/A ALA 332.A N VAL 355.A O no hydrogen 2.982 N/A CYS 333.A N ILE 273.A O no hydrogen 3.086 N/A CYS 333.A SG SER 359.A O no hydrogen 3.466 N/A ALA 334.A N GLY 357.A O no hydrogen 3.191 N/A GLN 337.A N ASP 336.A OD1 no hydrogen 2.478 N/A GLN 337.A NE2 ARG 294.A O no hydrogen 3.391 N/A THR 338.A N ASP 581.A OD2 no hydrogen 2.730 N/A THR 338.A OG1 ASP 581.A OD2 no hydrogen 3.544 N/A GLY 339.A N ASP 581.A OD2 no hydrogen 2.811 N/A LEU 340.A N ASP 581.A OD2 no hydrogen 3.042 N/A LEU 341.A N ASP 581.A OD1 no hydrogen 3.113 N/A GLU 342.A N GLU 342.A OE1 no hydrogen 2.767 N/A MET 343.A N GLY 339.A O no hydrogen 3.096 N/A MET 343.A N LEU 340.A O no hydrogen 3.106 N/A LYS 344.A NZ LEU 341.A O no hydrogen 2.731 N/A CYS 346.A N MET 343.A O no hydrogen 3.183 N/A CYS 346.A SG PHE 314.A O no hydrogen 3.328 N/A ASN 348.A N LYS 344.A O no hydrogen 2.935 N/A LEU 349.A N CYS 345.A O no hydrogen 3.048 N/A THR 350.A OG1 CYS 346.A O no hydrogen 2.611 N/A TYR 353.A N ASP 329.A OD1 no hydrogen 2.905 N/A VAL 355.A N ILE 330.A O no hydrogen 3.044 N/A SER 359.A OG ASP 141.A OD1 no hydrogen 2.304 N/A ASN 361.A N SER 359.A OG no hydrogen 2.962 N/A THR 362.A OG1 SER 359.A O no hydrogen 3.487 N/A PHE 365.A N THR 362.A OG1 no hydrogen 3.087 N/A LYS 366.A N THR 362.A O no hydrogen 3.414 N/A LYS 366.A NZ ASN 361.A OD1 no hydrogen 3.525 N/A GLN 367.A N SER 363.A O no hydrogen 3.000 N/A THR 368.A N LEU 364.A O no hydrogen 3.227 N/A THR 368.A OG1 LEU 364.A O no hydrogen 2.671 N/A PHE 369.A N PHE 365.A O no hydrogen 2.770 N/A GLN 370.A N LYS 366.A O no hydrogen 3.397 N/A ARG 371.A N GLN 367.A O no hydrogen 3.252 N/A ARG 371.A NH2 LEU 679.A O no hydrogen 2.664 N/A PHE 373.A N GLN 370.A O no hydrogen 3.184 N/A THR 374.A N ARG 371.A O no hydrogen 3.082 N/A THR 374.A OG1 ARG 371.A O no hydrogen 2.893 N/A LYS 375.A NZ LEU 155.A O no hydrogen 3.374 N/A ASP 376.A N GLN 380.A O no hydrogen 2.833 N/A HIS 378.A N ASP 376.A OD1 no hydrogen 3.182 N/A GLY 379.A N ASP 376.A O no hydrogen 3.042 N/A GLN 380.A N ASP 376.A OD1 no hydrogen 2.914 N/A LYS 382.A N THR 374.A O no hydrogen 3.032 N/A LYS 382.A NZ GLU 45.A OE2 no hydrogen 3.507 N/A GLY 384.A N LEU 434.A O no hydrogen 2.752 N/A PHE 385.A N GLN 469.A O no hydrogen 3.045 N/A GLY 386.A N CYS 432.A O no hydrogen 3.060 N/A GLY 387.A N ILE 431.A O no hydrogen 2.766 N/A THR 388.A N GLN 467.A O no hydrogen 2.771 