Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ibj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A OH HIS 142.A NE2 no hydrogen 2.252 N/A ARG 4.A N TYR 1.A O no hydrogen 3.181 N/A ARG 4.A NH1 GLU 34.A OE1 no hydrogen 2.939 N/A ARG 4.A NH2 GLU 34.A OE1 no hydrogen 2.652 N/A ASP 5.A N TYR 1.A O no hydrogen 3.150 N/A ARG 6.A N ASP 3.A O no hydrogen 3.165 N/A ARG 6.A NE ASP 3.A OD1 no hydrogen 3.161 N/A LYS 7.A N ASP 3.A O no hydrogen 3.231 N/A ILE 8.A N ARG 4.A O no hydrogen 2.740 N/A GLN 10.A N ARG 6.A O no hydrogen 3.006 N/A CYS 12.A N ILE 8.A O no hydrogen 2.925 N/A CYS 12.A SG ILE 8.A O no hydrogen 3.046 N/A GLY 13.A N LEU 9.A O no hydrogen 2.934 N/A GLU 14.A N LEU 11.A O no hydrogen 2.634 N/A LEU 15.A N LEU 11.A O no hydrogen 2.845 N/A TYR 16.A N GLU 14.A O no hydrogen 2.654 N/A SER 21.A N ASP 19.A OD2 no hydrogen 3.034 N/A SER 22.A N ASP 19.A OD2 no hydrogen 3.339 N/A SER 22.A OG ASP 19.A O no hydrogen 3.224 N/A LEU 23.A N ASP 19.A O no hydrogen 3.200 N/A GLN 24.A N ALA 20.A O no hydrogen 3.222 N/A LEU 25.A N SER 21.A O no hydrogen 3.210 N/A LYS 26.A NZ GLU 14.A O no hydrogen 2.816 N/A VAL 27.A N LEU 23.A O no hydrogen 3.116 N/A LEU 28.A N GLN 24.A O no hydrogen 2.722 N/A GLN 29.A N LEU 25.A O no hydrogen 2.626 N/A GLN 29.A NE2 GLY 58.A O no hydrogen 2.757 N/A TYR 30.A N VAL 27.A O no hydrogen 3.345 N/A LEU 31.A N VAL 27.A O no hydrogen 3.197 N/A GLN 32.A N LEU 28.A O no hydrogen 2.716 N/A GLN 33.A N TYR 30.A O no hydrogen 3.065 N/A GLU 34.A N TYR 30.A O no hydrogen 3.097 N/A THR 35.A OG1 LEU 31.A O no hydrogen 2.230 N/A ARG 36.A N GLN 33.A O no hydrogen 2.460 N/A ALA 37.A N GLN 32.A O no hydrogen 3.320 N/A SER 38.A N ASN 129.A O no hydrogen 2.820 N/A SER 38.A OG PHE 128.A O no hydrogen 3.465 N/A SER 38.A OG ASN 129.A O no hydrogen 2.288 N/A CYS 40.A N GLN 32.A OE1 no hydrogen 2.912 N/A CYS 40.A SG ARG 39.A O no hydrogen 3.543 N/A CYS 40.A SG CYS 126.A O no hydrogen 3.616 N/A CYS 41.A N CYS 126.A O no hydrogen 3.048 N/A LEU 43.A N LEU 124.A O no hydrogen 2.945 N/A LEU 44.A N SER 53.A O no hydrogen 2.664 N/A VAL 45.A N VAL 122.A O no hydrogen 2.940 N/A SER 46.A N GLN 51.A O no hydrogen 2.678 N/A SER 46.A OG ASP 48.A OD1 no hydrogen 3.260 N/A ASN 49.A N SER 46.A O no hydrogen 2.542 N/A LEU 50.A N SER 46.A OG no hydrogen 2.708 N/A LEU 52.A N PHE 68.A O no hydrogen 3.029 N/A SER 53.A N LEU 44.A O no hydrogen 3.060 N/A SER 53.A OG LEU 44.A O no hydrogen 3.242 N/A CYS 54.A N VAL 66.A O no hydrogen 2.987 N/A CYS 54.A SG LEU 42.A O no hydrogen 3.247 N/A CYS 54.A SG VAL 56.A O no hydrogen 3.387 N/A ILE 57.A N LYS 60.A O no hydrogen 2.991 N/A GLY 58.A N CYS 40.A O no hydrogen 2.635 N/A LYS 60.A N ILE 57.A O no hydrogen 3.059 N/A LEU 62.A N LYS 55.A O no hydrogen 2.933 N/A VAL 66.A N CYS 54.A O no hydrogen 2.989 N/A PHE 68.A N LEU 52.A O no hydrogen 3.036 N/A LEU 70.A N LEU 50.A O no hydrogen 3.233 N/A THR 71.A N PRO 69.A O no hydrogen 2.803 N/A CYS 73.A SG ASP 88.A O no hydrogen 3.086 N/A LEU 74.A N THR 71.A OG1 no hydrogen 3.112 N/A GLN 76.A NE2 GLN 76.A O no hydrogen 3.368 N/A ASP 80.A N GLN 76.A O no hydrogen 3.132 N/A LYS 81.A NZ ASP 119.A O no hydrogen 3.436 N/A LYS 81.A NZ ASP 119.A OD1 no hydrogen 3.281 N/A SER 83.A OG GLU 141.A OE1 no hydrogen 3.291 