Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ckc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 ASN 4.A O no hydrogen 2.673 N/A SER 8.A N ASN 4.A O no hydrogen 3.101 N/A SER 8.A OG VAL 5.A O no hydrogen 2.665 N/A SER 9.A OG TYR 14.A OH no hydrogen 3.279 N/A THR 10.A OG1 PRO 218.A O no hydrogen 2.479 N/A THR 10.A OG1 VAL 221.A O no hydrogen 2.869 N/A ILE 11.A N VAL 221.A O no hydrogen 3.052 N/A ALA 12.A N PRO 218.A O no hydrogen 2.901 N/A TYR 14.A OH SER 9.A OG no hydrogen 3.279 N/A ILE 15.A N ILE 11.A O no hydrogen 2.886 N/A ASP 16.A N ALA 12.A O no hydrogen 2.938 N/A ALA 17.A N THR 13.A O no hydrogen 3.225 N/A ALA 19.A N ILE 15.A O no hydrogen 2.917 N/A LYS 20.A N ASP 16.A O no hydrogen 2.970 N/A ASN 21.A N ALA 17.A O no hydrogen 3.299 N/A ALA 22.A N LEU 18.A O no hydrogen 2.903 N/A SER 23.A N ALA 19.A O no hydrogen 3.471 N/A SER 23.A OG ALA 19.A O no hydrogen 3.269 N/A SER 23.A OG LYS 20.A O no hydrogen 2.980 N/A GLU 24.A N LYS 20.A O no hydrogen 2.982 N/A LEU 25.A N ASN 21.A O no hydrogen 3.180 N/A GLU 26.A N GLU 24.A O no hydrogen 2.980 N/A GLU 31.A N SER 118.A O no hydrogen 2.907 N/A GLU 33.A N ARG 116.A O no hydrogen 2.825 N/A LEU 34.A N ILE 187.A O no hydrogen 3.111 N/A VAL 35.A N LEU 114.A O no hydrogen 2.739 N/A PHE 36.A N LEU 185.A O no hydrogen 2.822 N/A ILE 37.A N GLU 112.A O no hydrogen 3.112 N/A THR 43.A N PRO 40.A O no hydrogen 3.299 N/A THR 43.A OG1 PRO 40.A O no hydrogen 3.117 N/A ASN 46.A N ILE 42.A O no hydrogen 2.824 N/A ASN 46.A ND2 ILE 213.A O no hydrogen 2.541 N/A VAL 47.A N THR 43.A O no hydrogen 3.015 N/A VAL 48.A N LEU 44.A O no hydrogen 3.309 N/A ASN 49.A N THR 45.A O no hydrogen 3.240 N/A ILE 50.A N VAL 47.A O no hydrogen 3.119 N/A SER 51.A N VAL 48.A O no hydrogen 3.406 N/A SER 51.A OG VAL 48.A O no hydrogen 2.967 N/A THR 52.A N GLN 144.A O no hydrogen 2.720 N/A GLN 54.A NE2 SER 51.A OG no hydrogen 3.171 N/A GLU 55.A N LEU 142.A O no hydrogen 3.195 N/A SER 56.A OG VAL 140.A O no hydrogen 3.042 N/A SER 56.A OG ASN 141.A OD1 no hydrogen 3.267 N/A SER 56.A OG ASN 445.A O no hydrogen 2.491 N/A PHE 57.A N VAL 140.A O no hydrogen 3.065 N/A ILE 58.A N ILE 74.A O no hydrogen 2.764 N/A ARG 59.A N GLU 138.A O no hydrogen 2.841 N/A ARG 59.A NE THR 72.A O no hydrogen 3.343 N/A PHE 60.A N THR 72.A O no hydrogen 2.921 N/A THR 61.A N ARG 136.A O no hydrogen 3.153 N/A VAL 62.A N ILE 70.A O no hydrogen 2.829 N/A ASN 64.A N VAL 68.A O no hydrogen 3.153 N/A LYS 69.A N LYS 101.A O no hydrogen 2.872 N/A ILE 70.A N VAL 62.A O no hydrogen 2.934 N/A ARG 71.A N GLU 99.A O no hydrogen 2.864 N/A THR 72.A N PHE 60.A O no hydrogen 3.269 N/A ILE 74.A N ILE 58.A O no hydrogen 2.889 N/A LEU 76.A N SER 56.A O no hydrogen 3.268 N/A LYS 78.A N PRO 75.A O no hydrogen 3.041 N/A LYS 85.A N GLN 88.A OE1 no hydrogen 2.931 N/A ASN 86.A ND2 LEU 160.A O no hydrogen 3.038 N/A ASN 86.A ND2 SER 162.A O no hydrogen 3.110 N/A VAL 87.A N GLN 165.A O no hydrogen 3.269 N/A LEU 89.A N LYS 85.A O no hydrogen 3.182 N/A VAL 90.A N ASN 86.A O no hydrogen 3.419 N/A ASP 91.A N VAL 87.A O no hydrogen 3.047 N/A ALA 92.A N GLN 88.A O no hydrogen 3.219 N/A ILE 93.A N VAL 90.A O no hydrogen 3.349 N/A VAL 97.A N ASN 95.A OD1 no hydrogen 3.292 N/A TRP 98.A N HIS 123.A O no hydrogen 2.769 N/A GLU 99.A N ARG 71.A O no hydrogen 2.773 N/A LYS 100.A N GLU 121.A O no hydrogen 2.777 N/A LYS 101.A N LYS 69.A O no hydrogen 2.893 N/A LYS 101.A NZ GLU 31.A OE2 no hydrogen 3.022 N/A LYS 101.A NZ GLU 33.A OE2 no hydrogen 3.099 N/A SER 102.A N THR 119.A O no hydrogen 3.181 N/A LEU 103.A N GLY 67.A O no hydrogen 3.217 N/A VAL 104.A N LEU 117.A O no hydrogen 2.866 N/A THR 105.A N LEU 117.A O no hydrogen 3.353 N/A ASN 107.A N LEU 115.A O no hydrogen 3.162 N/A LEU 109.A N CYS 113.A O no hydrogen 