Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qjm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 ASP 265.A OD1 no hydrogen 3.135 N/A ARG 7.A N ASP 55.A OD2 no hydrogen 2.755 N/A ARG 7.A NE ASP 55.A OD2 no hydrogen 2.668 N/A ARG 7.A NH1 ASN 52.A O no hydrogen 2.545 N/A ARG 7.A NH2 ASP 55.A OD1 no hydrogen 2.414 N/A TRP 8.A N SER 35.A O no hydrogen 2.595 N/A CYS 9.A N ALA 56.A O no hydrogen 3.023 N/A THR 10.A N ILE 37.A O no hydrogen 3.374 N/A THR 10.A OG1 ILE 37.A O no hydrogen 2.905 N/A SER 12.A OG SER 185.A OG no hydrogen 2.591 N/A ALA 16.A N SER 12.A O no hydrogen 3.400 N/A ALA 17.A N PRO 13.A O no hydrogen 3.241 N/A LYS 18.A N ALA 14.A O no hydrogen 3.157 N/A LYS 18.A NZ LEU 288.A O no hydrogen 2.939 N/A LYS 18.A NZ GLY 290.A O no hydrogen 2.563 N/A LYS 18.A NZ SER 291.A OG no hydrogen 2.885 N/A LYS 18.A NZ LEU 298.A O no hydrogen 2.955 N/A CYS 19.A N GLU 15.A O no hydrogen 2.548 N/A ALA 20.A N ALA 16.A O no hydrogen 2.476 N/A LYS 21.A N ALA 17.A O no hydrogen 2.973 N/A PHE 22.A N LYS 18.A O no hydrogen 3.036 N/A GLN 23.A N CYS 19.A O no hydrogen 2.903 N/A GLN 23.A NE2 VAL 34.A O no hydrogen 2.430 N/A ARG 24.A N ALA 20.A O no hydrogen 3.266 N/A ASN 25.A N LYS 21.A O no hydrogen 2.795 N/A ASN 25.A ND2 ALA 285.A O no hydrogen 2.763 N/A MET 26.A N PHE 22.A O no hydrogen 2.744 N/A LYS 27.A N GLN 23.A O no hydrogen 3.099 N/A LYS 28.A N ARG 24.A O no hydrogen 2.747 N/A VAL 29.A N MET 26.A O no hydrogen 2.941 N/A ARG 30.A N LYS 27.A O no hydrogen 2.807 N/A ILE 37.A N TRP 8.A O no hydrogen 2.927 N/A GLU 44.A N SER 41.A OG no hydrogen 2.990 N/A CYS 45.A N SER 41.A O no hydrogen 2.579 N/A CYS 45.A SG CYS 9.A O no hydrogen 2.749 N/A CYS 45.A SG THR 10.A O no hydrogen 3.562 N/A ILE 46.A N SER 42.A O no hydrogen 2.996 N/A ALA 48.A N GLU 44.A O no hydrogen 3.178 N/A ILE 49.A N CYS 45.A O no hydrogen 3.075 N/A ALA 50.A N ILE 46.A O no hydrogen 2.786 N/A ALA 51.A N GLN 47.A O no hydrogen 2.703 N/A ASN 52.A ND2 ASN 52.A O no hydrogen 2.434 N/A LYS 53.A N ALA 48.A O no hydrogen 2.767 N/A ASP 55.A N ARG 7.A O no hydrogen 3.113 N/A ALA 56.A N ARG 7.A O no hydrogen 3.187 N/A THR 58.A OG1 LEU 299.A O no hydrogen 2.693 N/A LEU 59.A N ALA 254.A O no hydrogen 2.644 N/A GLY 62.A N ASP 60.A OD2 no hydrogen 3.286 N/A GLY 62.A N SER 122.A OG no hydrogen 3.401 N/A VAL 64.A N ASP 60.A O no hydrogen 2.642 N/A TYR 65.A N GLY 61.A O no hydrogen 3.032 N/A GLU 66.A N GLY 62.A O no hydrogen 3.409 N/A ALA 67.A N LEU 63.A O no hydrogen 2.763 N/A GLY 68.A N TYR 65.A O no hydrogen 2.852 N/A LEU 69.A N TYR 65.A O no hydrogen 3.179 N/A LEU 69.A N GLU 66.A O no hydrogen 2.634 N/A TYR 72.A N LEU 69.A O no hydrogen 3.196 N/A LEU 74.A N ALA 67.A O no hydrogen 2.561 N/A ARG 75.A N ALA 257.A O no hydrogen 2.737 N/A ARG 75.A NE GLU 264.A OE2 no hydrogen 3.086 N/A ARG 75.A NH1 PRO 311.A O no hydrogen 2.813 N/A ARG 75.A NH1 ILE 314.A O no hydrogen 2.754 N/A ARG 75.A NH2 GLU 264.A OE1 no hydrogen 2.835 N/A ARG 75.A NH2 ILE 310.A O no hydrogen 3.551 N/A VAL 77.A N VAL 255.A O no hydrogen 2.746 N/A ALA 78.A N VAL 255.A O no hydrogen 3.016 N/A ALA 79.A N VAL 308.A O no hydrogen 2.756 N/A GLU 80.A N HIS 253.A O no hydrogen 3.343 N/A TYR 82.A N GLN 89.A O no hydrogen 3.259 N/A TYR 82.A OH GLU 80.A OE1 no hydrogen 2.267 N/A THR 84.A OG1 TYR 82.A O no hydrogen 3.511 N/A THR 84.A OG1 LYS 87.A O no hydrogen 3.097 N/A TYR 92.A N VAL 250.A O no hydrogen 2.558 N/A TYR 93.A N ASP 211.A OD2 no hydrogen 2.622 N/A ALA 94.A N ALA 248.A O no hydrogen 2.676 N/A VAL 95.A N VAL 209.A O no hydrogen 2.849 N/A VAL 97.A N ALA 207.A O no hydrogen 2.662 N/A VAL 98.A N GLU 228.A O no hydrogen 3.416 N/A LYS 99.A NZ LEU 199.A O no hydrogen 