N/A LEU 389.A N TRP 429.A O no hydrogen 2.865 N/A GLU 390.A N VAL 465.A O no hydrogen 2.796 N/A ILE 391.A N CYS 427.A O no hydrogen 3.131 N/A LYS 392.A N GLN 463.A O no hydrogen 2.860 N/A LYS 392.A NZ CYS 64.A O no hydrogen 2.253 N/A THR 393.A OG1 ILE 397.A O no hydrogen 2.651 N/A SER 394.A N ALA 461.A O no hydrogen 3.072 N/A SER 394.A OG ALA 461.A O no hydrogen 3.098 N/A GLU 396.A N GLU 396.A OE1 no hydrogen 2.705 N/A ILE 397.A N SER 394.A O no hydrogen 2.839 N/A LYS 398.A N GLU 445.A O no hydrogen 2.945 N/A LYS 398.A NZ PRO 414.A O no hydrogen 2.619 N/A ILE 399.A N CYS 415.A O no hydrogen 2.552 N/A SER 400.A N TYR 443.A O no hydrogen 2.638 N/A SER 400.A OG ASN 419.A O no hydrogen 3.545 N/A ALA 402.A N THR 423.A O no hydrogen 3.102 N/A ILE 403.A N ALA 441.A O no hydrogen 2.922 N/A CYS 406.A SG GLY 404.A O no hydrogen 3.516 N/A VAL 407.A N LYS 430.A O no hydrogen 2.858 N/A LEU 409.A N GLN 428.A O no hydrogen 3.051 N/A ASN 410.A N SER 408.A OG no hydrogen 2.961 N/A SER 411.A N THR 426.A OG1 no hydrogen 2.751 N/A LYS 412.A NZ ASN 410.A OD1 no hydrogen 2.755 N/A LYS 412.A NZ GLY 425.A O no hydrogen 2.685 N/A CYS 415.A SG THR 393.A O no hydrogen 3.681 N/A CYS 415.A SG THR 393.A OG1 no hydrogen 3.384 N/A VAL 416.A N GLY 413.A O no hydrogen 3.351 N/A SER 417.A N ILE 399.A O no hydrogen 2.827 N/A SER 417.A OG ASN 419.A O no hydrogen 3.147 N/A SER 417.A OG GLU 445.A OE1 no hydrogen 2.581 N/A ASN 419.A N SER 417.A OG no hydrogen 2.897 N/A ILE 421.A N SER 400.A O no hydrogen 2.769 N/A THR 423.A N ALA 402.A O no hydrogen 2.716 N/A THR 426.A OG1 SER 411.A O no hydrogen 3.502 N/A THR 426.A OG1 GLN 428.A O no hydrogen 2.783 N/A CYS 427.A N SER 411.A O no hydrogen 2.830 N/A CYS 427.A SG SER 411.A O no hydrogen 3.332 N/A GLN 428.A N THR 426.A OG1 no hydrogen 2.879 N/A TRP 429.A N LEU 389.A O no hydrogen 2.925 N/A TRP 429.A NE1 THR 423.A O no hydrogen 2.913 N/A LYS 430.A N VAL 407.A O no hydrogen 2.677 N/A LYS 430.A NZ THR 323.A O no hydrogen 2.885 N/A ILE 431.A N GLY 387.A O no hydrogen 2.695 N/A CYS 432.A SG ALA 322.A O no hydrogen 3.477 N/A LEU 434.A N GLY 384.A O no hydrogen 3.331 N/A SER 435.A N THR 438.A OG1 no hydrogen 2.734 N/A THR 437.A N SER 435.A OG no hydrogen 3.278 N/A THR 438.A N SER 435.A O no hydrogen 3.101 N/A THR 438.A OG1 SER 435.A O no hydrogen 3.211 N/A THR 439.A N ARG 592.A O no hydrogen 3.337 N/A THR 