Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9bh9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LYS 23.A O no hydrogen 2.969 N/A ASN 6.A N LEU 3.A O no hydrogen 3.117 N/A TRP 7.A N LEU 4.A O no hydrogen 3.048 N/A TRP 7.A NE1 LYS 1.A O no hydrogen 2.824 N/A LEU 14.A N PRO 10.A O no hydrogen 2.935 N/A GLU 15.A N LYS 11.A O no hydrogen 2.770 N/A LYS 16.A N ALA 12.A O no hydrogen 2.957 N/A LYS 16.A NZ GLU 96.A OE1 no hydrogen 3.000 N/A TYR 17.A N VAL 13.A O no hydrogen 2.751 N/A HIS 18.A N LEU 14.A O no hydrogen 2.842 N/A HIS 18.A ND1 GLU 15.A OE1 no hydrogen 2.737 N/A SER 19.A N GLU 15.A O no hydrogen 2.771 N/A PHE 20.A N LYS 16.A O no hydrogen 2.727 N/A GLY 21.A N TYR 17.A O no hydrogen 2.737 N/A MET 25.A N LEU 2.A O no hydrogen 2.905 N/A PHE 26.A N GLN 29.A OE1 no hydrogen 2.978 N/A GLN 29.A N PHE 26.A O no hydrogen 2.996 N/A GLN 29.A NE2 GLY 53.A O no hydrogen 3.078 N/A CYS 32.A N TRP 28.A O no hydrogen 2.981 N/A LEU 33.A N GLN 29.A O no hydrogen 3.030 N/A LEU 34.A N GLU 31.A O no hydrogen 2.865 N/A VAL 38.A N LEU 35.A O no hydrogen 2.728 N/A GLU 40.A N GLN 37.A O no hydrogen 2.974 N/A GLY 41.A N VAL 38.A O no hydrogen 3.048 N/A LYS 42.A N GLN 37.A O no hydrogen 3.080 N/A LYS 42.A NZ GLN 37.A OE1 no hydrogen 2.696 N/A LYS 42.A NZ GLU 205.A OE2 no hydrogen 3.002 N/A ASN 43.A ND2 LEU 202.A O no hydrogen 3.036 N/A LEU 44.A N ILE 185.A O no hydrogen 2.910 N/A VAL 45.A N GLU 205.A O no hydrogen 2.955 N/A TYR 46.A N GLY 187.A O no hydrogen 3.078 N/A TYR 46.A OH LYS 54.A O no hydrogen 2.887 N/A SER 47.A N TYR 207.A O no hydrogen 3.045 N/A ALA 52.A N PRO 49.A O no hydrogen 2.810 N/A LYS 54.A NZ ASP 149.A OD1 no hydrogen 2.783 N/A THR 55.A OG1 GLU 59.A OE2 no hydrogen 2.804 N/A GLU 59.A N THR 55.A O no hydrogen 2.906 N/A LEU 60.A N LEU 56.A O no hydrogen 2.894 N/A LEU 61.A N VAL 57.A O no hydrogen 2.912 N/A ILE 62.A N ALA 58.A O no hydrogen 2.885 N/A LEU 63.A N GLU 59.A O no hydrogen 3.094 N/A LYS 64.A N LEU 60.A O no hydrogen 3.091 N/A LYS 64.A NZ GLU 68.A OE1 no hydrogen 3.404 N/A ARG 65.A N LEU 61.A O no hydrogen 3.044 N/A ARG 65.A NE GLN 184.A OE1 no hydrogen 2.948 N/A ARG 65.A NH1 GLY 144.A O no hydrogen 3.003 N/A VAL 66.A N ILE 62.A O no hydrogen 2.845 N/A LEU 67.A N LEU 63.A O no hydrogen 3.209 N/A GLU 68.A N LYS 64.A O no hydrogen 3.067 N/A MET 69.A N ARG 65.A O no hydrogen 2.789 N/A ARG 70.A N ARG 65.A O no hydrogen 3.292 N/A ARG 70.A NE LEU 67.A O no hydrogen 3.471 N/A LYS 71.A NZ ASP 141.A O no hydrogen 2.742 N/A LYS 72.A NZ SER 115.A O no hydrogen 2.566 N/A ALA 73.A N ASP 118.A O no hydrogen 2.886 N/A PHE 75.A N ALA 120.A O no hydrogen 2.954 N/A ILE 76.A N VAL 147.A O no hydrogen 2.773 N/A LEU 77.A N CYS 122.A O no hydrogen 2.697 N/A SER 81.A OG GLY 365.A O no hydrogen 3.182 N/A ALA 83.A N PHE 79.A O no hydrogen 2.857 N/A LYS 84.A N VAL 80.A O no hydrogen 2.547 N/A GLU 85.A N SER 81.A O no hydrogen 2.898 N/A LYS 86.A N VAL 82.A O no hydrogen 2.953 N/A LYS 86.A NZ GLU 59.A OE2 no hydrogen 3.184 N/A LYS 87.A N ALA 83.A O no hydrogen 2.892 N/A LYS 87.A NZ ASP 102.A OD1 no hydrogen 3.490 N/A TYR 88.A N LYS 84.A O no hydrogen 3.280 N/A TYR 89.A N GLU 85.A O no hydrogen 3.029 N/A LEU 90.A N LYS 86.A O no hydrogen 2.767 N/A GLN 91.A N LYS 87.A O no hydrogen 2.803 N/A GLN 91.A NE2 VAL 101.A O no hydrogen 2.874 N/A SER 92.A N TYR 88.A O no hydrogen 2.759 N/A SER 92.A OG TYR 88.A O no hydrogen 2.855 N/A SER 92.A OG TYR 89.A O no hydrogen 3.009 N/A LEU 93.A N TYR 89.A O no hydrogen 2.779 N/A PHE 94.A N LEU 90.A O no hydrogen 2.903 N/A GLN 95.A N GLN 91.A O no hydrogen 2.501 N/A VAL 97.A N PHE 94.A O no