2.676 N/A LYS 99.A NZ GLU 200.A O no hydrogen 2.550 N/A LYS 100.A N LYS 226.A O no hydrogen 3.064 N/A LYS 100.A NZ ASP 225.A O no hydrogen 2.630 N/A SER 102.A N LYS 99.A O no hydrogen 2.985 N/A SER 102.A OG LYS 99.A O no hydrogen 2.843 N/A PHE 104.A N SER 102.A O no hydrogen 3.026 N/A GLN 105.A NE2 GLY 103.A O no hydrogen 2.534 N/A GLN 108.A N GLN 105.A O no hydrogen 2.568 N/A GLN 108.A NE2 ASN 107.A OD1 no hydrogen 3.634 N/A GLY 111.A N PHE 152.A O no hydrogen 3.264 N/A VAL 112.A N LEU 109.A O no hydrogen 2.904 N/A SER 114.A N SER 156.A OG no hydrogen 3.005 N/A SER 114.A OG HIS 116.A NE2 no hydrogen 3.229 N/A SER 114.A OG SER 156.A OG no hydrogen 2.533 N/A CYS 115.A N VAL 206.A O no hydrogen 2.578 N/A CYS 115.A SG ALA 195.A O no hydrogen 3.726 N/A HIS 116.A NE2 SER 114.A OG no hydrogen 3.229 N/A THR 117.A OG1 GLY 118.A O no hydrogen 3.492 N/A LEU 119.A N PRO 159.A O no hydrogen 2.624 N/A SER 122.A N ASP 60.A OD2 no hydrogen 2.847 N/A SER 122.A OG ASP 60.A OD2 no hydrogen 3.156 N/A SER 122.A OG TYR 324.A OH no hydrogen 3.084 N/A TRP 125.A N ARG 121.A O no hydrogen 2.987 N/A ASN 126.A N ARG 121.A O no hydrogen 2.955 N/A ASN 126.A ND2 TYR 324.A OH no hydrogen 2.608 N/A ILE 127.A N SER 122.A O no hydrogen 2.830 N/A ILE 129.A N TRP 125.A O no hydrogen 2.859 N/A GLY 130.A N ILE 127.A O no hydrogen 3.067 N/A THR 131.A N ILE 127.A O no hydrogen 3.260 N/A LEU 132.A N PRO 128.A O no hydrogen 3.014 N/A ARG 133.A N GLY 130.A O no hydrogen 3.213 N/A TYR 135.A N LEU 132.A O no hydrogen 2.714 N/A LEU 136.A N ARG 133.A O no hydrogen 2.850 N/A TRP 138.A NE1 GLU 143.A O no hydrogen 2.593 N/A THR 139.A OG1 GLU 143.A OE1 no hydrogen 3.391 N/A GLU 143.A N GLY 140.A O no hydrogen 2.775 N/A VAL 149.A N LEU 145.A O no hydrogen 3.254 N/A ALA 150.A N GLN 146.A O no hydrogen 2.666 N/A ASN 151.A N LYS 147.A O no hydrogen 2.771 N/A PHE 152.A N ALA 148.A O no hydrogen 2.837 N/A PHE 152.A N VAL 149.A O no hydrogen 2.643 N/A PHE 153.A N VAL 149.A O no hydrogen 3.197 N/A SER 154.A OG GLY 111.A O no hydrogen 2.952 N/A SER 156.A N ASN 168.A O no hydrogen 2.695 N/A SER 156.A OG SER 114.A O no hydrogen 2.907 N/A SER 156.A OG SER 114.A OG no hydrogen 2.533 N/A SER 156.A OG ALA 155.A O no hydrogen 2.419 N/A VAL 158.A N LEU 169.A O no hydrogen 2.494 N/A CYS 160.A N CYS 181.A O no hydrogen 3.445 N/A ALA 161.A N VAL 158.A O no hydrogen 3.078 N/A TYR 166.A N ASP 162.A O no hydrogen 2.779 N/A ASN 168.A ND2 PHE 153.A O no hydrogen 2.941 N/A LEU 169.A N TYR 166.A O no hydrogen 2.629 N/A CYS 170.A N PRO 167.A O no hydrogen 2.815 N/A CYS 170.A SG VAL 158.A O no hydrogen 3.188 N/A LEU 172.A N SER 156.A O no hydrogen 2.584 N/A CYS 173.A N CYS 170.A O no hydrogen 3.094 N/A ASP 179.A N THR 176.A OG1 no hydrogen 3.313 N/A LYS 180.A N THR 176.A O no hydrogen 3.231 N/A LYS 180.A N GLU 177.A O no hydrogen 3.330 N/A LYS 180.A NZ ARG 171.A O no hydrogen 3.380 N/A CYS 181.A N GLU 187.A OE1 no hydrogen 2.895 N/A CYS 181.A SG VAL 158.A O no hydrogen 2.874 N/A CYS 181.A SG ALA 161.A O no hydrogen 3.711 N/A CYS 181.A SG CYS 181.A O no hydrogen 2.936 N/A ALA 182.A N ASP 179.A O no hydrogen 2.777 N/A CYS 183.A SG CYS 183.A O no hydrogen 2.797 N/A SER 185.A OG SER 12.A OG no hydrogen 2.591 N/A SER 185.A OG GLU 295.A OE2 no hydrogen 2.915 N/A GLN 186.A N SER 184.A OG no hydrogen 3.244 N/A GLU 187.A N SER 184.A O no hydrogen 2.881 N/A TYR 189.A N GLU 187.A OE2 no hydrogen 2.860 N/A TYR 189.A OH ASN 201.A OD1 no hydrogen 3.353 N/A PHE 190.A N GLU 187.A O no hydrogen 2.913 N/A GLY 191.A N THR 117.A O no hydrogen 2.651 N/A TYR 192.A OH TYR 92.A OH no hydrogen 3.176 N/A TYR 192.A OH HIS 253.A NE2 no hydrogen 2.660 N/A ALA 195.A N GLY 