3.165 N/A HIS 110.A N CYS 113.A O no hydrogen 3.184 N/A CYS 113.A N HIS 110.A O no hydrogen 3.476 N/A LEU 114.A N VAL 35.A O no hydrogen 2.956 N/A ARG 116.A N GLU 33.A O no hydrogen 2.802 N/A ARG 116.A NE GLU 106.A OE2 no hydrogen 3.038 N/A LEU 117.A N THR 105.A O no hydrogen 2.915 N/A SER 118.A N GLU 31.A O no hydrogen 2.796 N/A THR 119.A N SER 102.A O no hydrogen 2.745 N/A GLU 121.A N LYS 100.A O no hydrogen 3.242 N/A PHE 125.A N ILE 96.A O no hydrogen 3.082 N/A TYR 128.A OH ILE 93.A O no hydrogen 2.590 N/A TYR 128.A OH ASN 95.A O no hydrogen 2.754 N/A LYS 130.A NZ ASP 127.A OD2 no hydrogen 3.342 N/A TYR 131.A N TYR 128.A O no hydrogen 3.141 N/A SER 134.A N TYR 131.A O no hydrogen 2.827 N/A SER 134.A OG TYR 131.A O no hydrogen 3.171 N/A ILE 135.A N GLY 132.A O no hydrogen 3.311 N/A ARG 136.A N THR 61.A O no hydrogen 3.014 N/A LEU 137.A N GLY 161.A O no hydrogen 2.876 N/A GLU 138.A N ARG 59.A O no hydrogen 3.034 N/A LEU 139.A N TYR 158.A O no hydrogen 3.075 N/A VAL 140.A N PHE 57.A O no hydrogen 2.834 N/A ASN 141.A N LEU 156.A O no hydrogen 2.888 N/A LEU 142.A N GLU 55.A O no hydrogen 2.845 N/A ILE 143.A N PHE 154.A O no hydrogen 2.947 N/A GLN 144.A N ILE 53.A O no hydrogen 3.231 N/A GLN 144.A NE2 ASP 153.A OD1 no hydrogen 3.072 N/A ALA 145.A N ILE 152.A O no hydrogen 3.092 N/A THR 147.A N PHE 150.A O no hydrogen 2.828 N/A ASN 149.A N THR 147.A O no hydrogen 2.571 N/A ASN 149.A ND2 GLU 205.A OE1 no hydrogen 3.291 N/A THR 151.A N GLU 188.A O no hydrogen 2.784 N/A THR 151.A OG1 THR 190.A OG1 no hydrogen 2.687 N/A ILE 152.A N ALA 145.A O no hydrogen 2.936 N/A ASP 153.A N GLU 186.A O no hydrogen 2.871 N/A PHE 154.A N ILE 143.A O no hydrogen 2.817 N/A LYS 155.A N SER 184.A O no hydrogen 2.808 N/A LYS 155.A NZ GLU 186.A OE1 no hydrogen 3.170 N/A LYS 155.A NZ GLU 186.A OE2 no hydrogen 3.140 N/A LEU 156.A N ASN 141.A O no hydrogen 2.987 N/A LYS 157.A N ASN 182.A O no hydrogen 3.118 N/A TYR 158.A N LEU 139.A O no hydrogen 2.998 N/A LEU 160.A N LEU 137.A O no hydrogen 3.078 N/A GLY 163.A N ILE 135.A O no hydrogen 3.043 N/A ALA 164.A N SER 162.A OG no hydrogen 3.350 N/A GLN 165.A N SER 162.A O no hydrogen 3.156 N/A SER 169.A N LYS 167.A O no hydrogen 2.736 N/A SER 169.A OG ASN 86.A OD1 no hydrogen 3.426 N/A SER 169.A OG LYS 167.A O no hydrogen 3.133 N/A LEU 171.A N SER 168.A O no hydrogen 3.233 N/A ALA 173.A N SER 169.A O no hydrogen 3.277 N/A ASN 175.A N LEU 171.A O no hydrogen 2.953 N/A ASN 175.A ND2 PHE 397.A O no hydrogen 3.492 N/A HIS 176.A N HIS 172.A O no hydrogen 2.799 N/A SER 179.A OG ALA 173.A O no hydrogen 2.576 N/A SER 179.A OG HIS 176.A O no hydrogen 2.965 N/A ARG 180.A NH1 TYR 490.A O no hydrogen 2.481 N/A ARG 180.A NH1 TYR 496.A O no hydrogen 3.519 N/A SER 184.A N LYS 155.A O no hydrogen 3.155 N/A LEU 185.A N PHE 36.A O no hydrogen 3.195 N/A GLU 186.A N ASP 153.A O no hydrogen 2.870 N/A ILE 187.A N LEU 34.A O no hydrogen 3.021 N/A GLU 188.A N THR 151.A O no hydrogen 2.769 N/A PHE 189.A N LEU 32.A O no hydrogen 3.257 N/A THR 190.A N ASN 149.A O no hydrogen 2.885 N/A THR 190.A OG1 THR 151.A OG1 no hydrogen 2.687 N/A THR 190.A OG1 GLU 188.A O no hydrogen 3.187 N/A ASN 194.A N ASP 193.A OD1 no hydrogen 2.710 N/A VAL 197.A N GLU 26.A OE1 no hydrogen 3.274 N/A LEU 202.A N PRO 198.A O no hydrogen 3.173 N/A ILE 203.A N TYR 199.A O no hydrogen 2.908 N/A LYS 204.A N ASP 200.A O no hydrogen 3.191 N/A GLU 205.A N GLU 201.A O no hydrogen 2.888 N/A LEU 206.A N LEU 202.A O no hydrogen 2.743 N/A THR 207.A N ILE 203.A O no hydrogen 2.892 N/A THR 207.A OG1 ILE 203.A O no hydrogen 2.715 N/A THR 208.A N LYS 204.A O no hydrogen 3.252 N/A THR 208.A OG1 LYS 204.A O no hydrogen 3.170 N/A LEU 209.A N GLU 205.A O no hydrogen 3.046 N/A SER 210.A N LEU 206.A O no hydrogen 2.827 N/A SER 