439.A OG1 THR 41.A OG1 no hydrogen 3.058 N/A THR 439.A OG1 THR 437.A O no hydrogen 2.880 N/A LEU 440.A N PHE 40.A O no hydrogen 2.791 N/A ALA 441.A N ILE 403.A O no hydrogen 3.147 N/A ILE 442.A N ALA 38.A O no hydrogen 2.886 N/A TYR 443.A N GLY 401.A O no hydrogen 2.892 N/A TYR 443.A OH LEU 508.A O no hydrogen 2.532 N/A PHE 444.A N VAL 36.A O no hydrogen 2.832 N/A GLU 445.A N LYS 398.A O no hydrogen 2.830 N/A VAL 447.A N GLU 396.A O no hydrogen 2.713 N/A ASN 448.A ND2 SER 24.A O no hydrogen 3.217 N/A ASN 448.A ND2 SER 24.A OG no hydrogen 3.266 N/A ASN 448.A ND2 PRO 453.A O no hydrogen 3.186 N/A HIS 450.A ND1 SER 25.A OG no hydrogen 2.685 N/A ALA 452.A N GLN 449.A O no hydrogen 3.228 N/A GLY 458.A N PRO 455.A O no hydrogen 3.017 N/A GLY 460.A N ARG 484.A O no hydrogen 2.803 N/A ALA 461.A N SER 394.A OG no hydrogen 2.768 N/A ILE 462.A N ILE 482.A O no hydrogen 3.143 N/A GLN 463.A N LYS 392.A O no hydrogen 2.790 N/A GLN 463.A NE2 VAL 67.A O no hydrogen 3.111 N/A GLN 463.A NE2 THR 481.A OG1 no hydrogen 2.864 N/A PHE 464.A N THR 480.A O no hydrogen 2.810 N/A VAL 465.A N GLU 390.A O no hydrogen 2.810 N/A THR 466.A N ARG 478.A O no hydrogen 2.806 N/A GLN 467.A N THR 388.A O no hydrogen 3.015 N/A TYR 468.A N ARG 476.A O no hydrogen 2.966 N/A TYR 468.A OH GLU 116.A OE2 no hydrogen 2.262 N/A GLN 469.A N PHE 385.A O no hydrogen 2.744 N/A HIS 470.A N GLN 474.A O no hydrogen 2.751 N/A HIS 470.A ND1 SER 472.A OG no hydrogen 2.810 N/A SER 471.A OG PHE 381.A O no hydrogen 2.576 N/A SER 472.A N HIS 470.A ND1 no hydrogen 3.025 N/A SER 472.A OG HIS 470.A ND1 no hydrogen 2.810 N/A GLY 473.A N HIS 470.A O no hydrogen 2.772 N/A ARG 476.A N TYR 468.A O no hydrogen 2.997 N/A ARG 476.A NE GLN 474.A OE1 no hydrogen 3.068 N/A ARG 476.A NH2 GLN 474.A OE1 no hydrogen 3.301 N/A ILE 477.A N TYR 117.A O no hydrogen 2.887 N/A ARG 478.A N THR 466.A O no hydrogen 2.753 N/A VAL 479.A N ILE 115.A O no hydrogen 2.764 N/A THR 480.A N PHE 464.A O no hydrogen 2.914 N/A THR 480.A OG1 SER 114.A OG no hydrogen 2.839 N/A THR 481.A N SER 113.A O no hydrogen 2.980 N/A ILE 482.A N ILE 462.A O no hydrogen 2.966 N/A ARG 484.A N GLY 460.A O no hydrogen 3.036 N/A ARG 484.A NE ASN 20.A OD1 no hydrogen 3.222 N/A ARG 484.A NH1 ALA 483.A O no hydrogen 2.671 N/A TRP 486.A N GLY 458.A O no hydrogen 2.957 N/A ALA 487.A N TRP 22.A O no hydrogen 2.790 N/A ASP 488.A