191.A O no hydrogen 2.607 N/A PHE 196.A N TYR 192.A O no hydrogen 2.883 N/A LYS 197.A N SER 193.A O no hydrogen 3.040 N/A LYS 197.A NZ GLU 200.A OE2 no hydrogen 3.080 N/A CYS 198.A N GLY 194.A O no hydrogen 3.164 N/A LEU 199.A N ALA 195.A O no hydrogen 3.125 N/A LEU 199.A N PHE 196.A O no hydrogen 2.794 N/A GLU 200.A N PHE 196.A O no hydrogen 2.776 N/A ASN 201.A N LYS 197.A O no hydrogen 2.814 N/A GLY 202.A N LEU 199.A O no hydrogen 2.715 N/A GLY 204.A N CYS 198.A O no hydrogen 2.745 N/A ASP 205.A N LYS 113.A O no hydrogen 2.950 N/A ALA 207.A N VAL 97.A O no hydrogen 2.705 N/A VAL 209.A N VAL 95.A O no hydrogen 2.874 N/A LYS 210.A NZ TYR 192.A OH no hydrogen 2.705 N/A ASP 211.A N TYR 93.A O no hydrogen 3.149 N/A SER 212.A OG GLU 216.A OE2 no hydrogen 2.904 N/A THR 213.A N LYS 210.A O no hydrogen 3.366 N/A THR 213.A OG1 LYS 210.A O no hydrogen 2.627 N/A GLU 216.A N SER 212.A O no hydrogen 2.653 N/A ASN 217.A N VAL 214.A O no hydrogen 2.782 N/A ASN 217.A ND2 THR 213.A O no hydrogen 2.902 N/A LEU 218.A N VAL 214.A O no hydrogen 2.929 N/A ARG 224.A N ASP 220.A O no hydrogen 3.195 N/A ARG 224.A NE LEU 218.A O no hydrogen 2.709 N/A ARG 224.A NH2 LEU 218.A O no hydrogen 3.417 N/A ASP 225.A N ALA 222.A O no hydrogen 2.719 N/A LYS 226.A N GLU 223.A O no hydrogen 2.848 N/A LYS 226.A NZ GLU 223.A OE1 no hydrogen 2.839 N/A GLU 228.A N VAL 98.A O no hydrogen 2.710 N/A LEU 229.A N LYS 237.A O no hydrogen 2.924 N/A LEU 230.A N ALA 96.A O no hydrogen 3.149 N/A CYS 231.A N THR 235.A O no hydrogen 3.154 N/A CYS 231.A SG LEU 229.A O no hydrogen 3.179 N/A ASN 234.A N CYS 231.A O no hydrogen 2.680 N/A ASN 234.A ND2 ASP 233.A O no hydrogen 3.027 N/A THR 235.A N ASP 233.A OD1 no hydrogen 3.190 N/A THR 235.A OG1 ASP 233.A OD1 no hydrogen 3.332 N/A ARG 236.A NE GLY 103.A O no hydrogen 2.956 N/A ARG 236.A NE PHE 104.A O no hydrogen 2.860 N/A ARG 236.A NH1 SER 102.A OG no hydrogen 2.792 N/A ARG 236.A NH1 GLU 228.A OE1 no hydrogen 3.320 N/A ARG 236.A NH2 SER 102.A OG no hydrogen 2.790 N/A ARG 236.A NH2 PHE 104.A O no hydrogen 2.477 N/A LYS 237.A N LEU 229.A O no hydrogen 3.161 N/A ALA 241.A N PRO 238.A O no hydrogen 2.721 N/A GLU 244.A N ALA 241.A O no hydrogen 2.759 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.720 N/A CYS 245.A N ALA 241.A O no hydrogen 2.659 N/A CYS 245.A SG LEU 229.A O no hydrogen 3.445 N/A HIS 246.A ND1 PHE 242.A O no hydrogen 2.515 N/A LEU 247.A N ALA 94.A O no hydrogen 2.797 N/A ALA 248.A N ALA 94.A O no hydrogen 3.296 N/A ARG 249.A NH2 GLN 89.A OE1 no hydrogen 3.387 N/A VAL 250.A N TYR 92.A O no hydrogen 2.507 N/A SER 252.A N THR 90.A O no hydrogen 2.580 N/A SER 252.A OG THR 90.A O no hydrogen 2.572 N/A HIS 253.A N TYR 82.A OH no hydrogen 3.351 N/A ALA 254.A N LEU 59.A O no hydrogen 2.673 N/A VAL 255.A N ALA 78.A O no hydrogen 2.631 N/A VAL 256.A N VAL 57.A O no hydrogen 3.293 N/A ALA 257.A N ARG 75.A O no hydrogen 3.225 N/A ARG 258.A NE ILE 49.A O no hydrogen 3.578 N/A ARG 258.A NH1 ASP 261.A O no hydrogen 2.264 N/A ARG 258.A NH2 ALA 54.A O no hydrogen 2.795 N/A ARG 258.A NH2 ASP 55.A OD1 no hydrogen 2.546 N/A SER 259.A OG LYS 73.A O no hydrogen 2.722 N/A LEU 266.A N ARG 263.A O no hydrogen 2.632 N/A ILE 267.A N ARG 263.A O no hydrogen 3.220 N/A TRP 268.A N GLU 264.A O no hydrogen 3.021 N/A LYS 269.A NZ ASP 265.A O no hydrogen 2.988 N/A LEU 270.A N LEU 266.A O no hydrogen 2.973 N/A LEU 271.A N ILE 267.A O no hydrogen 2.941 N/A HIS 272.A N TRP 268.A O no hydrogen 2.864 N/A ARG 273.A N LYS 269.A O no hydrogen 2.946 N/A ARG 273.A NH2 ARG 30.A O no hydrogen 2.687 N/A ALA 274.A N LEU 270.A O no hydrogen 2.898 N/A GLN 275.A N LEU 271.A O no hydrogen 2.689 N/A GLN 275.A NE2 