210.A OG LEU 206.A O no hydrogen 3.194 N/A HIS 212.A N LEU 209.A O no hydrogen 3.281 N/A PHE 214.A N SER 210.A O no hydrogen 2.941 N/A ASN 220.A N SER 217.A O no hydrogen 2.796 N/A ILE 222.A N ILE 279.A O no hydrogen 2.860 N/A SER 224.A OG PRO 225.A O no hydrogen 2.769 N/A PHE 234.A N ASP 380.A O no hydrogen 3.235 N/A LEU 236.A N LYS 382.A O no hydrogen 3.342 N/A LYS 238.A N ASP 510.A OD1 no hydrogen 2.831 N/A LYS 238.A NZ ASP 510.A O no hydrogen 2.723 N/A LYS 238.A NZ ASP 510.A OD2 no hydrogen 3.061 N/A LYS 238.A NZ ILE 513.A O no hydrogen 2.709 N/A ASP 240.A N PRO 237.A O no hydrogen 2.790 N/A ILE 241.A N LYS 238.A O no hydrogen 2.932 N/A LEU 249.A N LEU 246.A O no hydrogen 3.200 N/A TYR 250.A N PHE 370.A O no hydrogen 2.872 N/A ALA 251.A N GLU 343.A O no hydrogen 3.462 N/A VAL 252.A N ILE 368.A O no hydrogen 3.079 N/A LYS 254.A N GLY 366.A O no hydrogen 3.052 N/A THR 255.A N GLU 297.A OE1 no hydrogen 3.209 N/A THR 255.A OG1 GLU 297.A OE1 no hydrogen 2.404 N/A ILE 258.A N ALA 298.A O no hydrogen 3.028 N/A ILE 260.A N GLY 296.A O no hydrogen 2.809 N/A THR 261.A N TYR 272.A O no hydrogen 3.182 N/A ILE 262.A N VAL 294.A O no hydrogen 2.743 N/A ARG 263.A N TYR 270.A O no hydrogen 2.860 N/A ARG 263.A NE GLU 291.A OE1 no hydrogen 3.037 N/A ARG 263.A NH2 GLU 313.A OE2 no hydrogen 2.662 N/A VAL 264.A N VAL 292.A O no hydrogen 2.641 N/A THR 265.A OG1 ARG 263.A O no hydrogen 3.368 N/A LEU 269.A N TYR 282.A O no hydrogen 2.852 N/A TYR 270.A N ARG 263.A O no hydrogen 3.132 N/A TYR 270.A OH ASN 267.A O no hydrogen 3.245 N/A CYS 271.A N ILE 280.A O no hydrogen 3.358 N/A CYS 271.A SG LEU 269.A O no hydrogen 3.642 N/A CYS 271.A SG ILE 280.A O no hydrogen 3.263 N/A TYR 272.A N THR 261.A O no hydrogen 2.667 N/A THR 274.A N PRO 259.A O no hydrogen 3.393 N/A THR 274.A OG1 PRO 259.A O no hydrogen 2.687 N/A GLY 277.A N PHE 273.A O no hydrogen 3.184 N/A TYR 278.A OH PHE 214.A O no hydrogen 2.729 N/A ILE 279.A N ILE 222.A O no hydrogen 2.832 N/A ILE 280.A N CYS 271.A O no hydrogen 3.227 N/A ARG 281.A N ASN 220.A O no hydrogen 2.770 N/A ARG 281.A NH1 ASN 220.A OD1 no hydrogen 2.663 N/A TYR 282.A N LEU 269.A O no hydrogen 3.242 N/A LYS 285.A N ILE 331.A O no hydrogen 2.618 N/A ARG 286.A NH1 VAL 329.A O no hydrogen 3.041 N/A ARG 286.A NH2 LYS 327.A O no hydrogen 2.985 N/A VAL 293.A N ILE 312.A O no hydrogen 3.153 N/A VAL 294.A N ILE 262.A O no hydrogen 2.861 N/A PHE 295.A N LYS 310.A O no hydrogen 3.057 N/A GLY 296.A N ILE 260.A O no hydrogen 3.083 N/A GLU 297.A N TYR 307.A O no hydrogen 3.023 N/A ALA 298.A N ILE 258.A O no hydrogen 2.788 N/A VAL 299.A N THR 305.A O no hydrogen 2.809 N/A LYS 300.A N GLU 457.A O no hydrogen 3.011 N/A ASP 301.A N ASN 303.A O no hydrogen 3.169 N/A ASN 303.A N ASP 301.A O no hydrogen 2.609 N/A TRP 304.A N ARG 334.A O no hydrogen 2.567 N/A THR 305.A N VAL 299.A O no hydrogen 2.739 N/A VAL 306.A N VAL 336.A O no hydrogen 2.752 N/A TYR 307.A N GLU 297.A O no hydrogen 2.693 N/A LEU 308.A N LYS 338.A O no hydrogen 2.931 N/A ILE 309.A N PHE 295.A O no hydrogen 2.925 N/A LYS 310.A N PHE 295.A O no hydrogen 3.228 N/A ILE 312.A N VAL 293.A O no hydrogen 2.789 N/A ARG 317.A N SER 372.A O no hydrogen 2.941 N/A ARG 317.A NH1 SER 377.A O no hydrogen 2.887 N/A ARG 317.A NH1 ASP 380.A OD1 no hydrogen 2.900 N/A ARG 317.A NH2 ASP 380.A OD1 no hydrogen 3.308 N/A ARG 317.A NH2 ASP 380.A OD2 no hydrogen 3.540 N/A LEU 318.A N ASP 316.A OD1 no hydrogen 3.255 N/A GLU 320.A N ASP 316.A O no hydrogen 2.984 N/A LYS 322.A N LEU 318.A O no hydrogen 3.149 N/A TYR 323.A N GLU 319.A O no hydrogen 3.141 N/A VAL 324.A N GLU 320.A O no hydrogen 3.369 N/A GLU 325.A N SER 321.A O no hydrogen 3.179 N/A SER 326.A N LYS 322.A O no hydrogen 3.385 N/A SER 326.A OG LYS 322.A O no hydrogen 3.473 