hydrogen 2.732 N/A GLY 98.A N GLN 95.A O no hydrogen 2.888 N/A LYS 100.A N ASP 118.A OD2 no hydrogen 3.081 N/A VAL 101.A N ILE 99.A O no hydrogen 2.656 N/A ASP 102.A N ILE 119.A O no hydrogen 3.190 N/A GLY 103.A N ASP 102.A OD1 no hydrogen 2.948 N/A TYR 104.A N VAL 121.A O no hydrogen 2.822 N/A MET 105.A N THR 108.A O no hydrogen 2.910 N/A SER 116.A N HIS 113.A O no hydrogen 2.961 N/A SER 116.A OG HIS 113.A O no hydrogen 2.812 N/A LEU 117.A N PHE 114.A O no hydrogen 2.867 N/A ASP 118.A N LYS 100.A O no hydrogen 3.301 N/A ALA 120.A N ALA 73.A O no hydrogen 3.219 N/A VAL 121.A N ASP 102.A O no hydrogen 3.102 N/A CYS 122.A N PHE 75.A O no hydrogen 2.653 N/A CYS 122.A SG TYR 104.A O no hydrogen 3.761 N/A CYS 122.A SG THR 123.A O no hydrogen 3.185 N/A THR 123.A N TYR 104.A O no hydrogen 3.440 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.567 N/A ALA 127.A N THR 123.A O no hydrogen 2.765 N/A ASN 128.A N ILE 124.A O no hydrogen 3.033 N/A ASN 128.A ND2 GLU 453.A OE2 no hydrogen 2.926 N/A GLY 129.A N GLU 125.A O no hydrogen 3.289 N/A LEU 130.A N ARG 126.A O no hydrogen 3.008 N/A ILE 131.A N ALA 127.A O no hydrogen 2.978 N/A ASN 132.A N ASN 128.A O no hydrogen 2.988 N/A ARG 133.A N GLY 129.A O no hydrogen 3.051 N/A LEU 134.A N LEU 130.A O no hydrogen 2.981 N/A ILE 135.A N ILE 131.A O no hydrogen 2.921 N/A GLU 136.A N ASN 132.A O no hydrogen 2.749 N/A GLU 137.A N ARG 133.A O no hydrogen 2.996 N/A ASN 138.A N ILE 135.A O no hydrogen 2.947 N/A LYS 139.A N LEU 134.A O no hydrogen 2.695 N/A LYS 139.A NZ GLU 137.A OE1 no hydrogen 2.745 N/A LEU 142.A N LYS 139.A O no hydrogen 2.750 N/A GLY 144.A N LYS 72.A O no hydrogen 2.882 N/A VAL 146.A N GLN 184.A O no hydrogen 3.034 N/A VAL 147.A N LEU 74.A O no hydrogen 2.900 N/A VAL 148.A N VAL 186.A O no hydrogen 2.763 N/A ASP 149.A N ILE 76.A O no hydrogen 3.252 N/A GLU 150.A N ASP 149.A OD1 no hydrogen 2.662 N/A LEU 151.A N MET 188.A O no hydrogen 2.756 N/A MET 153.A N GLU 150.A O no hydrogen 2.905 N/A ASP 156.A N MET 153.A O no hydrogen 2.843 N/A HIS 158.A N ASP 156.A OD1 no hydrogen 2.759 N/A ARG 159.A NE GLU 125.A OE2 no hydrogen 2.437 N/A ARG 159.A NH1 PRO 78.A O no hydrogen 3.151 N/A ARG 159.A NH2 PRO 78.A O no hydrogen 3.097 N/A ARG 159.A NH2 GLU 125.A OE1 no hydrogen 2.656 N/A ARG 159.A NH2 GLU 125.A OE2 no hydrogen 3.253 N/A LEU 163.A N GLY 160.A O no hydrogen 2.747 N/A GLU 164.A N TYR 161.A O no hydrogen 2.846 N/A LEU 165.A N TYR 161.A O no hydrogen 3.170 N/A LEU 166.A N LEU 162.A O no hydrogen 2.899 N/A LEU 167.A N LEU 163.A O no hydrogen 3.363 N/A THR 168.A N GLU 164.A O no hydrogen 2.768 N/A THR 168.A OG1 GLU 164.A O no hydrogen 2.500 N/A LYS 169.A N LEU 165.A O no hydrogen 2.799 N/A LYS 169.A NZ ASN 128.A OD1 no hydrogen 3.042 N/A LYS 169.A NZ ASN 132.A OD1 no hydrogen 2.570 N/A LYS 169.A NZ GLU 453.A OE1 no hydrogen 2.932 N/A ILE 170.A N LEU 166.A O no hydrogen 3.048 N/A CYS 171.A N LEU 167.A O no hydrogen 2.837 N/A CYS 171.A SG LEU 167.A O no hydrogen 3.127 N/A TYR 172.A N THR 168.A O no hydrogen 2.635 N/A TYR 172.A OH ASP 465.A O no hydrogen 3.218 N/A ILE 173.A N LYS 169.A O no hydrogen 3.017 N/A THR 174.A N ILE 170.A O no hydrogen 2.998 N/A THR 174.A OG1 ILE 170.A O no hydrogen 2.484 N/A ARG 175.A N CYS 171.A O no hydrogen 2.846 N/A LYS 176.A N TYR 172.A O no hydrogen 2.869 N/A LYS 176.A NZ ASP 465.A OD1 no hydrogen 3.288 N/A SER 177.A N ILE 173.A O no hydrogen 2.833 N/A SER 177.A OG ILE 173.A O no hydrogen 2.646 N/A ALA 178.A N THR 174.A O no hydrogen 2.652 N/A SER 179.A N ARG 175.A O no hydrogen 2.503 N/A SER 180.A N GLU 40.A O no hydrogen 3.182 N/A ASN 181.A