N/A SER 83.A OG GLU 141.A OE2 no hydrogen 2.470 N/A ILE 84.A N CYS 110.A O no hydrogen 3.063 N/A GLN 85.A N ASP 88.A OD2 no hydrogen 2.676 N/A ASP 88.A N GLN 85.A O no hydrogen 2.475 N/A LEU 89.A N LEU 86.A O no hydrogen 2.865 N/A THR 90.A OG1 ASP 93.A OD1 no hydrogen 3.016 N/A ASP 93.A N THR 90.A OG1 no hydrogen 3.247 N/A VAL 94.A N THR 90.A O no hydrogen 2.823 N/A GLN 95.A N SER 91.A O no hydrogen 2.735 N/A GLN 96.A N GLU 92.A O no hydrogen 3.315 N/A GLN 96.A N ASP 93.A O no hydrogen 2.488 N/A LEU 97.A N ASP 93.A O no hydrogen 3.398 N/A GLN 98.A N VAL 94.A O no hydrogen 3.035 N/A GLN 98.A NE2 GLU 104.A OE2 no hydrogen 3.276 N/A SER 99.A N GLN 95.A O no hydrogen 2.930 N/A SER 99.A OG GLN 96.A O no hydrogen 3.146 N/A LEU 101.A N LEU 97.A O no hydrogen 2.808 N/A LEU 101.A N GLN 98.A O no hydrogen 3.136 N/A GLY 102.A N GLN 98.A O no hydrogen 2.410 N/A CYS 103.A SG GLU 104.A O no hydrogen 3.063 N/A GLN 106.A N ASN 129.A OD1 no hydrogen 2.975 N/A LEU 109.A N ALA 127.A O no hydrogen 2.569 N/A CYS 110.A N ILE 84.A O no hydrogen 3.166 N/A VAL 111.A N ALA 125.A O no hydrogen 2.669 N/A VAL 113.A N ALA 123.A O no hydrogen 2.660 N/A SER 115.A N GLN 120.A O no hydrogen 2.998 N/A THR 118.A N SER 115.A OG no hydrogen 3.338 N/A VAL 122.A N VAL 113.A O no hydrogen 2.587 N/A LEU 124.A N LEU 43.A O no hydrogen 2.691 N/A ALA 125.A N VAL 111.A O no hydrogen 2.682 N/A CYS 126.A N CYS 41.A O no hydrogen 2.801 N/A CYS 126.A SG LEU 124.A O no hydrogen 3.844 N/A ALA 127.A N LEU 109.A O no hydrogen 2.660 N/A PHE 128.A N ARG 39.A O no hydrogen 3.072 N/A ASN 129.A ND2 GLU 104.A O no hydrogen 2.702 N/A LYS 130.A NZ LEU 135.A O no hydrogen 2.543 N/A LYS 130.A NZ ASP 140.A OD2 no hydrogen 3.232 N/A LEU 131.A N ARG 36.A O no hydrogen 2.404 N/A GLY 133.A N GLU 132.A OE1 no hydrogen 3.083 N/A GLU 139.A N THR 137.A OG1 no hydrogen 2.654 N/A ASP 140.A N THR 137.A O no hydrogen 3.293 N/A ASP 140.A N THR 137.A OG1 no hydrogen 3.115 N/A HIS 142.A N GLU 139.A O no hydrogen 3.204 N/A VAL 143.A N GLU 139.A O no hydrogen 3.162 N/A GLN 145.A N GLU 141.A O no hydrogen 3.202 N/A HIS 146.A N HIS 142.A O no hydrogen 2.995 N/A HIS 146.A NE2 ASP 5.A OD1 no hydrogen 2.710 N/A CYS 147.A N VAL 143.A O no hydrogen 3.153 N/A PHE 148.A N ILE 144.A O no hydrogen 3.268 N/A HIS 149.A N GLN 145.A O no hydrogen 3.165 N/A TYR 150.A N CYS 147.A O no hydrogen 3.211 N/A THR 151.A N CYS 147.A O no hydrogen 2.988 N/A SER 152.A N PHE 148.A O no hydrogen 2.603 N/A LEU 155.A N THR 151.A O no hydrogen 3.287 N/A THR 156.A N SER 152.A O no hydrogen 2.879 N/A SER 157.A N THR 153.A O no hydrogen 2.875 N/A SER 157.A OG VAL 154.A O no hydrogen 3.122 N/A THR 158.A N VAL 154.A O no hydrogen 3.176 N/A THR 158.A N LEU 155.A O no hydrogen 3.213 N/A THR 158.A OG1 VAL 154.A O no hydrogen 2.342 N/A THR 158.A OG1 LEU 155.A O no hydrogen 2.870 N/A LEU 159.A N LEU 155.A O no hydrogen 3.138 N/A ALA 160.A N THR 156.A O no hydrogen 2.975 N/A PHE 161.A N SER 157.A O no hydrogen 2.957 N/A GLN 162.A N THR 158.A O no hydrogen 3.291 N/A GLN 162.A NE2 LEU 18.A O no hydrogen 3.652 N/A LYS 163.A N LEU 159.A O no hydrogen 3.219 N/A LYS 163.A N ALA 160.A O no hydrogen 2.940 N/A GLU 164.A N ALA 160.A O no hydrogen 3.105 N/A GLN 165.A N PHE 161.A O no hydrogen 3.047 