N/A SER 326.A OG TYR 323.A O no hydrogen 3.057 N/A LYS 327.A N TYR 323.A O no hydrogen 3.273 N/A LYS 327.A NZ TYR 323.A OH no hydrogen 3.452 N/A LEU 328.A N VAL 324.A O no hydrogen 2.862 N/A LEU 328.A N GLU 325.A O no hydrogen 3.159 N/A CYS 332.A SG PRO 283.A O no hydrogen 3.915 N/A VAL 336.A N TRP 304.A O no hydrogen 2.901 N/A LYS 338.A N VAL 306.A O no hydrogen 3.057 N/A SER 339.A N GLU 325.A OE1 no hydrogen 3.111 N/A SER 339.A OG GLU 325.A OE1 no hydrogen 2.686 N/A LYS 340.A NZ THR 253.A O no hydrogen 2.896 N/A LYS 340.A NZ GLU 297.A OE1 no hydrogen 2.820 N/A LYS 340.A NZ GLU 297.A OE2 no hydrogen 3.376 N/A GLU 343.A N ALA 251.A O no hydrogen 2.875 N/A THR 347.A N GLU 351.A OE1 no hydrogen 2.936 N/A THR 347.A OG1 GLU 351.A OE1 no hydrogen 3.568 N/A THR 349.A OG1 VAL 242.A O no hydrogen 3.252 N/A GLU 351.A N THR 348.A O no hydrogen 3.236 N/A GLU 351.A N THR 348.A OG1 no hydrogen 3.064 N/A VAL 353.A N THR 349.A O no hydrogen 3.060 N/A ASP 354.A N SER 350.A O no hydrogen 3.001 N/A MET 355.A N GLU 351.A O no hydrogen 3.138 N/A LEU 356.A N VAL 352.A O no hydrogen 2.864 N/A SER 357.A N VAL 353.A O no hydrogen 2.724 N/A SER 357.A OG VAL 353.A O no hydrogen 3.364 N/A SER 357.A OG ASP 354.A O no hydrogen 2.759 N/A THR 358.A N ASP 354.A O no hydrogen 2.829 N/A THR 358.A OG1 ASP 354.A O no hydrogen 2.744 N/A TYR 359.A N MET 355.A O no hydrogen 3.000 N/A LEU 360.A N LEU 356.A O no hydrogen 2.927 N/A GLN 363.A N TYR 359.A O no hydrogen 3.089 N/A GLY 366.A N GLN 363.A O no hydrogen 3.216 N/A VAL 367.A N ILE 383.A O no hydrogen 2.937 N/A ILE 368.A N VAL 252.A O no hydrogen 2.923 N/A LEU 369.A N PHE 381.A O no hydrogen 2.656 N/A PHE 370.A N TYR 250.A O no hydrogen 2.907 N/A TYR 371.A OH ASP 245.A O no hydrogen 2.736 N/A SER 372.A N ASN 248.A O no hydrogen 3.156 N/A SER 377.A N GLY 374.A O no hydrogen 2.996 N/A SER 377.A OG LYS 373.A O no hydrogen 3.451 N/A SER 377.A OG GLY 374.A O no hydrogen 2.794 N/A ASP 380.A N LYS 232.A O no hydrogen 3.330 N/A PHE 381.A N LEU 369.A O no hydrogen 2.901 N/A LYS 382.A N PHE 234.A O no hydrogen 2.924 N/A ILE 383.A N VAL 367.A O no hydrogen 2.793 N/A LYS 384.A NZ THR 388.A OG1 no hydrogen 3.373 N/A ASN 387.A N GLN 511.A OE1 no hydrogen 3.031 N/A ASN 387.A ND2 HIS 507.A O no hydrogen 2.916 N/A ASN 387.A ND2 ASP 510.A OD2 no hydrogen 2.953 N/A ILE 389.A N PHE 473.A O no hydrogen 2.922 N/A ASP 390.A N ASN 499.A OD1 no hydrogen 2.674 N/A GLN 391.A N ALA 471.A O no hydrogen 3.181 N/A THR 392.A N PHE 419.A O no hydrogen 3.083 N/A THR 392.A OG1 PHE 419.A O no hydrogen 3.492 N/A ALA 393.A N PHE 469.A O no hydrogen 2.861 N/A ASN 394.A N LYS 417.A O no hydrogen 3.022 N/A ASN 394.A ND2 ILE 174.A O no hydrogen 2.795 N/A ASN 394.A ND2 VAL 395.A O no hydrogen 3.111 N/A VAL 395.A N ILE 467.A O no hydrogen 3.469 N/A VAL 396.A N GLU 415.A O no hydrogen 2.872 N/A PHE 397.A N ASN 175.A OD1 no hydrogen 3.050 N/A SER 401.A OG GLU 403.A O no hydrogen 3.239 N/A ILE 406.A N PHE 413.A O no hydrogen 2.775 N/A GLY 408.A N SER 411.A O no hydrogen 2.760 N/A PHE 413.A N ILE 406.A O no hydrogen 2.976 N/A VAL 414.A N ILE 434.A O no hydrogen 3.280 N/A TYR 416.A N GLY 432.A O no hydrogen 3.087 N/A LYS 417.A N ASN 394.A O no hydrogen 2.983 N/A LYS 418.A N GLY 430.A O no hydrogen 3.165 N/A PHE 419.A N THR 392.A O no hydrogen 2.762 N/A SER 420.A N LYS 427.A O no hydrogen 3.171 N/A SER 420.A OG PHE 419.A O no hydrogen 2.923 N/A ASN 421.A ND2 ASP 495.A O no hydrogen 3.450 N/A ASP 422.A N PHE 425.A O no hydrogen 2.966 N/A GLY 424.A N ASN 421.A OD1 no hydrogen 2.770 N/A LYS 427.A N SER 420.A O no hydrogen 2.701 N/A TYR 429.A N LYS 418.A O no hydrogen 3.165 N/A GLY 432.A N TYR 416.A O no hydrogen 2.851 N/A ILE 434.A N VAL 414.A O no hydrogen 2.909 N/A LEU 436.A N ILE 412.A O no