PHE 307.A O no hydrogen 3.560 N/A GLU 276.A N HIS 272.A O no hydrogen 3.311 N/A GLU 277.A N ALA 274.A O no hydrogen 3.146 N/A PHE 278.A N ALA 274.A O no hydrogen 3.041 N/A GLY 279.A N GLN 275.A O no hydrogen 2.700 N/A LYS 282.A N GLY 279.A O no hydrogen 3.165 N/A LYS 282.A NZ ARG 280.A O no hydrogen 2.965 N/A ALA 285.A N SER 283.A OG no hydrogen 2.542 N/A LEU 288.A N PHE 278.A O no hydrogen 2.747 N/A GLY 290.A N LEU 288.A O no hydrogen 2.587 N/A SER 291.A OG ASP 302.A OD1 no hydrogen 2.993 N/A THR 292.A OG1 GLU 295.A O no hydrogen 3.163 N/A GLU 295.A N THR 292.A OG1 no hydrogen 3.038 N/A ASP 297.A N ASP 302.A OD2 no hydrogen 3.118 N/A LEU 298.A N SER 291.A OG no hydrogen 2.874 N/A LEU 299.A N GLU 15.A OE2 no hydrogen 2.928 N/A PHE 300.A N LEU 298.A O no hydrogen 2.825 N/A LYS 301.A N GLU 80.A OE2 no hydrogen 2.549 N/A LYS 301.A NZ GLU 216.A OE1 no hydrogen 3.063 N/A LYS 301.A NZ GLU 216.A OE2 no hydrogen 2.640 N/A LYS 301.A NZ ASP 297.A OD1 no hydrogen 3.131 N/A LYS 301.A NZ ASP 302.A O no hydrogen 3.177 N/A ASP 302.A N ASP 297.A OD1 no hydrogen 3.007 N/A SER 303.A N PHE 289.A O no hydrogen 3.104 N/A PHE 307.A N GLN 275.A OE1 no hydrogen 2.582 N/A VAL 308.A N ALA 79.A O no hydrogen 2.640 N/A ILE 310.A N VAL 77.A O no hydrogen 2.745 N/A SER 312.A OG GLU 264.A OE1 no hydrogen 3.310 N/A ILE 314.A N PRO 311.A O no hydrogen 3.270 N/A TYR 319.A N ASP 315.A O no hydrogen 3.324 N/A TYR 319.A OH SER 252.A O no hydrogen 2.553 N/A LEU 320.A N SER 316.A O no hydrogen 2.774 N/A GLY 321.A N GLY 317.A O no hydrogen 2.731 N/A TYR 324.A OH SER 122.A OG no hydrogen 3.084 N/A LEU 325.A N GLY 321.A O no hydrogen 3.260 N/A THR 326.A N ALA 322.A O no hydrogen 3.116 N/A THR 326.A OG1 ALA 322.A O no hydrogen 3.208 N/A THR 326.A OG1 ASN 323.A O no hydrogen 2.817 N/A THR 328.A N TYR 324.A O no hydrogen 2.903 N/A THR 328.A OG1 TYR 324.A O no hydrogen 2.658 N/A GLN 329.A N LEU 325.A O no hydrogen 2.791 N/A ASN 330.A N THR 326.A O no hydrogen 2.481 N/A LEU 331.A N ALA 327.A O no hydrogen 2.958 N/A LEU 331.A N THR 328.A O no hydrogen 3.025 N/A ARG 332.A N GLN 329.A O no hydrogen 2.795 N/A ARG 332.A NH1 THR 328.A O no hydrogen 3.456 N/A ARG 332.A NH2 GLU 66.A OE2 no hydrogen 2.568 N/A GLU 333.A N ASN 330.A O no hydrogen 3.447 N/A GLU 337.A N THR 334.A OG1 no hydrogen 2.619 N/A VAL 338.A N THR 334.A O no hydrogen 2.635 N/A ALA 339.A N ALA 335.A O no hydrogen 2.529 N/A ALA 340.A N ALA 336.A O no hydrogen 2.695 N/A ARG 341.A N GLU 337.A O no hydrogen 2.842 N/A ARG 341.A NH1 ARG 341.A O no hydrogen 2.926 N/A ARG 341.A NH1 ASP 390.A OD1 no hydrogen 3.322 N/A ARG 341.A NH1 ASP 390.A OD2 no hydrogen 2.810 N/A ARG 341.A NH2 ASP 390.A OD1 no hydrogen 2.867 N/A ARG 342.A N VAL 338.A O no hydrogen 3.022 N/A GLU 343.A N ALA 339.A O no hydrogen 2.949 N/A GLU 343.A N ALA 340.A O no hydrogen 2.862 N/A ARG 344.A N ALA 340.A O no hydrogen 3.307 N/A VAL 346.A N ASP 390.A OD2 no hydrogen 2.747 N/A TRP 347.A N ALA 370.A O no hydrogen 3.067 N/A CYS 348.A N ALA 391.A O no hydrogen 2.791 N/A CYS 348.A SG ALA 372.A O no hydrogen 2.843 N/A CYS 348.A SG CYS 380.A O no hydrogen 3.898 N/A ALA 349.A N ALA 372.A O no hydrogen 2.724 N/A VAL 350.A N GLU 354.A OE1 no hydrogen 2.843 N/A GLY 351.A N ALA 374.A O no hydrogen 3.154 N/A GLU 355.A N GLY 351.A O no hydrogen 3.020 N/A ARG 356.A N PRO 352.A O no hydrogen 2.818 N/A LYS 357.A N GLU 353.A O no hydrogen 2.983 N/A LYS 357.A NZ LEU 631.A O no hydrogen 2.697 N/A LYS 357.A NZ LYS 633.A O no hydrogen 3.338 N/A LYS 357.A NZ LEU 639.A O no hydrogen 2.627 N/A CYS 358.A N GLU 354.A O no hydrogen 2.544 N/A CYS 358.A SG ALA 370.A O no hydrogen 3.688 N/A LYS 359.A N GLU 355.A O no hydrogen 