N GLN 492.A OE1 no hydrogen 3.128 N/A THR 491.A N ASP 488.A O no hydrogen 3.051 N/A THR 491.A OG1 ASP 488.A O no hydrogen 3.442 N/A GLN 492.A NE2 ASN 495.A OD1 no hydrogen 3.099 N/A ILE 496.A N GLN 492.A O no hydrogen 3.381 N/A ALA 497.A N ILE 493.A O no hydrogen 2.832 N/A ALA 498.A N GLN 494.A O no hydrogen 2.868 N/A SER 499.A N ILE 496.A O no hydrogen 3.049 N/A SER 499.A OG ILE 496.A O no hydrogen 2.609 N/A PHE 500.A N ALA 497.A O no hydrogen 3.383 N/A ASP 501.A N SER 18.A O no hydrogen 2.911 N/A GLN 502.A NE2 GLU 555.A O no hydrogen 3.395 N/A ALA 504.A N ASP 501.A OD1 no hydrogen 3.281 N/A ALA 505.A N ASP 501.A O no hydrogen 2.845 N/A ALA 506.A N GLN 502.A O no hydrogen 2.967 N/A ILE 507.A N GLU 503.A O no hydrogen 3.231 N/A LEU 508.A N ALA 504.A O no hydrogen 2.766 N/A MET 509.A N ALA 505.A O no hydrogen 2.734 N/A ALA 510.A N ALA 506.A O no hydrogen 2.888 N/A ARG 511.A N ILE 507.A O no hydrogen 2.934 N/A ARG 511.A NH1 ILE 403.A O no hydrogen 3.017 N/A ARG 511.A NH1 THR 439.A O no hydrogen 2.865 N/A ARG 511.A NH2 THR 439.A O no hydrogen 3.074 N/A LEU 512.A N LEU 508.A O no hydrogen 3.385 N/A ALA 513.A N MET 509.A O no hydrogen 3.041 N/A ILE 514.A N ALA 510.A O no hydrogen 2.816 N/A TYR 515.A N ARG 511.A O no hydrogen 2.930 N/A ARG 516.A N LEU 512.A O no hydrogen 2.943 N/A ALA 517.A N ALA 513.A O no hydrogen 2.933 N/A ALA 517.A N ILE 514.A O no hydrogen 3.118 N/A GLU 518.A N ILE 514.A O no hydrogen 2.742 N/A THR 519.A N TYR 515.A O no hydrogen 2.846 N/A GLY 522.A N ARG 516.A O no hydrogen 3.080 N/A LEU 529.A N VAL 525.A O no hydrogen 2.925 N/A ASP 530.A N LEU 526.A O no hydrogen 2.579 N/A ARG 531.A N ARG 527.A O no hydrogen 3.102 N/A GLN 532.A N TRP 528.A O no hydrogen 3.042 N/A LEU 533.A N LEU 529.A O no hydrogen 3.301 N/A ILE 534.A N ASP 530.A O no hydrogen 3.101 N/A ARG 535.A N ARG 531.A O no hydrogen 3.108 N/A ARG 535.A NH1 GLN 532.A OE1 no hydrogen 2.433 N/A LEU 536.A N GLN 532.A O no hydrogen 3.119 N/A CYS 537.A N LEU 533.A O no hydrogen 3.062 N/A CYS 537.A SG LEU 533.A O no hydrogen 3.239 N/A GLN 538.A N ILE 534.A O no hydrogen 2.793 N/A GLN 538.A NE2 LEU 727.A O no hydrogen 3.520 N/A LYS 539.A N ARG 535.A O no hydrogen 2.743 N/A LYS 539.A NZ GLU 28.A OE2 no hydrogen 2.813 N/A PHE 540.A N LEU 536.A O no hydrogen 2.976 N/A GLY 541.A N CYS 537.A O no hydrogen 2.833 N/A GLU 542.A N ARG 552.A O no