hydrogen 2.949 N/A TYR 437.A N VAL 440.A O no hydrogen 2.687 N/A ASN 441.A N GLU 450.A O no hydrogen 3.058 N/A TYR 442.A OH GLU 403.A OE2 no hydrogen 3.356 N/A LEU 443.A N CYS 448.A O no hydrogen 2.753 N/A TYR 447.A OH SER 402.A O no hydrogen 3.378 N/A CYS 448.A SG ILE 446.A O no hydrogen 3.236 N/A CYS 448.A SG TYR 447.A O no hydrogen 3.273 N/A LEU 449.A N VAL 465.A O no hydrogen 2.849 N/A GLU 450.A N ASN 441.A O no hydrogen 2.838 N/A TYR 451.A N VAL 463.A O no hydrogen 2.899 N/A ASN 453.A N LYS 461.A O no hydrogen 2.694 N/A THR 454.A OG1 HIS 455.A ND1 no hydrogen 2.680 N/A HIS 455.A ND1 THR 454.A OG1 no hydrogen 2.680 N/A ASN 456.A ND2 ASN 453.A OD1 no hydrogen 2.952 N/A GLU 457.A N GLU 457.A OE1 no hydrogen 3.000 N/A VAL 458.A N HIS 455.A O no hydrogen 2.838 N/A GLY 459.A N ASN 456.A O no hydrogen 3.184 N/A SER 462.A OG GLU 450.A OE2 no hydrogen 3.356 N/A VAL 463.A N TYR 451.A O no hydrogen 2.922 N/A VAL 464.A N THR 45.A OG1 no hydrogen 2.764 N/A VAL 465.A N LEU 449.A O no hydrogen 2.952 N/A ILE 467.A N TYR 447.A O no hydrogen 3.326 N/A LYS 468.A NZ ALA 173.A O no hydrogen 2.735 N/A LYS 468.A NZ ILE 174.A O no hydrogen 3.069 N/A LYS 468.A NZ SER 179.A O no hydrogen 3.210 N/A LYS 468.A NZ ASN 394.A OD1 no hydrogen 2.816 N/A PHE 469.A N ALA 393.A O no hydrogen 3.167 N/A ILE 470.A N THR 487.A OG1 no hydrogen 3.370 N/A ALA 471.A N GLN 391.A O no hydrogen 3.064 N/A GLU 472.A N LYS 481.A O no hydrogen 2.670 N/A PHE 473.A N ILE 389.A O no hydrogen 2.772 N/A LEU 474.A N GLU 478.A O no hydrogen 2.779 N/A ASN 476.A ND2 GLU 478.A OE2 no hydrogen 2.772 N/A GLY 477.A N LEU 474.A O no hydrogen 2.941 N/A GLU 478.A N ASN 476.A OD1 no hydrogen 3.447 N/A LEU 480.A N GLU 472.A O no hydrogen 2.766 N/A ARG 483.A N ILE 470.A O no hydrogen 2.888 N/A ARG 483.A NE GLU 472.A OE1 no hydrogen 2.740 N/A ARG 483.A NH2 GLU 472.A OE1 no hydrogen 2.702 N/A LYS 486.A NZ ASP 390.A OD2 no hydrogen 2.720 N/A THR 487.A N ARG 483.A O no hydrogen 3.186 N/A THR 487.A OG1 ILE 470.A O no hydrogen 3.371 N/A THR 487.A OG1 ARG 483.A O no hydrogen 2.282 N/A MET 488.A N ILE 484.A O no hydrogen 2.943 N/A LYS 489.A N ASP 485.A O no hydrogen 3.056 N/A TYR 490.A N LYS 486.A O no hydrogen 2.722 N/A TYR 490.A OH PRO 177.A O no hydrogen 2.475 N/A ILE 491.A N THR 487.A O no hydrogen 2.841 N/A ASN 492.A N MET 488.A O no hydrogen 2.714 N/A SER 493.A N LYS 489.A O no hydrogen 2.808 N/A ASP 495.A N SER 493.A OG no hydrogen 2.845 N/A ASN 499.A N ASP 390.A O no hydrogen 2.888 N/A ASN 502.A ND2 PHE 522.A O no hydrogen 3.214 N/A ILE 504.A N GLN 500.A O no hydrogen 3.251 N/A VAL 505.A N HIS 501.A O no hydrogen 3.153 N/A HIS 507.A N ILE 503.A O no hydrogen 3.287 N/A HIS 507.A ND1 ILE 503.A O no hydrogen 2.712 N/A LEU 508.A N ILE 504.A O no hydrogen 3.148 N/A ARG 509.A N VAL 505.A O no hydrogen 3.241 N/A ASP 510.A N GLU 506.A O no hydrogen 2.924 N/A GLN 511.A NE2 LYS 385.A O no hydrogen 3.357 N/A SER 512.A N ARG 509.A O no hydrogen 2.854 N/A SER 512.A OG ARG 509.A O no hydrogen 3.402 N/A ILE 513.A N ASP 510.A O no hydrogen 3.038 N/A ASP 517.A N LYS 514.A O no hydrogen 2.913 N/A LYS 521.A NZ ASP 240.A OD1 no hydrogen 3.391 N/A ASN 525.A ND2 THR 737.A O no hydrogen 2.821 N/A TYR 530.A N ASP 597.A OD2 no hydrogen 2.939 N/A TYR 530.A OH TYR 658.A OH no hydrogen 2.876 N/A ARG 535.A NH2 ASN 533.A O no hydrogen 3.047 N/A ILE 542.A N GLY 538.A O no hydrogen 3.155 N/A LEU 543.A N PRO 539.A O no hydrogen 3.161 N/A SER 544.A N LEU 540.A O no hydrogen 3.076 N/A SER 544.A OG LEU 540.A O no hydrogen 2.756 N/A ASN 545.A N GLY 541.A O no hydrogen 2.757 N/A TYR 546.A N ILE 542.A O no hydrogen 2.964 N/A TYR 546.A OH SER 770.A OG no hydrogen 3.022 N/A VAL 547.A N LEU 543.A O no hydrogen 2.841 N/A LYS 548.A N SER 544.A O no hydrogen 3.102 N/A LYS 