2.523 N/A LYS 359.A NZ GLU 355.A OE2 no hydrogen 2.771 N/A GLN 360.A N ARG 356.A O no hydrogen 2.815 N/A TRP 361.A N LYS 357.A O no hydrogen 3.083 N/A TRP 361.A NE1 GLN 614.A OE1 no hydrogen 2.582 N/A SER 362.A N CYS 358.A O no hydrogen 3.014 N/A SER 362.A OG VAL 369.A O no hydrogen 3.313 N/A ASP 363.A N LYS 359.A O no hydrogen 3.084 N/A VAL 364.A N GLN 360.A O no hydrogen 2.861 N/A SER 365.A N TRP 361.A O no hydrogen 3.053 N/A SER 365.A N SER 362.A O no hydrogen 2.891 N/A SER 365.A OG TRP 361.A O no hydrogen 3.160 N/A SER 365.A OG SER 362.A O no hydrogen 2.871 N/A ASN 366.A N ASP 363.A O no hydrogen 3.468 N/A ARG 367.A N SER 362.A O no hydrogen 3.256 N/A LYS 368.A N SER 365.A O no hydrogen 3.467 N/A ALA 370.A N VAL 345.A O no hydrogen 2.973 N/A ALA 372.A N TRP 347.A O no hydrogen 2.804 N/A SER 373.A OG GLU 355.A OE1 no hydrogen 3.168 N/A ALA 374.A N ALA 349.A O no hydrogen 3.135 N/A SER 375.A OG GLU 379.A OE1 no hydrogen 3.268 N/A THR 376.A OG1 GLU 379.A OE1 no hydrogen 3.283 N/A GLU 379.A N THR 376.A OG1 no hydrogen 3.421 N/A CYS 380.A N THR 376.A O no hydrogen 3.039 N/A CYS 380.A SG ALA 349.A O no hydrogen 2.968 N/A CYS 380.A SG ALA 372.A O no hydrogen 3.721 N/A ILE 381.A N THR 377.A O no hydrogen 3.018 N/A ILE 381.A N GLU 378.A O no hydrogen 2.476 N/A ALA 382.A N GLU 378.A O no hydrogen 3.035 N/A LEU 383.A N GLU 379.A O no hydrogen 3.091 N/A VAL 384.A N CYS 380.A O no hydrogen 3.252 N/A LEU 385.A N ILE 381.A O no hydrogen 2.863 N/A LYS 386.A N ALA 382.A O no hydrogen 2.584 N/A LYS 386.A NZ ASP 315.A OD2 no hydrogen 2.732 N/A GLY 387.A N LEU 383.A O no hydrogen 2.713 N/A GLY 387.A N VAL 384.A O no hydrogen 2.742 N/A GLU 388.A N LEU 383.A O no hydrogen 3.122 N/A ALA 389.A N LEU 383.A O no hydrogen 3.177 N/A ASP 390.A N VAL 346.A O no hydrogen 3.088 N/A ALA 391.A N VAL 346.A O no hydrogen 3.187 N/A ASN 393.A ND2 GLU 413.A OE2 no hydrogen 3.058 N/A ASN 393.A ND2 LEU 640.A O no hydrogen 2.990 N/A LEU 394.A N ALA 596.A O no hydrogen 3.347 N/A PHE 398.A N ASP 395.A O no hydrogen 2.538 N/A ILE 399.A N ASP 395.A O no hydrogen 2.843 N/A TYR 400.A N GLY 396.A O no hydrogen 2.919 N/A ALA 402.A N PHE 398.A O no hydrogen 2.741 N/A GLY 403.A N ILE 399.A O no hydrogen 2.746 N/A LYS 404.A N TYR 400.A O no hydrogen 2.937 N/A LYS 404.A NZ TYR 657.A OH no hydrogen 3.357 N/A CYS 405.A N VAL 401.A O no hydrogen 2.684 N/A CYS 405.A SG VAL 401.A O no hydrogen 4.010 N/A GLY 406.A N GLY 403.A O no hydrogen 2.789 N/A LEU 407.A N ALA 402.A O no hydrogen 3.058 N/A VAL 408.A N SER 599.A O no hydrogen 3.075 N/A VAL 410.A N VAL 597.A O no hydrogen 3.116 N/A ALA 412.A N ALA 649.A O no hydrogen 2.701 N/A GLU 413.A N HIS 595.A O no hydrogen 3.412 N/A ASN 414.A N CYS 647.A O no hydrogen 2.692 N/A ASN 414.A ND2 CYS 425.A O no hydrogen 3.269 N/A ASN 414.A ND2 ARG 428.A O no hydrogen 3.070 N/A SER 417.A N GLN 415.A O no hydrogen 2.363 N/A SER 417.A OG GLN 415.A O no hydrogen 2.766 N/A ASN 419.A ND2 GLU 431.A OE2 no hydrogen 3.266 N/A SER 420.A OG SER 420.A O no hydrogen 2.618 N/A SER 420.A OG ASP 424.A OD2 no hydrogen 3.229 N/A ASN 421.A ND2 SER 417.A O no hydrogen 2.765 N/A ALA 422.A N SER 420.A O no hydrogen 2.822 N/A CYS 425.A SG ASN 414.A O no hydrogen 3.752 N/A HIS 427.A N ASP 424.A O no hydrogen 2.624 N/A ARG 428.A N ASP 424.A O no hydrogen 2.415 N/A ARG 428.A NH1 GLU 646.A OE1 no hydrogen 2.987 N/A ARG 428.A NH2 GLU 646.A OE1 no hydrogen 3.044 N/A ARG 428.A NH2 GLU 646.A OE2 no hydrogen 3.370 N/A TYR 433.A N ALA 592.A O no hydrogen 3.165 N/A TYR 433.A OH ASP 395.A OD1 no hydrogen 2.395 N/A TYR 433.A OH HIS 595.A NE2 no hydrogen 2.727 N/A VAL 436.A N VAL 543.A O no hydrogen 2.634 N/A VAL 438.A N ALA 