ND2 GLY 41.A O no hydrogen 2.581 N/A GLN 184.A NE2 VAL 38.A O no hydrogen 3.545 N/A GLN 184.A NE2 LYS 42.A O no hydrogen 2.743 N/A ILE 185.A N ASN 43.A OD1 no hydrogen 2.991 N/A VAL 186.A N VAL 146.A O no hydrogen 3.067 N/A GLY 187.A N LEU 44.A O no hydrogen 2.802 N/A MET 188.A N VAL 148.A O no hydrogen 2.774 N/A SER 189.A N TYR 46.A O no hydrogen 3.134 N/A SER 189.A OG ALA 190.A O no hydrogen 3.299 N/A ALA 190.A N HIS 152.A ND1 no hydrogen 3.096 N/A LEU 192.A N ALA 190.A O no hydrogen 2.811 N/A LEU 197.A N ASN 194.A O no hydrogen 2.917 N/A ALA 199.A N LEU 195.A O no hydrogen 2.944 N/A SER 200.A N GLU 196.A O no hydrogen 2.827 N/A SER 200.A OG GLU 196.A O no hydrogen 3.394 N/A SER 200.A OG LEU 197.A O no hydrogen 2.639 N/A TRP 201.A N LEU 197.A O no hydrogen 2.803 N/A TRP 201.A NE1 CYS 472.A O no hydrogen 2.869 N/A LEU 202.A N VAL 198.A O no hydrogen 3.222 N/A ASN 203.A N SER 200.A O no hydrogen 3.091 N/A ALA 204.A N ALA 199.A O no hydrogen 2.668 N/A GLU 205.A N ASN 43.A O no hydrogen 3.113 N/A TYR 207.A N VAL 45.A O no hydrogen 3.169 N/A THR 209.A N SER 47.A O no hydrogen 3.307 N/A PHE 211.A N THR 209.A OG1 no hydrogen 3.018 N/A ARG 212.A NE VAL 214.A O no hydrogen 2.910 N/A LEU 217.A N GLY 406.A O no hydrogen 2.800 N/A SER 219.A OG SER 408.A O no hydrogen 2.774 N/A VAL 220.A N TYR 227.A O no hydrogen 2.969 N/A LYS 221.A N LEU 410.A O no hydrogen 2.761 N/A LYS 221.A NZ ASP 248.A O no hydrogen 3.292 N/A VAL 222.A N SER 225.A O no hydrogen 2.665 N/A SER 225.A N VAL 222.A O no hydrogen 2.680 N/A ILE 226.A N ARG 235.A O no hydrogen 2.969 N/A TYR 227.A N VAL 220.A O no hydrogen 2.782 N/A ASP 228.A N LYS 232.A O no hydrogen 2.401 N/A SER 230.A N ASP 228.A OD2 no hydrogen 2.798 N/A SER 230.A OG ASP 228.A OD2 no hydrogen 3.499 N/A MET 231.A N ASP 228.A O no hydrogen 2.773 N/A VAL 234.A N ILE 226.A O no hydrogen 2.877 N/A ARG 235.A NE GLU 238.A OE1 no hydrogen 3.265 N/A ARG 235.A NH2 GLU 256.A OE2 no hydrogen 3.105 N/A PHE 237.A N ASN 224.A O no hydrogen 2.858 N/A LYS 244.A NZ GLU 247.A OE1 no hydrogen 2.726 N/A HIS 249.A N ASP 246.A O no hydrogen 2.743 N/A SER 252.A OG MET 240.A O no hydrogen 2.595 N/A LEU 253.A N HIS 249.A O no hydrogen 3.255 N/A CYS 254.A N VAL 250.A O no hydrogen 2.928 N/A CYS 254.A SG VAL 250.A O no hydrogen 3.200 N/A TYR 255.A N VAL 251.A O no hydrogen 2.960 N/A TYR 255.A OH PRO 294.A O no hydrogen 2.414 N/A GLU 256.A N SER 252.A O no hydrogen 2.988 N/A THR 257.A N CYS 254.A O no hydrogen 3.224 N/A ILE 258.A N CYS 254.A O no hydrogen 3.341 N/A CYS 259.A N TYR 255.A O no hydrogen 3.255 N/A CYS 259.A SG TYR 255.A O no hydrogen 3.391 N/A ASP 260.A N THR 257.A O no hydrogen 2.868 N/A ASN 261.A N ILE 258.A O no hydrogen 2.970 N/A VAL 264.A N ARG 354.A O no hydrogen 2.670 N/A LEU 265.A N ARG 372.A O no hydrogen 3.040 N/A LEU 266.A N LEU 356.A O no hydrogen 3.137 N/A PHE 267.A N ILE 374.A O no hydrogen 2.782 N/A CYS 268.A N ALA 358.A O no hydrogen 2.875 N/A CYS 268.A SG LEU 266.A O no hydrogen 3.860 N/A TRP 273.A N SER 270.A OG no hydrogen 3.417 N/A CYS 274.A N SER 270.A O no hydrogen 2.646 N/A GLU 275.A N LYS 271.A O no hydrogen 2.762 N/A LYS 276.A N LYS 272.A O no hydrogen 3.288 N/A LEU 277.A N TRP 273.A O no hydrogen 2.961 N/A ALA 278.A N CYS 274.A O no hydrogen 3.160 N/A ASP 279.A N GLU 275.A O no hydrogen 3.376 N/A ILE 280.A N LYS 276.A O no hydrogen 3.168 N/A ILE 281.A N LEU 277.A O no hydrogen 3.160 N/A ALA 282.A N ALA 278.A O no hydrogen 3.035 N/A ARG 283.A N ASP 279.A O no hydrogen 3.016 N/A ARG 283.A NE ASP 279.A OD2 no hydrogen 3.485 N/A GLU 284.A N ILE 280.A O no hydrogen 3.233 N/A GLU 284.A