548.A NZ ASP 579.A OD1 no hydrogen 2.870 N/A LYS 548.A NZ ASP 579.A OD2 no hydrogen 3.181 N/A THR 549.A N ASN 545.A O no hydrogen 2.686 N/A THR 549.A OG1 ASN 545.A O no hydrogen 2.777 N/A LEU 550.A N TYR 546.A O no hydrogen 2.967 N/A LEU 551.A N VAL 547.A O no hydrogen 2.991 N/A ILE 552.A N LYS 548.A O no hydrogen 2.827 N/A SER 553.A N THR 549.A O no hydrogen 3.128 N/A SER 553.A OG THR 549.A O no hydrogen 2.499 N/A SER 553.A OG LEU 550.A O no hydrogen 3.549 N/A MET 554.A N LEU 550.A O no hydrogen 3.162 N/A TYR 555.A N LEU 551.A O no hydrogen 3.276 N/A TYR 555.A OH ASP 759.A OD2 no hydrogen 2.772 N/A CYS 556.A SG ILE 552.A O no hydrogen 3.371 N/A ASN 565.A N ASP 563.A OD1 no hydrogen 2.882 N/A ASN 565.A ND2 ASP 563.A OD1 no hydrogen 3.424 N/A ARG 567.A NE ASN 565.A O no hydrogen 2.930 N/A ARG 567.A NH2 SER 557.A O no hydrogen 2.712 N/A ARG 567.A NH2 ASP 563.A O no hydrogen 2.564 N/A LYS 568.A N ASN 648.A OD1 no hydrogen 2.515 N/A VAL 569.A N LEU 590.A O no hydrogen 3.125 N/A LEU 570.A N ILE 649.A O no hydrogen 3.043 N/A ALA 571.A N VAL 592.A O no hydrogen 2.889 N/A ILE 572.A N ASP 651.A O no hydrogen 2.614 N/A PHE 574.A N THR 594.A O no hydrogen 2.788 N/A GLY 575.A N ASP 595.A OD2 no hydrogen 3.014 N/A LEU 580.A N GLY 577.A O no hydrogen 3.317 N/A LYS 582.A NZ ASN 545.A OD1 no hydrogen 3.400 N/A LYS 582.A NZ ALA 578.A O no hydrogen 3.132 N/A TYR 583.A N ASP 579.A O no hydrogen 3.336 N/A TYR 583.A OH ASP 651.A OD2 no hydrogen 2.835 N/A PHE 584.A N LEU 580.A O no hydrogen 3.098 N/A TYR 585.A N GLU 581.A O no hydrogen 3.260 N/A GLY 586.A N LYS 582.A O no hydrogen 3.008 N/A GLY 586.A N TYR 583.A O no hydrogen 3.266 N/A GLU 587.A N PHE 584.A O no hydrogen 3.189 N/A ALA 589.A N ARG 567.A O no hydrogen 2.925 N/A LEU 591.A N LYS 621.A O no hydrogen 2.724 N/A VAL 592.A N VAL 569.A O no hydrogen 2.966 N/A ALA 593.A N ASP 623.A O no hydrogen 2.879 N/A THR 594.A N ALA 571.A O no hydrogen 2.821 N/A ASP 595.A N ILE 625.A O no hydrogen 3.412 N/A ASP 597.A N ASP 595.A OD1 no hydrogen 2.745 N/A ASP 599.A N ASP 597.A OD1 no hydrogen 2.903 N/A ALA 600.A N ASP 597.A OD1 no hydrogen 3.481 N/A ILE 601.A N ASP 597.A O no hydrogen 3.339 N/A ALA 602.A N ALA 598.A O no hydrogen 3.203 N/A ARG 603.A N ASP 599.A O no hydrogen 3.125 N/A ARG 603.A NH1 ASN 576.A OD1 no hydrogen 2.482 N/A GLY 604.A N ALA 600.A O no hydrogen 2.959 N/A ASN 605.A N ILE 601.A O no hydrogen 3.096 N/A GLU 606.A N ALA 602.A O no hydrogen 3.420 N/A ARG 607.A N ARG 603.A O no hydrogen 2.842 N/A ARG 607.A NE GLY 577.A O no hydrogen 3.432 N/A TYR 608.A N GLY 604.A O no hydrogen 3.081 N/A TYR 608.A OH TYR 620.A O no hydrogen 2.746 N/A ASN 609.A N ASN 605.A O no hydrogen 2.899 N/A LYS 610.A N ARG 607.A O no hydrogen 3.107 N/A LEU 611.A N ARG 607.A O no hydrogen 2.762 N/A ASN 612.A N TYR 608.A O no hydrogen 3.063 N/A SER 613.A OG LYS 610.A O no hydrogen 2.657 N/A TYR 620.A OH LEU 580.A O no hydrogen 2.823 N/A ASP 623.A N LEU 591.A O no hydrogen 3.084 N/A TYR 624.A OH GLY 575.A O no hydrogen 2.623 N/A ILE 625.A N ALA 593.A O no hydrogen 3.026 N/A GLN 626.A NE2 PRO 596.A O no hydrogen 2.889 N/A GLU 627.A N ASP 595.A O no hydrogen 3.366 N/A ARG 630.A NE TYR 658.A O no hydrogen 3.190 N/A ARG 630.A NE SER 659.A OG no hydrogen 2.907 N/A ARG 630.A NH1 ASP 520.A OD1 no hydrogen 2.722 N/A ARG 630.A NH2 TYR 658.A O no hydrogen 3.235 N/A ARG 630.A NH2 SER 659.A OG no hydrogen 2.873 N/A SER 631.A N THR 628.A O no hydrogen 3.042 N/A SER 631.A OG THR 633.A OG1 no hydrogen 2.446 N/A THR 633.A N SER 631.A OG no hydrogen 3.200 N/A THR 633.A OG1 GLU 627.A OE1 no hydrogen 3.131 N/A THR 633.A OG1 GLU 627.A OE2 no hydrogen 2.779 N/A THR 633.A OG1 SER 631.A OG no hydrogen 2.446 N/A SER 636.A OG THR 633.A O no hydrogen 2.799 N/A SER 637.A N THR 