N/A LYS 166.A N GLN 162.A O no hydrogen 3.147 N/A LYS 166.A NZ GLU 170.A OE1 no hydrogen 2.822 N/A LEU 167.A N LYS 163.A O no hydrogen 2.864 N/A LYS 168.A N GLU 164.A O no hydrogen 2.819 N/A CYS 169.A N GLN 165.A O no hydrogen 3.278 N/A CYS 169.A SG GLN 165.A O no hydrogen 2.756 N/A GLU 170.A N LEU 167.A O no hydrogen 3.243 N/A CYS 171.A N LYS 168.A O no hydrogen 3.204 N/A CYS 171.A SG LEU 167.A O no hydrogen 3.659 N/A GLN 172.A N LYS 168.A O no hydrogen 3.035 N/A ALA 173.A N CYS 169.A O no hydrogen 3.162 N/A LEU 175.A N CYS 171.A O no hydrogen 2.896 N/A GLN 176.A N GLN 172.A O no hydrogen 2.993 N/A VAL 177.A N ALA 173.A O no hydrogen 3.295 N/A ALA 178.A N LEU 174.A O no hydrogen 2.836 N/A LYS 179.A N LEU 175.A O no hydrogen 2.777 N/A ASN 180.A N GLN 176.A O no hydrogen 2.638 N/A ASN 180.A ND2 GLU 198.A OE1 no hydrogen 3.370 N/A LEU 181.A N VAL 177.A O no hydrogen 2.665 N/A PHE 182.A N ALA 178.A O no hydrogen 3.029 N/A HIS 184.A ND1 ASN 180.A O no hydrogen 2.851 N/A SER 189.A OG ASP 187.A OD1 no hydrogen 2.737 N/A VAL 190.A N ASP 187.A O no hydrogen 3.236 N/A LEU 191.A N ASP 187.A O no hydrogen 3.433 N/A GLN 193.A N VAL 190.A O no hydrogen 3.173 N/A GLU 194.A N VAL 190.A O no hydrogen 3.139 N/A ILE 195.A N LEU 191.A O no hydrogen 2.914 N/A THR 197.A N GLN 193.A O no hydrogen 2.731 N/A GLU 198.A N GLU 194.A O no hydrogen 2.667 N/A ALA 199.A N ILE 195.A O no hydrogen 2.852 N/A ARG 200.A N ILE 196.A O no hydrogen 2.798 N/A ASN 201.A N THR 197.A O no hydrogen 3.253 N/A ASN 201.A N GLU 198.A O no hydrogen 3.090 N/A LEU 202.A N GLU 198.A O no hydrogen 2.858 N/A SER 203.A N ALA 199.A O no hydrogen 3.221 N/A SER 203.A OG ALA 199.A O no hydrogen 3.561 N/A ASN 204.A ND2 ASN 201.A O no hydrogen 3.555 N/A ALA 205.A N ARG 200.A O no hydrogen 2.936 N/A GLU 206.A N VAL 293.A O no hydrogen 2.966 N/A GLU 206.A N ASN 294.A O no hydrogen 2.877 N/A ILE 207.A N VAL 293.A O no hydrogen 3.300 N/A CYS 208.A SG GLU 291.A O no hydrogen 3.432 N/A SER 209.A N GLU 291.A O no hydrogen 2.992 N/A PHE 211.A N VAL 289.A O no hydrogen 2.782 N/A LEU 212.A N VAL 219.A O no hydrogen 2.791 N/A LEU 213.A N ILE 287.A O no hydrogen 2.946 N/A ASP 214.A N GLU 217.A O no hydrogen 2.824 N/A LEU 218.A N ILE 237.A O no hydrogen 2.724 N/A VAL 219.A N LEU 212.A O no hydrogen 2.812 N/A ALA 220.A N ILE 235.A O no hydrogen 2.893 N/A VAL 222.A N TYR 233.A O no hydrogen 3.160 N/A SER 232.A OG VAL 222.A O no hydrogen 3.151 N/A ILE 235.A N ALA 220.A O no hydrogen 3.166 N/A ARG 236.A NH1 ASP 214.A OD2 no hydrogen 3.061 N/A ARG 236.A NH2 GLU 234.A OE1 no hydrogen 2.282 N/A ILE 237.A N LEU 218.A O no hydrogen 2.890 N/A ALA 239.A N ASN 216.A O no hydrogen 3.242 N/A GLN 241.A N PRO 238.A O no hydrogen 2.903 N/A GLY 245.A N GLN 241.A O no hydrogen 2.720 N/A HIS 246.A N GLY 242.A O no hydrogen 2.932 N/A VAL 247.A N ILE 243.A O no hydrogen 2.953 N/A ALA 248.A N ALA 244.A O no hydrogen 2.606 N/A THR 249.A N GLY 245.A O no hydrogen 2.838 N/A THR 250.A N HIS 246.A O no hydrogen 2.606 N/A GLY 251.A N VAL 247.A O no hydrogen 2.825 N/A GLN 252.A N THR 250.A OG1 no hydrogen 3.300 N/A GLN 252.A NE2 THR 250.A O no hydrogen 3.255 N/A LEU 254.A N CYS 276.A O no hydrogen 2.816 N/A ASN 255.A ND2 PHE 301.A O no hydrogen 3.043 N/A ASN 255.A