N ILE 281.A O no hydrogen 3.123 N/A PHE 285.A N ILE 281.A O no hydrogen 3.299 N/A TYR 286.A N ALA 282.A O no hydrogen 2.946 N/A ASN 287.A N ARG 283.A O no hydrogen 2.662 N/A ASN 287.A ND2 GLU 284.A OE1 no hydrogen 3.471 N/A LEU 288.A N GLU 284.A O no hydrogen 2.839 N/A HIS 289.A N PHE 285.A O no hydrogen 3.266 N/A HIS 289.A NE2 VAL 296.A O no hydrogen 3.269 N/A HIS 290.A N TYR 286.A O no hydrogen 2.887 N/A GLN 291.A N LEU 288.A O no hydrogen 2.893 N/A ALA 292.A N HIS 289.A O no hydrogen 3.241 N/A GLN 300.A NE2 PRO 326.A O no hydrogen 3.298 N/A GLU 302.A N GLU 299.A O no hydrogen 2.971 N/A LEU 304.A N GLN 300.A O no hydrogen 2.932 N/A GLU 305.A N GLU 302.A O no hydrogen 2.861 N/A VAL 306.A N GLU 302.A O no hydrogen 2.898 N/A MET 307.A N LEU 303.A O no hydrogen 2.828 N/A GLN 309.A N GLU 305.A O no hydrogen 2.783 N/A LEU 310.A N VAL 306.A O no hydrogen 3.162 N/A ARG 311.A NH1 ASP 308.A OD1 no hydrogen 2.399 N/A ARG 312.A N ASP 308.A O no hydrogen 3.147 N/A LEU 313.A N LEU 310.A O no hydrogen 3.022 N/A GLY 316.A N LEU 313.A O no hydrogen 2.710 N/A VAL 320.A N ASP 318.A OD1 no hydrogen 2.634 N/A LEU 321.A N ASP 318.A OD1 no hydrogen 2.952 N/A GLN 322.A N ASP 318.A O no hydrogen 2.853 N/A GLN 322.A NE2 LEU 317.A O no hydrogen 3.051 N/A LYS 323.A N VAL 320.A O no hydrogen 2.852 N/A THR 324.A N VAL 320.A O no hydrogen 3.166 N/A THR 324.A OG1 VAL 329.A O no hydrogen 2.797 N/A VAL 325.A N LEU 321.A O no hydrogen 3.027 N/A TRP 327.A N THR 324.A O no hydrogen 2.972 N/A GLY 328.A N VAL 325.A O no hydrogen 2.957 N/A ALA 330.A N VAL 355.A O no hydrogen 2.834 N/A HIS 332.A N ALA 357.A O no hydrogen 2.904 N/A HIS 333.A NE2 GLU 275.A OE1 no hydrogen 3.184 N/A GLY 335.A N HIS 333.A ND1 no hydrogen 2.839 N/A LEU 336.A N HIS 333.A O no hydrogen 3.155 N/A THR 337.A N GLU 340.A OE1 no hydrogen 2.965 N/A THR 337.A OG1 GLU 340.A OE1 no hydrogen 2.489 N/A PHE 338.A N GLN 648.A OE1 no hydrogen 3.070 N/A ARG 341.A N THR 337.A O no hydrogen 3.274 N/A ARG 341.A NH1 LEU 336.A O no hydrogen 3.296 N/A ASP 342.A N PHE 338.A O no hydrogen 3.037 N/A ILE 343.A N GLU 339.A O no hydrogen 2.935 N/A ILE 344.A N GLU 340.A O no hydrogen 3.080 N/A GLU 345.A N ARG 341.A O no hydrogen 2.723 N/A GLY 346.A N ASP 342.A O no hydrogen 3.190 N/A ALA 347.A N ILE 343.A O no hydrogen 2.881 N/A PHE 348.A N ILE 344.A O no hydrogen 2.928 N/A ARG 349.A N GLU 345.A O no hydrogen 2.855 N/A GLN 350.A N GLY 346.A O no hydrogen 2.894 N/A GLY 351.A N PHE 348.A O no hydrogen 2.919 N/A ILE 353.A N ALA 347.A O no hydrogen 2.800 N/A ARG 354.A N GLY 328.A O no hydrogen 2.645 N/A ARG 354.A NH1 ASN 261.A OD1 no hydrogen 3.456 N/A ARG 354.A NH2 ASN 261.A OD1 no hydrogen 3.328 N/A VAL 355.A N GLY 328.A O no hydrogen 3.374 N/A LEU 356.A N VAL 264.A O no hydrogen 3.055 N/A ALA 357.A N ALA 330.A O no hydrogen 3.033 N/A ALA 358.A N LEU 266.A O no hydrogen 2.983 N/A LEU 362.A N THR 359.A O no hydrogen 3.327 N/A SER 363.A N SER 360.A O no hydrogen 2.753 N/A SER 364.A N SER 360.A O no hydrogen 3.244 N/A ALA 370.A N ARG 396.A O no hydrogen 2.934 N/A ARG 371.A NE GLU 407.A OE2 no hydrogen 3.045 N/A ARG 371.A NH1 ASP 403.A OD2 no hydrogen 2.414 N/A ARG 371.A NH2 GLU 407.A OE2 no hydrogen 2.852 N/A ARG 372.A N SER 263.A O no hydrogen 3.515 N/A ARG 372.A NE GLU 407.A OE1 no hydrogen 3.227 N/A ARG 372.A NH1 LEU 253.A O no hydrogen 2.490 N/A ARG 372.A NH1 GLU 256.A OE1 no hydrogen 3.037 N/A ARG 372.A NH2 GLU 256.A OE1 no hydrogen 2.794 N/A ARG 372.A NH2 GLU 407.A OE1 no hydrogen 3.086 N/A VAL 373.A N GLU 407.A O no hydrogen 3.152 N/A ILE 374.A N LEU 265.A O no hydrogen 2.817 N/A ILE 375.A N ILE 