633.A O no hydrogen 2.883 N/A SER 637.A OG GLU 627.A OE2 no hydrogen 2.710 N/A SER 637.A OG THR 633.A O no hydrogen 3.493 N/A VAL 638.A N PHE 634.A O no hydrogen 3.072 N/A ARG 639.A N VAL 635.A O no hydrogen 2.898 N/A ARG 639.A NH2 GLY 645.A O no hydrogen 2.850 N/A VAL 641.A N VAL 638.A O no hydrogen 2.847 N/A PHE 647.A N LEU 675.A O no hydrogen 2.865 N/A ASN 648.A N LYS 568.A O no hydrogen 2.951 N/A ILE 649.A N LYS 568.A O no hydrogen 3.264 N/A ILE 650.A N LYS 681.A O no hydrogen 2.863 N/A ASP 651.A N LEU 570.A O no hydrogen 2.699 N/A TRP 652.A N LEU 683.A O no hydrogen 2.997 N/A TRP 652.A NE1 ASP 573.A OD2 no hydrogen 3.251 N/A GLN 653.A NE2 ASP 651.A OD2 no hydrogen 2.962 N/A PHE 654.A N THR 685.A O no hydrogen 2.737 N/A PHE 654.A N THR 685.A OG1 no hydrogen 3.046 N/A HIS 657.A ND1 THR 686.A OG1 no hydrogen 2.983 N/A TYR 658.A N ALA 655.A O no hydrogen 2.787 N/A TYR 658.A OH TYR 530.A OH no hydrogen 2.876 N/A SER 659.A N ILE 656.A O no hydrogen 3.226 N/A PHE 660.A N ILE 656.A O no hydrogen 2.740 N/A HIS 661.A NE2 ASP 722.A OD2 no hydrogen 2.949 N/A ARG 663.A N HIS 661.A ND1 no hydrogen 3.416 N/A HIS 664.A N HIS 661.A O no hydrogen 2.674 N/A TYR 665.A N PRO 662.A O no hydrogen 3.205 N/A THR 667.A OG1 ASP 632.A OD1 no hydrogen 3.501 N/A VAL 668.A N HIS 664.A O no hydrogen 2.835 N/A MET 669.A N TYR 665.A O no hydrogen 2.738 N/A ASN 670.A N ALA 666.A O no hydrogen 2.919 N/A ASN 670.A ND2 ALA 666.A O no hydrogen 3.522 N/A ASN 671.A N THR 667.A O no hydrogen 3.112 N/A ASN 671.A ND2 ILE 629.A O no hydrogen 2.596 N/A ASN 671.A ND2 SER 631.A O no hydrogen 2.998 N/A LEU 672.A N VAL 668.A O no hydrogen 3.122 N/A SER 673.A N MET 669.A O no hydrogen 3.131 N/A GLU 674.A N ASN 670.A O no hydrogen 2.898 N/A LEU 675.A N LEU 672.A O no hydrogen 2.992 N/A THR 676.A N LEU 672.A O no hydrogen 2.863 N/A THR 676.A OG1 LEU 672.A O no hydrogen 3.057 N/A ALA 677.A N PHE 647.A O no hydrogen 2.705 N/A GLY 679.A N LYS 818.A O no hydrogen 2.783 N/A GLY 680.A N ALA 677.A O no hydrogen 2.715 N/A LYS 681.A N ASN 648.A O no hydrogen 2.808 N/A LYS 681.A NZ GLY 679.A O no hydrogen 3.425 N/A LYS 681.A NZ SER 817.A OG no hydrogen 2.833 N/A VAL 682.A N PHE 816.A O no hydrogen 2.680 N/A LEU 683.A N ILE 650.A O no hydrogen 2.734 N/A ILE 684.A N TYR 814.A O no hydrogen 2.897 N/A THR 685.A N TRP 652.A O no hydrogen 3.428 N/A THR 685.A OG1 GLN 653.A OE1 no hydrogen 2.783 N/A THR 686.A N VAL 812.A O no hydrogen 3.396 N/A THR 686.A OG1 HIS 657.A ND1 no hydrogen 2.983 N/A MET 687.A N THR 686.A OG1 no hydrogen 2.708 N/A ASP 688.A N TYR 810.A O no hydrogen 2.745 N/A LYS 691.A N ASP 688.A OD1 no hydrogen 3.279 N/A LEU 692.A N ASP 688.A O no hydrogen 2.960 N/A SER 693.A N GLY 689.A O no hydrogen 2.662 N/A SER 693.A OG ASP 690.A O no hydrogen 2.980 N/A LYS 694.A N LYS 691.A O no hydrogen 3.199 N/A LEU 695.A N LEU 692.A O no hydrogen 3.151 N/A LYS 699.A N VAL 716.A O no hydrogen 2.775 N/A PHE 701.A N MET 714.A O no hydrogen 2.868 N/A ILE 703.A N ASN 712.A O no hydrogen 3.196 N/A GLU 711.A N PRO 708.A O no hydrogen 2.942 N/A MET 714.A N PHE 701.A O no hydrogen 2.902 N/A SER 715.A N TYR 727.A O no hydrogen 3.096 N/A SER 715.A OG TYR 727.A O no hydrogen 3.476 N/A VAL 716.A N LYS 699.A O no hydrogen 2.815 N/A GLU 717.A N VAL 725.A O no hydrogen 3.154 N/A LYS 718.A NZ SER 693.A O no hydrogen 2.921 N/A ILE 719.A N ARG 723.A O no hydrogen 3.139 N/A ALA 720.A N ARG 723.A O no hydrogen 3.403 N/A ARG 723.A N ALA 720.A O no hydrogen 3.351 N/A ARG 723.A NH1 ASN 502.A OD1 no hydrogen 3.385 N/A ARG 723.A NH2 ASN 502.A OD1 no hydrogen 3.064 N/A ILE 724.A N GLU 738.A O no hydrogen 2.870 N/A VAL 725.A N GLU 717.A O no hydrogen 2.890 N/A VAL 726.A N MET 736.A O no hydrogen 2.752 N/A TYR 727.A N SER 715.A O no hydrogen 3.278 