hydrogen 3.125 N/A TYR 543.A OH GLN 538.A O no hydrogen 2.840 N/A HIS 544.A N SER 550.A OG no hydrogen 3.142 N/A ASP 546.A N VAL 729.A O no hydrogen 2.486 N/A SER 549.A OG ASP 547.A OD1 no hydrogen 2.796 N/A SER 550.A N ASP 547.A O no hydrogen 3.230 N/A SER 550.A OG HIS 544.A O no hydrogen 3.440 N/A SER 550.A OG ASP 547.A O no hydrogen 2.265 N/A PHE 551.A N PRO 548.A O no hydrogen 3.113 N/A ARG 552.A N GLU 542.A O no hydrogen 2.966 N/A SER 554.A OG THR 556.A OG1 no hydrogen 3.147 N/A THR 556.A OG1 SER 554.A OG no hydrogen 3.147 N/A PHE 557.A N SER 554.A O no hydrogen 2.898 N/A SER 558.A OG GLU 555.A O no hydrogen 3.309 N/A LEU 559.A N GLN 502.A OE1 no hydrogen 2.939 N/A TYR 560.A N PHE 557.A O no hydrogen 3.187 N/A GLN 562.A NE2 GLN 603.A OE1 no hydrogen 3.387 N/A PHE 563.A N LEU 559.A O no hydrogen 3.111 N/A MET 564.A N TYR 560.A O no hydrogen 2.987 N/A PHE 565.A N PRO 561.A O no hydrogen 2.719 N/A HIS 566.A N GLN 562.A O no hydrogen 3.199 N/A HIS 566.A ND1 GLN 603.A OE1 no hydrogen 3.191 N/A LEU 567.A N PHE 563.A O no hydrogen 2.870 N/A ARG 568.A N MET 564.A O no hydrogen 3.183 N/A ARG 568.A NE ASP 530.A OD1 no hydrogen 2.852 N/A ARG 568.A NH1 THR 712.A O no hydrogen 2.833 N/A ARG 568.A NH2 ASP 530.A OD2 no hydrogen 3.010 N/A ARG 568.A NH2 LEU 711.A O no hydrogen 3.286 N/A ARG 569.A NH2 ASP 713.A O no hydrogen 3.106 N/A SER 570.A N LEU 567.A O no hydrogen 2.917 N/A SER 570.A OG LEU 567.A O no hydrogen 2.599 N/A SER 571.A OG ASN 578.A OD1 no hydrogen 3.344 N/A LEU 573.A N SER 570.A O no hydrogen 3.298 N/A GLN 574.A N SER 570.A O no hydrogen 2.912 N/A GLN 574.A NE2 ARG 568.A O no hydrogen 3.118 N/A ASN 578.A N VAL 575.A O no hydrogen 2.902 N/A SER 579.A N GLU 582.A OE1 no hydrogen 3.067 N/A ASP 581.A N GLN 337.A OE1 no hydrogen 3.200 N/A GLU 582.A N SER 579.A OG no hydrogen 3.318 N/A SER 583.A N SER 579.A O no hydrogen 2.969 N/A SER 584.A N PRO 580.A O no hydrogen 3.125 N/A SER 584.A OG PRO 580.A O no hydrogen 2.709 N/A TYR 585.A N ASP 581.A O no hydrogen 3.034 N/A TYR 586.A N GLU 582.A O no hydrogen 2.953 N/A ARG 587.A N SER 583.A O no hydrogen 3.110 N/A ARG 587.A NE PHE 572.A O no hydrogen 2.992 N/A ARG 587.A NH2 PHE 572.A O no hydrogen 2.856 N/A HIS 588.A N SER 584.A O no hydrogen 2.978 N/A HIS 588.A ND1 ASN 348.A OD1 no hydrogen 2.582 N/A HIS 589.A N TYR 585.A O no hydrogen 3.313 N/A PHE 590.A N TYR 586.A