ND2 GLU 306.A OE1 no hydrogen 2.962 N/A ILE 256.A N ILE 274.A O no hydrogen 2.911 N/A ALA 259.A N ARG 272.A O no hydrogen 2.803 N/A TYR 260.A N ASP 258.A OD1 no hydrogen 3.513 N/A ALA 261.A N ASP 258.A OD2 no hydrogen 3.254 N/A HIS 262.A N ALA 259.A O no hydrogen 3.091 N/A PHE 265.A N HIS 262.A O no hydrogen 3.290 N/A ARG 272.A N ASN 294.A OD1 no hydrogen 2.481 N/A ARG 272.A NH1 LYS 295.A O no hydrogen 2.837 N/A ASN 273.A ND2 PRO 257.A O no hydrogen 2.903 N/A ILE 274.A N ILE 256.A O no hydrogen 3.191 N/A LEU 275.A N LEU 292.A O no hydrogen 2.950 N/A CYS 276.A N LEU 254.A O no hydrogen 2.976 N/A CYS 276.A SG ALA 290.A O no hydrogen 3.757 N/A PHE 277.A N ALA 290.A O no hydrogen 2.999 N/A LYS 280.A NZ GLY 251.A O no hydrogen 2.313 N/A ASN 281.A N GLU 285.A O no hydrogen 2.928 N/A ASN 281.A ND2 GLU 285.A OE1 no hydrogen 3.001 N/A ASN 283.A N ASN 281.A OD1 no hydrogen 3.228 N/A GLU 285.A N ASN 281.A OD1 no hydrogen 3.327 N/A VAL 289.A N PHE 211.A O no hydrogen 2.895 N/A ALA 290.A N PHE 277.A O no hydrogen 2.953 N/A GLU 291.A N SER 209.A O no hydrogen 2.981 N/A LEU 292.A N LEU 275.A O no hydrogen 2.802 N/A VAL 293.A N ILE 207.A O no hydrogen 2.828 N/A ASN 294.A N ASN 273.A O no hydrogen 2.902 N/A ASN 294.A ND2 GLU 206.A OE1 no hydrogen 2.583 N/A LYS 295.A N ASN 273.A OD1 no hydrogen 2.956 N/A LYS 295.A NZ SER 203.A O no hydrogen 2.746 N/A LYS 295.A NZ ASP 305.A OD2 no hydrogen 2.556 N/A ILE 296.A N ASN 204.A O no hydrogen 3.236 N/A SER 302.A OG ASP 305.A OD2 no hydrogen 2.646 N/A ASP 305.A N SER 302.A O no hydrogen 2.544 N/A ASP 307.A N ASP 307.A OD1 no hydrogen 2.279 N/A LEU 308.A N PHE 304.A O no hydrogen 3.053 N/A THR 310.A N GLU 306.A O no hydrogen 2.554 N/A THR 310.A OG1 GLU 306.A O no hydrogen 2.632 N/A ALA 311.A N ASP 307.A O no hydrogen 2.806 N/A PHE 312.A N LEU 308.A O no hydrogen 2.957 N/A SER 313.A N ALA 309.A O no hydrogen 2.743 N/A SER 313.A OG PRO 278.A O no hydrogen 2.638 N/A ILE 314.A N ALA 311.A O no hydrogen 2.917 N/A CYS 316.A N PHE 312.A O no hydrogen 3.012 N/A CYS 316.A SG PHE 312.A O no hydrogen 3.581 N/A GLY 317.A N SER 313.A O no hydrogen 3.273 N/A ILE 318.A N ILE 314.A O no hydrogen 2.941 N/A SER 319.A N TYR 315.A O no hydrogen 3.003 N/A SER 319.A OG TYR 315.A O no hydrogen 2.840 N/A SER 319.A OG CYS 316.A O no hydrogen 3.132 N/A ILE 320.A N CYS 316.A O no hydrogen 2.785 N/A ALA 321.A N GLY 317.A O no hydrogen 3.138 N/A HIS 322.A N ILE 318.A O no hydrogen 3.228 N/A SER 323.A N SER 319.A O no hydrogen 2.688 N/A LEU 324.A N ILE 320.A O no hydrogen 2.856 N/A LEU 325.A N ALA 321.A O no hydrogen 3.012 N/A TYR 326.A N HIS 322.A O no hydrogen 2.882 N/A TYR 326.A N SER 323.A O no hydrogen 3.160 N/A LYS 327.A N SER 323.A O no hydrogen 3.082 N/A LYS 327.A NZ ASP 187.A OD1 no hydrogen 3.359 N/A LYS 328.A N LEU 324.A O no hydrogen 3.031 N/A ASN 330.A N TYR 326.A O no hydrogen 3.016 N/A GLU 331.A N LYS 327.A O no hydrogen 2.708 N/A ALA 332.A N LYS 328.A O no hydrogen 3.050 N/A GLN 333.A N VAL 329.A O no hydrogen 2.897 N/A TYR 334.A N ASN 330.A O no hydrogen 2.889 N/A ARG 335.A N GLU 331.A O no hydrogen 2.840 N/A SER 336.A OG ALA 332.A O no hydrogen 2.685 N/A HIS 337.A N GLN 333.A O no hydrogen 3.249 N/A LEU 338.A N TYR 334.A O no hydrogen 2.796 N/A ASN 340.A