409.A O no hydrogen 3.099 N/A ARG 376.A N PHE 267.A O no hydrogen 3.125 N/A ARG 376.A NH1 ASP 246.A OD2 no hydrogen 2.898 N/A ARG 376.A NH2 ASP 246.A OD1 no hydrogen 2.923 N/A ARG 376.A NH2 ASP 246.A OD2 no hydrogen 3.198 N/A ARG 376.A NH2 ASP 248.A OD2 no hydrogen 2.434 N/A THR 377.A OG1 ILE 379.A O no hydrogen 2.732 N/A PHE 380.A N ARG 383.A O no hydrogen 2.843 N/A ARG 383.A N PHE 380.A O no hydrogen 3.074 N/A LEU 385.A N PRO 378.A O no hydrogen 2.898 N/A LEU 388.A N ASP 386.A OD1 no hydrogen 2.880 N/A TYR 390.A N ASP 386.A O no hydrogen 2.902 N/A TYR 390.A OH GLU 218.A OE1 no hydrogen 3.148 N/A LYS 391.A N ILE 387.A O no hydrogen 2.995 N/A GLN 392.A N THR 389.A O no hydrogen 2.869 N/A GLN 392.A NE2 GLU 150.A OE1 no hydrogen 3.357 N/A MET 393.A N THR 389.A O no hydrogen 2.692 N/A VAL 394.A N TYR 390.A O no hydrogen 2.954 N/A GLY 395.A N GLN 392.A O no hydrogen 3.092 N/A ARG 396.A N MET 393.A O no hydrogen 3.333 N/A ARG 396.A NE LEU 362.A O no hydrogen 2.859 N/A ARG 396.A NH1 ASN 367.A OD1 no hydrogen 2.967 N/A ARG 396.A NH2 LEU 362.A O no hydrogen 3.447 N/A ARG 396.A NH2 SER 363.A O no hydrogen 2.437 N/A ARG 399.A NH1 ARG 349.A O no hydrogen 3.352 N/A VAL 402.A N ARG 399.A O no hydrogen 3.131 N/A ASP 403.A N ARG 399.A O no hydrogen 3.498 N/A THR 404.A N ASP 403.A OD1 no hydrogen 2.770 N/A GLY 406.A N PRO 215.A O no hydrogen 2.816 N/A GLU 407.A N ARG 371.A O no hydrogen 2.923 N/A SER 408.A N LEU 217.A O no hydrogen 3.235 N/A ILE 409.A N VAL 373.A O no hydrogen 2.965 N/A LEU 410.A N SER 219.A O no hydrogen 3.475 N/A ILE 411.A N ILE 375.A O no hydrogen 3.030 N/A CYS 412.A N LYS 221.A O no hydrogen 3.171 N/A LYS 419.A N GLU 416.A O no hydrogen 2.876 N/A GLY 420.A N LYS 417.A O no hydrogen 2.893 N/A ILE 421.A N LYS 417.A O no hydrogen 3.299 N/A ALA 422.A N SER 418.A O no hydrogen 2.965 N/A LEU 423.A N GLY 420.A O no hydrogen 2.792 N/A LEU 424.A N GLY 420.A O no hydrogen 2.903 N/A GLN 425.A N ILE 421.A O no hydrogen 2.856 N/A GLN 425.A NE2 SER 229.A O no hydrogen 3.298 N/A CYS 434.A SG LEU 154.A O no hydrogen 3.892 N/A CYS 434.A SG GLY 155.A O no hydrogen 3.323 N/A CYS 434.A SG SER 157.A OG no hydrogen 3.479 N/A GLN 436.A N SER 433.A O no hydrogen 3.235 N/A ARG 437.A NE GLU 441.A O no hydrogen 2.812 N/A ARG 437.A NH2 GLU 439.A O no hydrogen 3.152 N/A ARG 437.A NH2 GLU 441.A O no hydrogen 2.473 N/A ARG 438.A N GLU 441.A OE1 no hydrogen 3.533 N/A ARG 438.A NH1 GLU 441.A OE2 no hydrogen 3.128 N/A GLU 441.A N ARG 438.A O no hydrogen 2.967 N/A THR 444.A OG1 CYS 434.A O no hydrogen 3.299 N/A SER 446.A OG CYS 434.A O no hydrogen 3.257 N/A MET 447.A N THR 444.A O no hydrogen 2.925 N/A ILE 448.A N THR 444.A O no hydrogen 3.132 N/A ARG 449.A N GLY 445.A O no hydrogen 3.023 N/A ARG 449.A NE GLU 453.A OE2 no hydrogen 3.124 N/A ALA 450.A N SER 446.A O no hydrogen 3.232 N/A ILE 451.A N MET 447.A O no hydrogen 2.911 N/A LEU 452.A N ILE 448.A O no hydrogen 2.956 N/A GLU 453.A N ARG 449.A O no hydrogen 2.995 N/A VAL 456.A N LEU 452.A O no hydrogen 3.015 N/A GLY 457.A N GLU 453.A O no hydrogen 3.157 N/A GLY 458.A N ILE 455.A O no hydrogen 2.742 N/A ALA 460.A N ILE 454.A O no hydrogen 3.244 N/A SER 461.A N ASP 465.A OD2 no hydrogen 3.298 N/A THR 462.A OG1 ASP 465.A OD2 no hydrogen 3.481 N/A ASP 465.A N THR 462.A OG1 no hydrogen 3.233 N/A MET 466.A N THR 462.A O no hydrogen 3.078 N/A HIS 467.A N SER 463.A O no hydrogen 3.222 N/A THR 468.A N GLN 464.A O no hydrogen 3.015 N/A THR 468.A OG1 GLN 464.A O no hydrogen 2.790 N/A TYR 469.A N ASP 465.A O no hydrogen 2.779 N/A ALA 470.A N MET 466.A O no hydrogen 3.085 N/A CYS 472.A N TYR 469.A O