O no hydrogen 3.048 N/A MET 591.A N ARG 587.A O no hydrogen 3.054 N/A ARG 592.A N HIS 589.A O no hydrogen 3.350 N/A ARG 592.A NH1 PRO 347.A O no hydrogen 3.531 N/A ARG 592.A NH2 GLY 351.A O no hydrogen 2.504 N/A GLN 593.A N PHE 590.A O no hydrogen 3.427 N/A ASP 594.A N GLN 593.A OE1 no hydrogen 3.380 N/A GLN 597.A N ASP 594.A OD1 no hydrogen 2.816 N/A SER 598.A N ASP 594.A O no hydrogen 3.204 N/A SER 598.A OG GLN 593.A O no hydrogen 3.549 N/A SER 598.A OG ASP 594.A O no hydrogen 2.646 N/A LEU 599.A N LEU 595.A O no hydrogen 2.979 N/A ILE 600.A N THR 596.A O no hydrogen 3.269 N/A MET 601.A N GLN 597.A O no hydrogen 3.014 N/A ILE 602.A N SER 598.A O no hydrogen 3.158 N/A GLN 603.A N LEU 599.A O no hydrogen 2.855 N/A ILE 605.A N ASP 634.A O no hydrogen 3.261 N/A TYR 607.A N LEU 632.A O no hydrogen 2.724 N/A ALA 608.A N GLU 616.A O no hydrogen 2.685 N/A TYR 609.A N ILE 630.A O no hydrogen 2.603 N/A TYR 609.A OH ASP 674.A OD2 no hydrogen 2.537 N/A GLU 616.A N ALA 608.A O no hydrogen 3.041 N/A VAL 618.A N LEU 606.A O no hydrogen 2.766 N/A ASP 621.A N LEU 619.A O no hydrogen 2.662 N/A SER 623.A N ASP 621.A OD1 no hydrogen 2.484 N/A SER 623.A OG ASP 621.A OD1 no hydrogen 2.840 N/A SER 624.A N ASP 621.A O no hydrogen 3.138 N/A SER 624.A OG LEU 619.A O no hydrogen 2.393 N/A SER 624.A OG ASP 621.A O no hydrogen 3.391 N/A ILE 625.A N SER 622.A O no hydrogen 3.073 N/A ARG 629.A NE SER 624.A O no hydrogen 3.414 N/A ARG 629.A NH2 SER 624.A O no hydrogen 3.505 N/A ILE 630.A N TYR 609.A O no hydrogen 2.843 N/A LEU 631.A N TYR 642.A O no hydrogen 2.855 N/A LEU 632.A N TYR 607.A O no hydrogen 2.747 N/A MET 633.A N LEU 640.A O no hydrogen 3.012 N/A ASP 634.A N ILE 605.A O no hydrogen 2.960 N/A THR 635.A N GLN 638.A O no hydrogen 2.926 N/A PHE 636.A N ASP 634.A OD1 no hydrogen 2.912 N/A ILE 639.A N ARG 687.A O no hydrogen 2.891 N/A LEU 640.A N MET 633.A O no hydrogen 3.074 N/A ILE 641.A N ILE 689.A O no hydrogen 2.738 N/A TYR 642.A N LEU 631.A O no hydrogen 3.035 N/A HIS 643.A ND1 THR 691.A O no hydrogen 3.056 N/A THR 646.A OG1 ALA 627.A O no hydrogen 2.698 N/A ALA 648.A N GLY 644.A O no hydrogen 3.034 N/A ALA 648.A N GLU 645.A O no hydrogen 3.129 N/A ARG 651.A N ILE 647.A O no hydrogen 3.171 N/A LYS 652.A N ALA 648.A O no hydrogen 3.420 N/A SER 653.A N GLN 649.A O no hydrogen 3.044 N/A SER 653.A OG GLN 649.A O no hydrogen 