541.A O no hydrogen 2.769 N/A VAL 439.A N GLU 570.A O no hydrogen 3.318 N/A ARG 440.A NH1 ASP 443.A OD2 no hydrogen 2.996 N/A ARG 440.A NH1 ASP 539.A OD1 no hydrogen 3.444 N/A ARG 440.A NH2 LEU 533.A O no hydrogen 3.516 N/A LYS 441.A N ASP 568.A O no hydrogen 3.197 N/A SER 442.A OG ASP 443.A OD1 no hydrogen 2.627 N/A THR 447.A N SER 450.A OG no hydrogen 2.321 N/A THR 447.A OG1 ASN 449.A OD1 no hydrogen 3.204 N/A TRP 448.A N THR 447.A OG1 no hydrogen 2.337 N/A ASN 449.A N THR 447.A OG1 no hydrogen 3.011 N/A GLY 453.A N PHE 486.A O no hydrogen 2.494 N/A LYS 454.A N LEU 451.A O no hydrogen 3.153 N/A LYS 455.A N ASP 539.A OD2 no hydrogen 2.918 N/A LYS 455.A NZ ALA 537.A O no hydrogen 3.362 N/A SER 456.A N GLN 489.A O no hydrogen 3.451 N/A SER 456.A OG HIS 458.A NE2 no hydrogen 2.911 N/A SER 456.A OG SER 490.A OG no hydrogen 2.748 N/A CYS 457.A N VAL 540.A O no hydrogen 2.842 N/A HIS 458.A N CYS 491.A O no hydrogen 2.486 N/A ARG 463.A NH1 TYR 524.A OH no hydrogen 3.295 N/A THR 464.A N ASP 395.A OD2 no hydrogen 3.075 N/A THR 464.A OG1 ASP 395.A OD2 no hydrogen 3.565 N/A THR 464.A OG1 TYR 665.A OH no hydrogen 2.274 N/A ASN 468.A N ARG 463.A O no hydrogen 2.671 N/A ASN 468.A ND2 TYR 665.A OH no hydrogen 2.949 N/A ILE 469.A N THR 464.A O no hydrogen 3.205 N/A MET 471.A N TRP 467.A O no hydrogen 3.027 N/A GLY 472.A N ASN 468.A O no hydrogen 2.895 N/A LEU 473.A N ILE 469.A O no hydrogen 2.817 N/A LEU 474.A N PRO 470.A O no hydrogen 2.694 N/A PHE 475.A N MET 471.A O no hydrogen 2.564 N/A ASN 476.A N GLY 472.A O no hydrogen 2.943 N/A GLN 477.A N LEU 473.A O no hydrogen 3.140 N/A GLN 477.A N LEU 474.A O no hydrogen 2.928 N/A THR 478.A N LEU 474.A O no hydrogen 2.719 N/A THR 478.A OG1 LEU 474.A O no hydrogen 3.179 N/A THR 478.A OG1 SER 480.A O no hydrogen 3.180 N/A LYS 482.A N SER 480.A OG no hydrogen 3.421 N/A PHE 483.A N CYS 481.A O no hydrogen 2.823 N/A LYS 485.A N LYS 482.A O no hydrogen 2.546 N/A SER 488.A OG LYS 454.A O no hydrogen 2.769 N/A SER 490.A N SER 500.A O no hydrogen 2.616 N/A SER 490.A OG SER 456.A OG no hydrogen 2.748 N/A CYS 491.A N SER 456.A O no hydrogen 2.808 N/A GLY 494.A N CYS 515.A O no hydrogen 2.574 N/A SER 499.A OG ASP 496.A O no hydrogen 2.299 N/A SER 500.A OG ASP 484.A O no hydrogen 3.473 N/A CYS 502.A N SER 499.A O no hydrogen 3.094 N/A ALA 503.A N SER 500.A O no hydrogen 2.702 N/A LEU 504.A N SER 490.A O no hydrogen 2.879 N/A VAL 506.A N GLU 521.A OE2 no hydrogen 3.261 N/A GLY 507.A N GLU 521.A OE1 no hydrogen 3.039 N/A ASN 508.A N GLU 512.A O no hydrogen 2.831 N/A ASN 508.A ND2 ASN 513.A OD1 no hydrogen 3.004 N/A ASN 511.A N ASN 508.A O no hydrogen 2.570 N/A GLU 512.A N ASN 508.A OD1 no hydrogen 2.675 N/A LYS 514.A NZ ALA 503.A O no hydrogen 3.304 N/A CYS 515.A N GLU 521.A OE1 no hydrogen 3.280 N/A CYS 515.A SG ALA 492.A O no hydrogen 3.631 N/A CYS 515.A SG ALA 495.A O no hydrogen 3.706 N/A CYS 515.A SG CYS 515.A O no hydrogen 2.724 N/A MET 516.A N ASN 513.A O no hydrogen 2.895 N/A SER 519.A OG GLU 353.A OE1 no hydrogen 3.346 N/A GLU 520.A N ASN 518.A OD1 no hydrogen 2.905 N/A GLU 521.A N ASN 518.A O no hydrogen 3.059 N/A ARG 522.A NH2 GLY 507.A O no hydrogen 3.149 N/A ARG 522.A NH2 ASN 508.A O no hydrogen 2.622 N/A TYR 523.A N GLU 521.A OE2 no hydrogen 2.829 N/A TYR 523.A OH GLU 535.A OE1 no hydrogen 3.180 N/A TYR 524.A N GLU 521.A O no hydrogen 2.945 N/A GLY 525.A N THR 459.A O no hydrogen 2.605 N/A TYR 526.A OH HIS 595.A NE2 no hydrogen 2.945 N/A THR 527.A OG1 THR 636.A O no hydrogen 2.892 N/A ALA 529.A N GLY 525.A O no hydrogen 2.801 N/A PHE 530.A N TYR 526.A O no hydrogen 3.087 N/A ARG 531.A N THR 527.A O no hydrogen 2.931 N/A ARG 531.A NE GLU 535.A