no hydrogen 2.714 N/A CYS 472.A SG THR 468.A O no hydrogen 3.866 N/A THR 473.A N ALA 470.A O no hydrogen 3.137 N/A THR 473.A OG1 ALA 470.A O no hydrogen 2.617 N/A ALA 476.A N THR 473.A OG1 no hydrogen 3.348 N/A SER 478.A N PHE 474.A O no hydrogen 2.978 N/A SER 478.A OG PHE 474.A O no hydrogen 2.993 N/A MET 479.A N LEU 475.A O no hydrogen 2.891 N/A LYS 480.A N ALA 477.A O no hydrogen 3.057 N/A ALA 485.A N VAL 481.A O no hydrogen 3.287 N/A ALA 488.A N GLY 484.A O no hydrogen 3.276 N/A CYS 489.A N ALA 485.A O no hydrogen 3.061 N/A CYS 489.A N ILE 486.A O no hydrogen 3.186 N/A CYS 489.A SG ALA 485.A O no hydrogen 3.162 N/A VAL 490.A N ILE 486.A O no hydrogen 3.153 N/A MET 491.A N GLU 487.A O no hydrogen 2.985 N/A TRP 492.A N ALA 488.A O no hydrogen 3.206 N/A LEU 493.A N CYS 489.A O no hydrogen 2.789 N/A LEU 494.A N VAL 490.A O no hydrogen 3.113 N/A GLU 495.A N MET 491.A O no hydrogen 2.876 N/A ASN 496.A N LEU 493.A O no hydrogen 2.979 N/A ASN 496.A ND2 TRP 492.A O no hydrogen 2.801 N/A GLU 497.A N LEU 494.A O no hydrogen 2.959 N/A PHE 498.A N LEU 493.A O no hydrogen 3.099 N/A GLN 500.A N HIS 509.A O no hydrogen 2.610 N/A THR 502.A N VAL 507.A O no hydrogen 2.775 N/A THR 502.A OG1 VAL 507.A O no hydrogen 2.890 N/A ALA 504.A N GLY 505.A O no hydrogen 3.317 N/A VAL 507.A N THR 502.A O no hydrogen 2.744 N/A TYR 508.A N SER 461.A O no hydrogen 3.048 N/A HIS 509.A N GLN 500.A O no hydrogen 3.030 N/A THR 511.A N PHE 498.A O no hydrogen 3.338 N/A THR 511.A OG1 GLU 497.A O no hydrogen 2.494 N/A GLY 514.A N THR 511.A OG1 no hydrogen 3.143 N/A SER 515.A N THR 511.A O no hydrogen 3.212 N/A ALA 516.A N HIS 512.A O no hydrogen 2.761 N/A THR 517.A N LEU 513.A O no hydrogen 3.080 N/A THR 517.A OG1 LEU 513.A O no hydrogen 2.768 N/A LEU 518.A N GLY 514.A O no hydrogen 2.946 N/A SER 519.A N SER 515.A O no hydrogen 2.913 N/A SER 519.A OG SER 515.A O no hydrogen 2.725 N/A SER 520.A N ALA 516.A O no hydrogen 3.032 N/A SER 520.A OG ALA 516.A O no hydrogen 2.837 N/A SER 520.A OG THR 517.A O no hydrogen 3.257 N/A SER 521.A N LEU 518.A O no hydrogen 2.985 N/A SER 521.A OG SER 520.A O no hydrogen 2.580 N/A LEU 522.A N SER 520.A OG no hydrogen 3.357 N/A ALA 525.A N SER 523.A OG no hydrogen 3.332 N/A THR 527.A N SER 523.A O no hydrogen 2.849 N/A THR 527.A OG1 SER 523.A O no hydrogen 2.992 N/A LEU 528.A N PRO 524.A O no hydrogen 3.416 N/A ASP 529.A N ASP 526.A O no hydrogen 2.906 N/A ILE 530.A N ASP 526.A O no hydrogen 2.996 N/A PHE 531.A N THR 527.A O no hydrogen 2.824 N/A ASP 533.A N ASP 529.A O no hydrogen 3.002 N/A LEU 534.A N ILE 530.A O no hydrogen 3.019 N/A GLN 535.A N PHE 531.A O no hydrogen 2.748 N/A ARG 536.A N ALA 532.A O no hydrogen 3.056 N/A ALA 537.A N LEU 534.A O no hydrogen 2.848 N/A VAL 542.A N HIS 548.A ND1 no hydrogen 3.342 N/A ASN 545.A ND2 SER 578.A O no hydrogen 2.869 N/A ASN 545.A ND2 SER 578.A OG no hydrogen 3.187 N/A LEU 547.A N ASN 545.A OD1 no hydrogen 2.789 N/A LEU 550.A N ASP 546.A O no hydrogen 2.693 N/A TYR 551.A N LEU 547.A O no hydrogen 3.000 N/A LEU 552.A N HIS 548.A O no hydrogen 3.147 N/A VAL 553.A N ILE 549.A O no hydrogen 3.250 N/A VAL 553.A N LEU 550.A O no hydrogen 2.868 N/A THR 554.A OG1 LEU 550.A O no hydrogen 2.574 N/A THR 554.A OG1 SER 621.A OG no hydrogen 2.369 N/A MET 556.A N TYR 657.A OH no hydrogen 3.470 N/A THR 561.A OG1 THR 562.A O no hydrogen 2.962 N/A ARG 567.A NH1 GLN 638.A O no hydrogen 2.836 N/A ARG 567.A NH2 GLN 638.A O no hydrogen 2.418 N/A PHE 568.A N ASP 564.A O no hydrogen 3.031 N/A PHE 569.A N TRP 565.A O no hydrogen 2.829 N/A CYS 570.A N TYR 566.A O no hydrogen 3.013 N/A CYS 570.A SG