N SER 336.A O no hydrogen 2.568 N/A ASN 340.A ND2 ALA 508.A O no hydrogen 3.260 N/A GLU 341.A N HIS 337.A O no hydrogen 2.345 N/A MET 343.A N ALA 339.A O no hydrogen 3.202 N/A TYR 345.A N MET 342.A O no hydrogen 3.328 N/A TYR 345.A OH ASP 471.A OD2 no hydrogen 2.281 N/A HIS 346.A N GLU 341.A O no hydrogen 3.422 N/A SER 350.A N GLU 353.A OE1 no hydrogen 2.481 N/A SER 350.A OG ASP 351.A OD1 no hydrogen 3.376 N/A TYR 354.A N SER 350.A O no hydrogen 3.133 N/A THR 355.A OG1 ASP 351.A O no hydrogen 3.430 N/A THR 355.A OG1 ASP 352.A O no hydrogen 3.113 N/A LYS 356.A N ASP 352.A O no hydrogen 2.809 N/A LYS 356.A NZ ASP 352.A OD2 no hydrogen 3.145 N/A LEU 357.A N GLU 353.A O no hydrogen 2.960 N/A LEU 358.A N TYR 354.A O no hydrogen 2.628 N/A HIS 359.A N LEU 357.A O no hydrogen 2.994 N/A GLY 361.A N HIS 359.A O no hydrogen 2.268 N/A ILE 368.A N VAL 365.A O no hydrogen 2.462 N/A SER 370.A OG ASP 369.A OD1 no hydrogen 3.512 N/A SER 374.A N ASN 371.A O no hydrogen 2.858 N/A TYR 377.A N SER 374.A O no hydrogen 2.527 N/A SER 381.A N THR 378.A O no hydrogen 2.538 N/A SER 381.A OG THR 378.A O no hydrogen 2.934 N/A LEU 382.A N PRO 379.A O no hydrogen 3.159 N/A ASP 386.A N PRO 383.A O no hydrogen 3.263 N/A THR 387.A OG1 GLU 384.A O no hydrogen 2.712 N/A ALA 390.A N ASP 386.A O no hydrogen 3.369 N/A ILE 391.A N THR 387.A O no hydrogen 3.004 N/A LEU 392.A N SER 388.A O no hydrogen 3.180 N/A SER 393.A N MET 389.A O no hydrogen 2.696 N/A SER 393.A OG MET 389.A O no hydrogen 2.764 N/A SER 393.A OG ALA 390.A O no hydrogen 3.255 N/A MET 394.A N ALA 390.A O no hydrogen 2.532 N/A MET 394.A N ILE 391.A O no hydrogen 2.688 N/A LEU 395.A N ILE 391.A O no hydrogen 2.852 N/A GLN 396.A N LEU 392.A O no hydrogen 3.032 N/A ASP 397.A N SER 393.A O no hydrogen 3.192 N/A MET 398.A N MET 394.A O no hydrogen 3.178 N/A ASN 399.A N GLN 396.A O no hydrogen 2.755 N/A PHE 400.A N LEU 395.A O no hydrogen 3.006 N/A ASN 402.A ND2 ASN 399.A OD1 no hydrogen 2.295 N/A ASN 403.A N ASN 399.A OD1 no hydrogen 3.323 N/A TYR 404.A N PHE 400.A O no hydrogen 3.119 N/A LYS 405.A N ASN 402.A O no hydrogen 2.656 N/A ILE 406.A N ILE 401.A O no hydrogen 2.614 N/A THR 410.A OG1 ASP 407.A OD2 no hydrogen 3.348 N/A THR 410.A OG1 GLY 514.A O no hydrogen 3.081 N/A LEU 411.A N ASP 407.A O no hydrogen 2.944 N/A ALA 412.A N CYS 408.A O no hydrogen 2.596 N/A ARG 413.A NE PRO 409.A O no hydrogen 2.362 N/A PHE 414.A N THR 410.A O no hydrogen 2.902 N/A CYS 415.A N LEU 411.A O no hydrogen 2.997 N/A CYS 415.A SG LEU 411.A O no hydrogen 3.317 N/A LEU 416.A N ALA 412.A O no hydrogen 3.325 N/A LEU 416.A N ARG 413.A O no hydrogen 3.287 N/A MET 417.A N PHE 414.A O no hydrogen 2.728 N/A VAL 418.A N PHE 414.A O no hydrogen 2.812 N/A LYS 420.A N LEU 416.A O no hydrogen 3.154 N/A TYR 422.A N LYS 419.A O no hydrogen 2.941 N/A TYR 422.A OH MET 466.A O no hydrogen 2.869 N/A ARG 423.A NE ASP 471.A OD1 no hydrogen 2.826 N/A TYR 427.A N GLU 601.A OE1 no hydrogen 3.040 N/A TYR 427.A OH TYR 491.A OH no hydrogen 2.392 N/A HIS 428.A N GLU 601.A OE1 no hydrogen 3.288 N/A TRP 430.A NE1 THR 387.A OG1 no hydrogen 3.262 N/A HIS 432.A N ASN 429.A O no hydrogen 2.822 N/A ALA 433.A N ASN 429.A O no hydrogen 3.226 N/A PHE 434.A N TRP 430.A O no hydrogen 2.797 N/A SER 