2.907 N/A SER 653.A OG TRP 650.A O no hydrogen 2.628 N/A GLY 654.A N TRP 650.A O no hydrogen 3.249 N/A TYR 655.A N TRP 650.A O no hydrogen 3.470 N/A ASP 657.A N GLY 654.A O no hydrogen 2.919 N/A MET 658.A N TYR 655.A O no hydrogen 3.041 N/A ARG 665.A NE GLN 656.A O no hydrogen 2.409 N/A HIS 666.A ND1 GLU 662.A O no hydrogen 2.643 N/A LEU 667.A N PHE 664.A O no hydrogen 3.246 N/A ALA 670.A N HIS 666.A O no hydrogen 3.100 N/A ASP 673.A N GLN 669.A O no hydrogen 2.938 N/A ASP 674.A N ALA 670.A O no hydrogen 3.074 N/A ALA 675.A N PRO 671.A O no hydrogen 2.717 N/A GLN 676.A N VAL 672.A O no hydrogen 2.859 N/A GLU 677.A N ASP 673.A O no hydrogen 3.063 N/A ILE 678.A N ASP 674.A O no hydrogen 3.297 N/A LEU 679.A N ALA 675.A O no hydrogen 2.908 N/A HIS 680.A N GLN 676.A O no hydrogen 3.163 N/A SER 681.A OG GLU 677.A O no hydrogen 2.747 N/A ARG 682.A N ILE 678.A O no hydrogen 3.332 N/A ARG 682.A NH1 ASP 634.A OD1 no hydrogen 2.638 N/A ARG 682.A NH1 PHE 636.A O no hydrogen 3.006 N/A ARG 682.A NH2 ASP 634.A OD1 no hydrogen 3.294 N/A ARG 682.A NH2 ASP 634.A OD2 no hydrogen 2.408 N/A MET 685.A N THR 368.A OG1 no hydrogen 3.390 N/A ARG 687.A N PHE 637.A O no hydrogen 3.364 N/A ILE 689.A N ILE 639.A O no hydrogen 2.898 N/A THR 691.A N ILE 641.A O no hydrogen 2.839 N/A THR 691.A OG1 GLU 692.A O no hydrogen 3.503 N/A GLU 692.A N THR 691.A OG1 no hydrogen 2.589 N/A ARG 699.A NE SER 696.A O no hydrogen 3.028 N/A SER 703.A N ARG 699.A O no hydrogen 2.811 N/A SER 703.A OG PHE 700.A O no hydrogen 2.715 N/A LYS 704.A N PHE 700.A O no hydrogen 2.995 N/A LYS 704.A N LEU 701.A O no hydrogen 3.170 N/A VAL 705.A N LEU 701.A O no hydrogen 3.232 N/A VAL 705.A N LEU 702.A O no hydrogen 3.204 N/A SER 708.A OG SER 708.A O no hydrogen 2.501 N/A THR 712.A OG1 HIS 723.A ND1 no hydrogen 3.183 N/A SER 716.A N ASP 714.A OD1 no hydrogen 2.154 N/A SER 716.A OG ASP 714.A OD1 no hydrogen 2.142 N/A GLN 718.A NE2 ASP 722.A OD2 no hydrogen 3.334 N/A PHE 720.A N SER 716.A O no hydrogen 3.172 N/A MET 721.A N LEU 717.A O no hydrogen 2.798 N/A ASP 722.A N GLN 718.A O no hydrogen 2.781 N/A HIS 723.A N VAL 719.A O no hydrogen 3.140 N/A LEU 724.A N PHE 720.A O no hydrogen 2.975 N/A LYS 725.A N MET 721.A O no hydrogen 2.803 N/A LYS 726.A N ASP 722.A O no hydrogen 3.232 N/A LEU 727.A N HIS 723.A O no hydrogen 3.172 N/A ALA 728.A N LEU 724.A O no hydrogen 2.947 N/A