TYR 566.A O no hydrogen 3.113 N/A LEU 571.A N ARG 567.A O no hydrogen 2.934 N/A TRP 572.A N PHE 568.A O no hydrogen 2.823 N/A GLU 573.A N PHE 569.A O no hydrogen 2.962 N/A LYS 574.A N LEU 571.A O no hydrogen 2.868 N/A THR 577.A N GLU 754.A OE2 no hydrogen 2.603 N/A SER 578.A N GLU 754.A OE1 no hydrogen 2.769 N/A SER 578.A OG GLU 544.A OE1 no hydrogen 2.491 N/A MET 579.A N PRO 576.A O no hydrogen 2.769 N/A LYS 580.A N PRO 576.A O no hydrogen 2.642 N/A ARG 581.A N THR 577.A O no hydrogen 2.962 N/A ALA 583.A N MET 579.A O no hydrogen 3.002 N/A GLU 584.A N LYS 580.A O no hydrogen 3.111 N/A LEU 585.A N ARG 581.A O no hydrogen 2.894 N/A VAL 586.A N ALA 583.A O no hydrogen 3.283 N/A GLY 587.A N GLU 584.A O no hydrogen 2.963 N/A VAL 588.A N ALA 583.A O no hydrogen 3.038 N/A GLU 589.A N HIS 615.A NE2 no hydrogen 3.084 N/A LEU 593.A N GLU 589.A O no hydrogen 3.041 N/A ALA 594.A N GLU 590.A O no hydrogen 2.964 N/A ARG 595.A N GLY 591.A O no hydrogen 3.115 N/A ARG 595.A NH2 GLN 611.A OE1 no hydrogen 3.066 N/A CYS 596.A N PHE 592.A O no hydrogen 2.912 N/A CYS 596.A SG PHE 592.A O no hydrogen 3.727 N/A VAL 597.A N LEU 593.A O no hydrogen 2.860 N/A LYS 598.A N ALA 594.A O no hydrogen 2.840 N/A GLY 599.A N ARG 595.A O no hydrogen 2.600 N/A HIS 609.A N THR 605.A O no hydrogen 2.560 N/A ARG 610.A N GLU 606.A O no hydrogen 3.199 N/A ARG 610.A N ARG 607.A O no hydrogen 3.074 N/A ARG 610.A NE ASP 529.A OD1 no hydrogen 2.644 N/A ARG 610.A NH2 ASP 533.A OD1 no hydrogen 2.816 N/A GLN 611.A N ARG 607.A O no hydrogen 2.959 N/A MET 612.A N GLN 608.A O no hydrogen 3.154 N/A ALA 613.A N ARG 610.A O no hydrogen 2.675 N/A ILE 614.A N ARG 610.A O no hydrogen 2.563 N/A HIS 615.A N GLN 611.A O no hydrogen 3.432 N/A HIS 615.A ND1 GLN 611.A O no hydrogen 2.696 N/A LYS 616.A NZ MET 612.A O no hydrogen 2.534 N/A ARG 617.A NE THR 554.A O no hydrogen 2.960 N/A ARG 617.A NH1 ASP 533.A OD2 no hydrogen 2.819 N/A ARG 617.A NH2 THR 554.A O no hydrogen 3.191 N/A PHE 618.A N ILE 614.A O no hydrogen 2.973 N/A PHE 619.A N HIS 615.A O no hydrogen 2.919 N/A THR 620.A OG1 LYS 616.A O no hydrogen 3.127 N/A SER 621.A N ARG 617.A O no hydrogen 3.119 N/A SER 621.A OG THR 554.A OG1 no hydrogen 2.369 N/A SER 621.A OG ARG 617.A O no hydrogen 3.103 N/A LEU 622.A N PHE 618.A O no hydrogen 2.985 N/A LEU 624.A N THR 620.A O no hydrogen 3.247 N/A LEU 625.A N SER 621.A O no hydrogen 2.884 N/A ASP 626.A N LEU 622.A O no hydrogen 3.086 N/A LEU 627.A N VAL 623.A O no hydrogen 3.021 N/A ILE 628.A N LEU 624.A O no hydrogen 3.082 N/A SER 629.A N LEU 625.A O no hydrogen 2.779 N/A SER 629.A OG LEU 625.A O no hydrogen 2.595 N/A GLU 630.A N LEU 627.A O no hydrogen 2.926 N/A VAL 631.A N ASP 626.A O no hydrogen 2.992 N/A GLU 635.A N PRO 632.A O no hydrogen 2.884 N/A ILE 636.A N PRO 632.A O no hydrogen 2.958 N/A ASN 637.A N LEU 633.A O no hydrogen 2.934 N/A LYS 639.A N GLU 635.A O no hydrogen 2.541 N/A LYS 639.A NZ GLU 635.A OE2 no hydrogen 3.407 N/A TYR 640.A N ILE 636.A O no hydrogen 2.906 N/A TYR 640.A OH ASP 626.A OD2 no hydrogen 2.702 N/A GLY 641.A N ASN 637.A O no hydrogen 3.293 N/A CYS 642.A SG ASN 643.A O no hydrogen 3.432 N/A CYS 642.A SG GLN 646.A OE1 no hydrogen 3.149 N/A ASN 643.A N GLN 646.A OE1 no hydrogen 3.250 N/A ARG 644.A NE GLU 340.A OE1 no hydrogen 3.215 N/A ARG 644.A NH2 ASP 318.A OD2 no hydrogen 2.486 N/A ARG 644.A NH2 GLU 340.A OE2 no hydrogen 3.329 N/A GLY 645.A N ASN 643.A OD1 no hydrogen 3.320 N/A GLN 646.A N ASN 643.A O no hydrogen 2.934 N/A ILE 647.A N ASN 643.A O no hydrogen 3.343 N/A SER 649.A OG GLN 646.A O no hydrogen 2.563 N/A LEU 650.A N GLN 646.A O no