435.A N MET 431.A O no hydrogen 3.027 N/A SER 435.A OG MET 431.A O no hydrogen 2.239 N/A VAL 436.A N HIS 432.A O no hydrogen 2.832 N/A SER 437.A N ALA 433.A O no hydrogen 2.806 N/A SER 437.A OG ALA 433.A O no hydrogen 3.012 N/A HIS 438.A N PHE 434.A O no hydrogen 2.697 N/A HIS 438.A NE2 PHE 372.A O no hydrogen 3.143 N/A PHE 439.A N SER 435.A O no hydrogen 3.012 N/A TYR 441.A N SER 437.A O no hydrogen 2.910 N/A TYR 441.A OH ASP 397.A OD1 no hydrogen 3.265 N/A LEU 442.A N HIS 438.A O no hydrogen 2.824 N/A LEU 443.A N PHE 439.A O no hydrogen 3.099 N/A TYR 444.A N CYS 440.A O no hydrogen 2.902 N/A LYS 445.A N TYR 441.A O no hydrogen 3.200 N/A LYS 445.A NZ ASP 397.A OD1 no hydrogen 2.871 N/A ASN 446.A ND2 ALA 373.A O no hydrogen 3.378 N/A ASN 446.A ND2 LEU 442.A O no hydrogen 2.465 N/A LEU 447.A N LEU 443.A O no hydrogen 2.955 N/A GLU 448.A N LYS 445.A O no hydrogen 2.692 N/A LEU 449.A N TYR 444.A O no hydrogen 3.097 N/A ASN 451.A N GLU 448.A O no hydrogen 3.349 N/A TYR 452.A N LEU 449.A O no hydrogen 2.939 N/A LEU 453.A N LEU 449.A O no hydrogen 3.083 N/A GLU 454.A N GLU 457.A OE1 no hydrogen 2.775 N/A GLU 457.A N GLU 454.A O no hydrogen 2.850 N/A ILE 458.A N GLU 454.A O no hydrogen 3.330 N/A PHE 459.A N ILE 456.A O no hydrogen 3.085 N/A ALA 460.A N ILE 456.A O no hydrogen 2.857 N/A LEU 461.A N GLU 457.A O no hydrogen 2.669 N/A PHE 462.A N ILE 458.A O no hydrogen 3.389 N/A ILE 463.A N PHE 459.A O no hydrogen 3.026 N/A SER 464.A N ALA 460.A O no hydrogen 2.785 N/A SER 464.A OG ALA 460.A O no hydrogen 2.422 N/A CYS 465.A N LEU 461.A O no hydrogen 2.847 N/A CYS 465.A SG LEU 461.A O no hydrogen 3.093 N/A MET 466.A N PHE 462.A O no hydrogen 2.964 N/A CYS 467.A N ILE 463.A O no hydrogen 3.211 N/A CYS 467.A N SER 464.A O no hydrogen 2.903 N/A CYS 467.A SG ILE 463.A O no hydrogen 3.052 N/A HIS 468.A N SER 464.A O no hydrogen 2.813 N/A HIS 468.A ND1 CYS 465.A O no hydrogen 2.808 N/A ASP 469.A N TYR 422.A OH no hydrogen 3.285 N/A LEU 470.A N CYS 467.A O no hydrogen 2.761 N/A ASP 471.A N GLY 421.A O no hydrogen 2.920 N/A HIS 472.A NE2 THR 475.A OG1 no hydrogen 2.815 N/A ARG 473.A NE ASP 471.A O no hydrogen 3.345 N/A ARG 473.A NH2 ASP 471.A OD2 no hydrogen 2.784 N/A THR 475.A N GLU 601.A OE2 no hydrogen 3.184 N/A PHE 479.A N ASN 477.A O no hydrogen 2.217 N/A SER 483.A OG GLU 612.A OE1 no hydrogen 2.618 N/A LEU 490.A N LEU 487.A O no hydrogen 2.885 N/A TYR 491.A OH TYR 427.A OH no hydrogen 2.392 N/A TYR 491.A OH ASP 580.A O no hydrogen 2.875 N/A TYR 491.A OH ASP 583.A OD1 no hydrogen 2.289 N/A SER 492.A N LEU 490.A O no hydrogen 2.321 N/A SER 496.A OG ASP 541.A OD1 no hydrogen 2.756 N/A GLU 499.A N GLU 499.A OE2 no hydrogen 2.588 N/A ARG 500.A N SER 496.A O no hydrogen 2.910 N/A ARG 500.A NH2 GLY 495.A O no hydrogen 3.182 N/A HIS 501.A NE2 ASP 471.A OD2 no hydrogen 2.927 N/A HIS 502.A N MET 498.A O no hydrogen 2.955 N/A PHE 503.A N GLU 499.A O no hydrogen 3.134 N/A ALA 504.A N ARG 500.A O no hydrogen 3.113 N/A GLN 505.A N HIS 501.A O no hydrogen 2.756 N/A GLN 505.A NE2 MET 343.A O no hydrogen 2.878 N/A ALA 506.A N HIS 502.A O no hydrogen 3.161 N/A ILE 507.A N PHE 503.A O no hydrogen 3.264 N/A ILE 507.A N ALA 504.A O no hydrogen 3.135 N/A ALA 508.A N ALA 504.A O no hydrogen 3.098 N/A