N/A SER 730.A N ASN 728.A OD1 no hydrogen 3.294 N/A SER 730.A OG ASN 728.A OD1 no hydrogen 2.515 N/A THR 731.A N ASN 728.A O no hydrogen 2.844 N/A THR 731.A OG1 ASN 728.A O no hydrogen 3.569 N/A MET 732.A N ASN 728.A O no hydrogen 2.773 N/A SER 733.A OG SER 529.A O no hydrogen 2.665 N/A SER 733.A OG TYR 530.A O no hydrogen 3.070 N/A MET 736.A N VAL 726.A O no hydrogen 2.646 N/A THR 737.A N ASN 525.A OD1 no hydrogen 2.697 N/A GLU 738.A N ILE 724.A O no hydrogen 2.924 N/A TYR 739.A N HIS 657.A O no hydrogen 2.978 N/A ILE 740.A N ASP 722.A O no hydrogen 3.038 N/A LYS 743.A N ASP 690.A OD2 no hydrogen 3.172 N/A ILE 746.A N LYS 742.A O no hydrogen 3.046 N/A VAL 747.A N LYS 743.A O no hydrogen 3.005 N/A ARG 748.A N ASN 744.A O no hydrogen 3.105 N/A ARG 748.A NH1 ASP 745.A OD1 no hydrogen 3.302 N/A VAL 749.A N ASP 745.A O no hydrogen 3.102 N/A PHE 750.A N ILE 746.A O no hydrogen 3.197 N/A ASN 751.A N VAL 747.A O no hydrogen 2.943 N/A GLU 752.A N ARG 748.A O no hydrogen 3.024 N/A TYR 753.A N PHE 750.A O no hydrogen 3.133 N/A GLY 754.A N ASN 751.A O no hydrogen 2.994 N/A PHE 755.A N PHE 750.A O no hydrogen 2.820 N/A VAL 756.A N SER 817.A O no hydrogen 2.964 N/A VAL 758.A N VAL 815.A O no hydrogen 3.142 N/A PHE 763.A N TYR 811.A O no hydrogen 2.928 N/A ALA 764.A N LEU 808.A O no hydrogen 3.125 N/A THR 765.A N ASP 762.A OD1 no hydrogen 2.700 N/A THR 765.A OG1 ASP 762.A OD1 no hydrogen 2.670 N/A THR 765.A OG1 ASP 762.A OD2 no hydrogen 3.006 N/A ILE 766.A N ASP 762.A O no hydrogen 3.424 N/A ILE 767.A N PHE 763.A O no hydrogen 3.106 N/A GLU 768.A N ALA 764.A O no hydrogen 3.201 N/A ARG 769.A N THR 765.A O no hydrogen 2.998 N/A SER 770.A N ILE 767.A O no hydrogen 3.245 N/A SER 770.A OG TYR 546.A OH no hydrogen 3.022 N/A LYS 771.A N GLU 768.A O no hydrogen 3.331 N/A LYS 771.A NZ GLU 768.A OE1 no hydrogen 3.218 N/A ILE 774.A N SER 770.A O no hydrogen 2.746 N/A ASN 775.A N LYS 771.A O no hydrogen 2.989 N/A GLY 776.A N PHE 773.A O no hydrogen 3.116 N/A SER 778.A N PHE 773.A O no hydrogen 3.189 N/A SER 778.A OG PHE 773.A O no hydrogen 3.164 N/A SER 778.A OG ILE 774.A O no hydrogen 2.739 N/A THR 779.A OG1 GLY 776.A O no hydrogen 2.920 N/A MET 780.A N ALA 777.A O no hydrogen 2.909 N/A GLU 781.A N SER 778.A O no hydrogen 3.401 N/A ARG 787.A N ARG 783.A O no hydrogen 2.859 N/A ARG 787.A NH1 THR 779.A O no hydrogen 3.202 N/A ARG 787.A NH2 ASP 782.A O no hydrogen 3.342 N/A ASN 788.A N PRO 784.A O no hydrogen 3.130 N/A PHE 789.A N SER 785.A O no hydrogen 3.337 N/A PHE 790.A N THR 786.A O no hydrogen 3.355 N/A GLU 791.A N ARG 787.A O no hydrogen 2.913 N/A LEU 792.A N ASN 788.A O no hydrogen 2.955 N/A ASN 793.A N PHE 789.A O no hydrogen 3.272 N/A ASN 793.A ND2 PHE 789.A O no hydrogen 2.744 N/A ARG 794.A N PHE 790.A O no hydrogen 2.685 N/A ARG 794.A NH1 ILE 774.A O no hydrogen 2.715 N/A GLY 795.A N GLU 791.A O no hydrogen 2.971 N/A ALA 796.A N LEU 792.A O no hydrogen 2.796 N/A ILE 797.A N ASN 793.A O no hydrogen 2.931 N/A LYS 798.A N ARG 794.A O no hydrogen 3.159 N/A ASP 803.A N ILE 702.A O no hydrogen 2.974 N/A LEU 807.A N ASP 803.A O no hydrogen 3.106 N/A LEU 808.A N VAL 804.A O no hydrogen 2.793 N/A SER 809.A N ASP 806.A O no hydrogen 3.057 N/A SER 809.A OG ASP 806.A O no hydrogen 2.248 N/A TYR 810.A N LEU 807.A O no hydrogen 2.721 N/A TYR 811.A N LEU 808.A O no hydrogen 3.287 N/A VAL 812.A N THR 686.A O no hydrogen 2.901 N/A VAL 813.A N VAL 761.A O no hydrogen 2.927 N/A TYR 814.A N ILE 684.A O no hydrogen 3.031 N/A VAL 815.A N ASP 759.A O no hydrogen 2.995 N/A PHE 816.A N VAL 682.A O no hydrogen 3.094 N/A SER 817.A N VAL 756.A O no hydrogen 2.877 N/A LYS 818.A N GLY 680.A O no hydrogen 3.016 N/A LYS 818.A NZ TYR 753.A O no hydrogen 3.225 N/A ARG 819.A N GLY 754.A O no hydrogen 2.783 N/A