OE2 no hydrogen 2.894 N/A ARG 531.A NH2 GLU 535.A OE2 no hydrogen 3.497 N/A CYS 532.A N GLY 528.A O no hydrogen 3.086 N/A LEU 533.A N ALA 529.A O no hydrogen 3.382 N/A ALA 534.A N PHE 530.A O no hydrogen 2.935 N/A GLU 535.A N ARG 531.A O no hydrogen 2.488 N/A LYS 536.A N LEU 533.A O no hydrogen 2.749 N/A GLY 538.A N CYS 532.A O no hydrogen 3.240 N/A ASP 539.A N LYS 455.A O no hydrogen 3.332 N/A VAL 540.A N LYS 455.A O no hydrogen 2.978 N/A ALA 541.A N VAL 438.A O no hydrogen 2.596 N/A PHE 542.A N CYS 457.A O no hydrogen 3.196 N/A VAL 543.A N VAL 436.A O no hydrogen 3.424 N/A LYS 544.A N THR 547.A OG1 no hydrogen 2.956 N/A LYS 544.A NZ ASN 642.A OD1 no hydrogen 2.773 N/A ASP 545.A N LEU 434.A O no hydrogen 3.208 N/A VAL 546.A N ASP 545.A OD1 no hydrogen 2.410 N/A THR 547.A OG1 LYS 544.A O no hydrogen 2.692 N/A GLN 550.A N VAL 546.A O no hydrogen 3.068 N/A GLN 550.A N THR 547.A O no hydrogen 2.717 N/A ASN 551.A N VAL 548.A O no hydrogen 2.884 N/A THR 552.A N VAL 548.A O no hydrogen 3.093 N/A THR 552.A OG1 ASP 553.A OD1 no hydrogen 2.420 N/A ASP 553.A N LEU 564.A O no hydrogen 2.792 N/A LYS 555.A N THR 552.A O no hydrogen 3.245 N/A ASN 556.A ND2 GLU 558.A OE1 no hydrogen 3.130 N/A TRP 560.A NE1 GLU 558.A OE2 no hydrogen 2.826 N/A ALA 561.A N GLU 558.A O no hydrogen 2.553 N/A LYS 562.A N GLU 558.A O no hydrogen 3.127 N/A GLN 566.A N ASP 553.A OD1 no hydrogen 3.113 N/A ASP 568.A N LYS 565.A O no hydrogen 2.656 N/A PHE 569.A N GLN 566.A O no hydrogen 2.646 N/A GLU 570.A N VAL 439.A O no hydrogen 3.129 N/A LEU 571.A N LYS 579.A O no hydrogen 2.890 N/A LEU 572.A N ALA 437.A O no hydrogen 2.898 N/A CYS 573.A N THR 577.A O no hydrogen 2.620 N/A CYS 573.A SG LEU 571.A O no hydrogen 3.066 N/A CYS 573.A SG THR 577.A O no hydrogen 2.985 N/A ASP 575.A N CYS 573.A O no hydrogen 2.444 N/A THR 577.A N CYS 573.A O no hydrogen 3.043 N/A THR 577.A N ASP 575.A OD1 no hydrogen 2.982 N/A THR 577.A OG1 ASP 575.A O no hydrogen 3.189 N/A THR 577.A OG1 ASP 575.A OD1 no hydrogen 2.567 N/A THR 577.A OG1 ASP 575.A OD2 no hydrogen 2.666 N/A ARG 578.A NE GLU 570.A OE1 no hydrogen 2.563 N/A ARG 578.A NH1 ASP 443.A O no hydrogen 2.719 N/A ARG 578.A NH1 LEU 446.A O no hydrogen 2.753 N/A ARG 578.A NH2 ARG 440.A O no hydrogen 3.558 N/A ARG 578.A NH2 ASP 443.A O no hydrogen 3.043 N/A ARG 578.A NH2 GLU 570.A OE1 no hydrogen 2.573 N/A LYS 579.A N LEU 571.A O no hydrogen 2.726 N/A LYS 579.A NZ GLU 583.A OE1 no hydrogen 3.017 N/A ALA 584.A N ALA 582.A O no hydrogen 2.581 N/A SER 586.A N GLU 583.A O no hydrogen 2.633 N/A CYS 587.A N ALA 584.A O no hydrogen 2.868 N/A CYS 587.A SG LEU 572.A O no hydrogen 3.200 N/A HIS 588.A ND1 ALA 584.A O no hydrogen 3.046 N/A LEU 589.A N ALA 435.A O no hydrogen 3.017 N/A ALA 592.A N TYR 433.A O no hydrogen 2.660 N/A HIS 595.A NE2 TYR 526.A OH no hydrogen 2.945 N/A ALA 596.A N LEU 394.A O no hydrogen 3.008 N/A VAL 597.A N LEU 411.A O no hydrogen 3.002 N/A VAL 598.A N LEU 392.A O no hydrogen 3.147 N/A SER 599.A N VAL 408.A O no hydrogen 3.395 N/A SER 599.A OG GLN 600.A O no hydrogen 2.767 N/A GLN 600.A NE2 VAL 384.A O no hydrogen 2.941 N/A GLN 600.A NE2 LEU 385.A O no hydrogen 3.428 N/A ARG 603.A NE ASP 390.A OD1 no hydrogen 3.083 N/A ARG 603.A NH2 ARG 344.A O no hydrogen 2.776 N/A ARG 603.A NH2 ASP 390.A OD1 no hydrogen 3.095 N/A ARG 603.A NH2 ASP 390.A OD2 no hydrogen 3.365 N/A ALA 604.A N SER 601.A O no hydrogen 2.848 N/A LEU 607.A N ARG 603.A O no hydrogen 2.952 N/A LYS 608.A N ALA 604.A O no hydrogen 3.169 N/A LYS 608.A NZ GLU 650.A OE1 no hydrogen 2.939 N/A LYS 609.A N GLN 605.A O no hydrogen 3.009 N/A VAL 610.A N HIS 606.A O no hydrogen 3.313 N/A LEU 611.A N LEU 607.A O no