ILE 509.A N GLN 505.A O no hydrogen 3.230 N/A LEU 510.A N ALA 506.A O no hydrogen 3.320 N/A ASN 511.A N ILE 507.A O no hydrogen 2.784 N/A THR 512.A N ILE 509.A O no hydrogen 2.511 N/A THR 512.A OG1 ALA 508.A O no hydrogen 2.924 N/A CYS 515.A SG HIS 513.A O no hydrogen 3.626 N/A ASN 516.A ND2 TYR 526.A OH no hydrogen 3.252 N/A PHE 518.A N ASN 516.A OD1 no hydrogen 2.998 N/A ASP 519.A N ASN 516.A O no hydrogen 2.962 N/A PHE 521.A N PHE 518.A O no hydrogen 3.514 N/A ASP 525.A N SER 522.A OG no hydrogen 3.297 N/A TYR 526.A N SER 522.A O no hydrogen 2.897 N/A GLN 527.A N ARG 523.A O no hydrogen 3.154 N/A ARG 528.A N LYS 524.A O no hydrogen 3.222 N/A MET 529.A N ASP 525.A O no hydrogen 2.552 N/A LEU 530.A N GLN 527.A O no hydrogen 2.471 N/A ASP 531.A N GLN 527.A O no hydrogen 3.171 N/A LEU 532.A N ARG 528.A O no hydrogen 2.959 N/A ARG 534.A N LEU 530.A O no hydrogen 2.928 N/A ARG 534.A NE ASP 535.A OD1 no hydrogen 3.302 N/A ARG 534.A NH2 ASP 535.A OD1 no hydrogen 2.959 N/A ARG 534.A NH2 ASP 535.A OD2 no hydrogen 3.564 N/A ASP 535.A N ASP 531.A O no hydrogen 2.614 N/A ILE 536.A N LEU 532.A O no hydrogen 2.885 N/A ILE 537.A N MET 533.A O no hydrogen 2.951 N/A LEU 538.A N ARG 534.A O no hydrogen 3.008 N/A ALA 539.A N ILE 536.A O no hydrogen 2.664 N/A THR 540.A N ILE 537.A O no hydrogen 3.241 N/A THR 540.A OG1 ILE 537.A O no hydrogen 3.103 N/A ALA 543.A N ASP 541.A OD2 no hydrogen 3.025 N/A HIS 544.A N ASP 541.A O no hydrogen 2.622 N/A HIS 545.A N ASP 541.A O no hydrogen 2.916 N/A LEU 546.A N LEU 542.A O no hydrogen 2.992 N/A ILE 548.A N HIS 544.A O no hydrogen 3.072 N/A ILE 548.A N HIS 545.A O no hydrogen 3.059 N/A PHE 549.A N HIS 545.A O no hydrogen 2.851 N/A PHE 549.A N LEU 546.A O no hydrogen 3.204 N/A ASP 551.A N ILE 548.A O no hydrogen 2.632 N/A LEU 552.A N ILE 548.A O no hydrogen 3.067 N/A LEU 552.A N PHE 549.A O no hydrogen 2.936 N/A LYS 554.A NZ GLU 557.A OE1 no hydrogen 3.060 N/A GLU 557.A N GLN 553.A O no hydrogen 2.577 N/A VAL 558.A N LYS 554.A O no hydrogen 2.600 N/A TYR 560.A OH TYR 452.A O no hydrogen 2.856 N/A ARG 562.A NH2 LEU 453.A O no hydrogen 3.136 N/A HIS 567.A N ASN 564.A OD1 no hydrogen 3.246 N/A HIS 568.A N LYS 565.A O no hydrogen 3.186 N/A HIS 568.A ND1 GLU 457.A OE2 no hydrogen 3.116 N/A ARG 569.A N GLN 566.A O no hydrogen 3.289 N/A ARG 569.A NH1 GLN 566.A OE1 no hydrogen 3.124 N/A LEU 570.A N GLN 566.A O no hydrogen 3.251 N/A LEU 571.A N HIS 567.A O no hydrogen 2.950 N/A LEU 572.A N HIS 568.A O no hydrogen 3.084 N/A LEU 572.A N ARG 569.A O no hydrogen 2.952 N/A CYS 573.A N ARG 569.A O no hydrogen 2.901 N/A CYS 573.A SG ARG 569.A O no hydrogen 3.298 N/A LEU 574.A N LEU 570.A O no hydrogen 2.760 N/A LEU 575.A N LEU 571.A O no hydrogen 3.058 N/A MET 576.A N LEU 572.A O no hydrogen 3.111 N/A THR 577.A N CYS 573.A O no hydrogen 3.002 N/A THR 577.A OG1 CYS 573.A O no hydrogen 3.310 N/A SER 578.A N LEU 574.A O no hydrogen 2.875 N/A SER 578.A OG LEU 574.A O no hydrogen 2.941 N/A CYS 579.A N LEU 575.A O no hydrogen 3.021 N/A CYS 579.A SG LEU 575.A O no hydrogen 2.948 N/A ASP 580.A N MET 576.A O no hydrogen 2.866 N/A LEU 581.A N THR 577.A O no hydrogen 3.127 N/A SER 582.A N CYS 579.A O no hydrogen 3.431 N/A GLN 584.A N LEU 581.A O no hydrogen 3.030 N/A GLN 