hydrogen 3.188 N/A PHE 612.A N LYS 608.A O no hydrogen 2.897 N/A LEU 613.A N LYS 609.A O no hydrogen 2.976 N/A GLN 614.A N VAL 610.A O no hydrogen 2.728 N/A GLN 615.A N LEU 611.A O no hydrogen 2.543 N/A ASP 616.A N LEU 613.A O no hydrogen 2.576 N/A GLN 617.A N LEU 613.A O no hydrogen 3.084 N/A GLN 617.A N GLN 614.A O no hydrogen 3.226 N/A PHE 618.A N GLN 614.A O no hydrogen 2.859 N/A GLY 622.A N GLY 619.A O no hydrogen 3.436 N/A CYS 625.A N GLY 622.A O no hydrogen 2.813 N/A LYS 628.A N ASP 624.A O no hydrogen 3.187 N/A PHE 629.A N ASP 624.A O no hydrogen 3.337 N/A LEU 631.A N PHE 618.A O no hydrogen 2.576 N/A LYS 633.A N CYS 630.A O no hydrogen 3.405 N/A LYS 633.A NZ ASP 643.A O no hydrogen 2.836 N/A SER 634.A OG ASP 643.A OD1 no hydrogen 2.545 N/A SER 634.A OG ASP 643.A OD2 no hydrogen 2.767 N/A THR 636.A OG1 GLU 635.A O no hydrogen 2.850 N/A LYS 637.A N SER 634.A O no hydrogen 2.717 N/A LYS 637.A NZ SER 634.A O no hydrogen 2.839 N/A ASN 638.A N ASP 643.A OD2 no hydrogen 2.632 N/A LEU 639.A N SER 634.A OG no hydrogen 2.523 N/A LEU 640.A N GLU 354.A OE2 no hydrogen 3.364 N/A PHE 641.A N LEU 639.A O no hydrogen 2.719 N/A ASN 642.A N GLU 413.A OE2 no hydrogen 2.800 N/A ASN 642.A ND2 GLU 413.A OE1 no hydrogen 2.681 N/A ASN 642.A ND2 GLU 413.A OE2 no hydrogen 3.276 N/A ASP 643.A N ASN 638.A OD1 no hydrogen 2.805 N/A THR 645.A N ASN 642.A O no hydrogen 3.029 N/A THR 645.A OG1 ASN 642.A O no hydrogen 2.950 N/A GLU 646.A N ASN 414.A O no hydrogen 2.840 N/A CYS 647.A N ASN 414.A O no hydrogen 3.191 N/A CYS 647.A SG GLN 615.A OE1 no hydrogen 3.490 N/A LEU 648.A N GLN 615.A OE1 no hydrogen 2.965 N/A ALA 649.A N ALA 412.A O no hydrogen 2.496 N/A LYS 654.A N LEU 651.A O no hydrogen 2.886 N/A THR 655.A N GLN 659.A OE1 no hydrogen 3.046 N/A THR 655.A OG1 GLY 653.A O no hydrogen 3.440 N/A THR 655.A OG1 GLN 659.A OE1 no hydrogen 3.199 N/A THR 656.A N GLN 659.A OE1 no hydrogen 2.614 N/A THR 656.A OG1 GLU 658.A OE1 no hydrogen 3.092 N/A GLU 658.A N GLU 658.A OE1 no hydrogen 2.560 N/A GLN 659.A N THR 656.A OG1 no hydrogen 3.272 N/A TYR 660.A N THR 656.A O no hydrogen 3.085 N/A TYR 660.A OH ASN 594.A O no hydrogen 2.623 N/A LEU 661.A N TYR 657.A O no hydrogen 2.977 N/A GLY 662.A N GLU 658.A O no hydrogen 2.434 N/A SER 663.A OG GLU 664.A OE2 no hydrogen 3.335 N/A TYR 665.A N GLU 664.A OE1 no hydrogen 2.799 N/A TYR 665.A OH THR 464.A OG1 no hydrogen 2.274 N/A VAL 666.A N GLY 662.A O no hydrogen 3.257 N/A THR 667.A N SER 663.A O no hydrogen 2.610 N/A THR 667.A OG1 SER 663.A O no hydrogen 2.672 N/A SER 668.A N GLU 664.A O no hydrogen 2.576 N/A ILE 669.A N TYR 665.A O no hydrogen 2.626 N/A THR 670.A N VAL 666.A O no hydrogen 2.898 N/A THR 670.A OG1 VAL 666.A O no hydrogen 2.618 N/A THR 670.A OG1 THR 667.A O no hydrogen 3.220 N/A ASN 671.A N THR 667.A O no hydrogen 2.887 N/A LEU 672.A N SER 668.A O no hydrogen 3.438 N/A ARG 673.A N ILE 669.A O no hydrogen 3.139 N/A ARG 673.A NH1 TYR 400.A OH no hydrogen 2.653 N/A ARG 674.A N ASN 671.A O no hydrogen 2.817 N/A CYS 675.A N LEU 672.A O no hydrogen 2.601 N/A CYS 675.A SG CYS 481.A O no hydrogen 3.832 N/A SER 676.A N LEU 672.A O no hydrogen 2.996 N/A SER 677.A OG GLU 682.A OE2 no hydrogen 3.227 N/A LEU 681.A N SER 678.A OG no hydrogen 3.254 N/A GLU 682.A N SER 678.A O no hydrogen 3.107 N/A ALA 683.A N PRO 679.A O no hydrogen 2.862 N/A CYS 684.A N LEU 680.A O no hydrogen 2.910 N/A CYS 684.A SG LEU 680.A O no hydrogen 3.538 N/A ALA 685.A N LEU 681.A O no hydrogen 2.992 N/A PHE 686.A N GLU 682.A O no hydrogen 3.234 N/A PHE 686.A N ALA 683.A O no hydrogen 2.915 N/A LEU 687.A N ALA 683.A O no hydrogen 3.049 N/A ARG 688.A N CYS 684.A O no hydrogen 3.058 N/A