584.A NE2 ASP 583.A OD2 no hydrogen 3.516 N/A GLN 584.A NE2 GLN 620.A OE1 no hydrogen 3.531 N/A THR 585.A N SER 582.A O no hydrogen 3.083 N/A THR 585.A OG1 SER 582.A O no hydrogen 2.284 N/A THR 590.A N GLY 587.A O no hydrogen 2.393 N/A THR 591.A N GLY 587.A O no hydrogen 2.859 N/A THR 591.A OG1 ASP 583.A O no hydrogen 3.228 N/A ARG 592.A N TRP 588.A O no hydrogen 2.906 N/A LYS 593.A NZ GLU 596.A OE1 no hydrogen 2.652 N/A ILE 594.A N THR 590.A O no hydrogen 3.098 N/A ALA 595.A N THR 591.A O no hydrogen 2.854 N/A ILE 598.A N ILE 594.A O no hydrogen 3.115 N/A TYR 599.A N ALA 595.A O no hydrogen 2.624 N/A LYS 600.A N GLU 596.A O no hydrogen 2.526 N/A GLU 601.A N LEU 597.A O no hydrogen 2.952 N/A PHE 602.A N ILE 598.A O no hydrogen 2.835 N/A SER 604.A OG LYS 600.A O no hydrogen 3.184 N/A SER 604.A OG GLU 601.A O no hydrogen 2.881 N/A GLN 605.A NE2 GLU 609.A OE1 no hydrogen 3.104 N/A LYS 610.A NZ GLY 606.A O no hydrogen 2.494 N/A ALA 611.A N ASP 607.A O no hydrogen 2.578 N/A ILE 616.A N LYS 613.A O no hydrogen 2.791 N/A LEU 619.A N TYR 615.A O no hydrogen 2.676 N/A GLN 620.A NE2 TYR 599.A OH no hydrogen 2.506 N/A ILE 621.A N PRO 617.A O no hydrogen 2.600 N/A SER 622.A N GLU 618.A O no hydrogen 2.719 N/A PHE 623.A N LEU 619.A O no hydrogen 3.145 N/A MET 624.A N GLN 620.A O no hydrogen 3.170 N/A GLU 625.A N ILE 621.A O no hydrogen 2.904 N/A HIS 626.A N SER 622.A O no hydrogen 2.953 N/A ILE 627.A N PHE 623.A O no hydrogen 2.597 N/A MET 629.A N MET 624.A O no hydrogen 2.826 N/A TYR 632.A N ALA 628.A O no hydrogen 3.494 N/A TYR 632.A OH SER 578.A O no hydrogen 2.596 N/A LYS 633.A N MET 629.A O no hydrogen 3.013 N/A LYS 633.A NZ ASP 637.A OD2 no hydrogen 3.236 N/A LEU 634.A N ILE 631.A O no hydrogen 2.666 N/A LEU 635.A N ILE 631.A O no hydrogen 2.833 N/A GLN 636.A N TYR 632.A O no hydrogen 3.134 N/A GLN 636.A NE2 ALA 643.A O no hydrogen 3.380 N/A ASP 637.A N LEU 634.A O no hydrogen 2.874 N/A PHE 639.A N LEU 635.A O no hydrogen 2.889 N/A LYS 641.A NZ ASN 446.A O no hydrogen 3.126 N/A ALA 642.A N PHE 639.A O no hydrogen 2.996 N/A ALA 643.A N PRO 640.A O no hydrogen 3.153 N/A GLU 647.A N ALA 643.A O no hydrogen 3.199 N/A ARG 648.A NH1 THR 585.A O no hydrogen 3.116 N/A VAL 649.A N LEU 645.A O no hydrogen 3.247 N/A VAL 649.A N TYR 646.A O no hydrogen 2.768 N/A ALA 650.A N TYR 646.A O no hydrogen 2.913 N/A SER 651.A N GLU 647.A O no hydrogen 2.794 N/A ASN 652.A N ARG 648.A O no hydrogen 3.391 N/A ASN 652.A ND2 GLN 584.A O no hydrogen 3.544 N/A ASN 652.A ND2 LYS 586.A O no hydrogen 3.044 N/A ARG 653.A N VAL 649.A O no hydrogen 2.702 N/A ARG 653.A NH1 GLU 625.A OE1 no hydrogen 3.356 N/A ARG 653.A NH1 GLU 625.A OE2 no hydrogen 2.987 N/A GLU 654.A N ALA 650.A O no hydrogen 3.324 N/A HIS 655.A N SER 651.A O no hydrogen 3.279 N/A HIS 655.A ND1 SER 651.A O no hydrogen 3.322 N/A TRP 656.A N ASN 652.A O no hydrogen 3.152 N/A THR 657.A N ARG 653.A O no hydrogen 3.058 N/A LYS 658.A N GLU 654.A O no hydrogen 3.075 N/A VAL 659.A N HIS 655.A O no hydrogen 2.904 N/A SER 660.A N TRP 656.A O no hydrogen 3.088 N/A SER 660.A N THR 657.A O no hydrogen 3.203 N/A SER 660.A OG THR 657.A O no hydrogen 2.331 N/A SER 660.A OG HIS 661.A ND1 no hydrogen 3.383 N/A HIS 661.A N LYS 658.A O no hydrogen 3.111 N/A