hydrogen 2.890 N/A GLN 651.A N ILE 647.A O no hydrogen 2.900 N/A GLN 652.A N GLN 648.A O no hydrogen 3.277 N/A SER 653.A N SER 649.A O no hydrogen 2.822 N/A SER 653.A OG SER 649.A O no hydrogen 2.700 N/A ALA 654.A N LEU 650.A O no hydrogen 2.788 N/A ALA 655.A N GLN 651.A O no hydrogen 3.325 N/A VAL 656.A N SER 653.A O no hydrogen 2.895 N/A TYR 657.A N SER 653.A O no hydrogen 2.928 N/A ALA 658.A N ALA 654.A O no hydrogen 3.110 N/A GLY 659.A N VAL 656.A O no hydrogen 2.860 N/A MET 660.A N VAL 656.A O no hydrogen 2.897 N/A ILE 661.A N TYR 657.A O no hydrogen 2.977 N/A THR 662.A OG1 ALA 658.A O no hydrogen 2.838 N/A PHE 664.A N MET 660.A O no hydrogen 2.864 N/A SER 665.A N ILE 661.A O no hydrogen 2.859 N/A SER 665.A OG ILE 661.A O no hydrogen 3.047 N/A ASN 666.A N THR 662.A O no hydrogen 2.911 N/A ASN 666.A ND2 GLU 674.A OE1 no hydrogen 3.221 N/A ASN 666.A ND2 GLU 674.A OE2 no hydrogen 2.964 N/A ARG 667.A N VAL 663.A O no hydrogen 3.108 N/A ARG 667.A N PHE 664.A O no hydrogen 3.146 N/A ARG 667.A NH1 SER 519.A OG no hydrogen 2.656 N/A LEU 668.A N PHE 664.A O no hydrogen 3.062 N/A GLY 669.A N ASN 666.A O no hydrogen 2.934 N/A HIS 671.A N GLY 669.A O no hydrogen 2.756 N/A HIS 671.A ND1 GLU 674.A OE1 no hydrogen 3.012 N/A MET 673.A N TRP 670.A O no hydrogen 2.740 N/A GLU 674.A N TRP 670.A O no hydrogen 3.003 N/A LEU 675.A N HIS 671.A O no hydrogen 3.214 N/A LEU 676.A N MET 673.A O no hydrogen 3.220 N/A LEU 677.A N MET 673.A O no hydrogen 3.152 N/A SER 678.A N GLU 674.A O no hydrogen 2.729 N/A GLN 679.A N LEU 676.A O no hydrogen 3.172 N/A PHE 680.A N LEU 676.A O no hydrogen 2.974 N/A GLN 681.A N LEU 677.A O no hydrogen 2.803 N/A LYS 682.A N GLN 679.A O no hydrogen 3.348 N/A LYS 682.A NZ GLN 681.A OE1 no hydrogen 2.945 N/A ARG 683.A N PHE 680.A O no hydrogen 2.913 N/A ARG 683.A NH1 ASP 546.A OD1 no hydrogen 2.745 N/A ARG 683.A NH1 ASP 546.A OD2 no hydrogen 2.923 N/A ARG 683.A NH2 ASP 546.A OD2 no hydrogen 2.778 N/A LEU 684.A N GLN 681.A O no hydrogen 3.203 N/A THR 685.A OG1 LEU 684.A O no hydrogen 2.687 N/A LEU 692.A N GLN 689.A O no hydrogen 3.179 N/A VAL 696.A N LEU 692.A O no hydrogen 2.939 N/A VAL 698.A N LEU 695.A O no hydrogen 2.896 N/A SER 699.A OG ILE 774.A O no hydrogen 3.374 N/A ALA 706.A N ASN 702.A O no hydrogen 2.559 N/A ARG 707.A N ALA 703.A O no hydrogen 2.646 N/A VAL 708.A N GLN 704.A O no hydrogen 2.692 N/A LEU 709.A N ALA 706.A O no hydrogen 2.850 N/A TYR 710.A N ALA 706.A O no hydrogen 3.454 N/A TYR 710.A OH GLU 691.A OE1 no hydrogen 2.362 N/A ALA 711.A N ARG 707.A O no hydrogen 2.600 N/A SER 712.A N LEU 709.A O no hydrogen 2.825 N/A SER 712.A OG LEU 709.A O no hydrogen 2.476 N/A SER 712.A OG HIS 715.A NE2 no hydrogen 2.958 N/A GLY 713.A N TYR 710.A O no hydrogen 2.855 N/A THR 716.A N ASP 719.A OD2 no hydrogen 2.539 N/A THR 716.A OG1 ASP 719.A OD2 no hydrogen 2.710 N/A ASP 719.A N THR 716.A O no hydrogen 2.771 N/A LEU 720.A N THR 716.A O no hydrogen 2.784 N/A ALA 721.A N VAL 717.A O no hydrogen 2.896 N/A ARG 722.A N ASP 719.A O no hydrogen 2.902 N/A ARG 722.A NH1 ASP 719.A OD1 no hydrogen 2.967 N/A ARG 722.A NH2 ASP 719.A OD1 no hydrogen 2.570 N/A ALA 723.A N ASP 719.A O no hydrogen 3.121 N/A VAL 726.A N ASN 724.A OD1 no hydrogen 2.695 N/A VAL 728.A N ASN 724.A O no hydrogen 2.893 N/A GLU 729.A N ILE 725.A O no hydrogen 2.912 N/A VAL 730.A N VAL 726.A O no hydrogen 3.004 N/A ILE 731.A N GLU 727.A O no hydrogen 2.931 N/A LEU 732.A N VAL 728.A O no hydrogen 2.720 N/A LYS 733.A N GLU 729.A O no hydrogen 2.876 N/A LYS 733.A NZ GLU 729.A OE2 no hydrogen 3.057 N/A ASN 734.A N VAL 730.A O no hydrogen 2.815 N/A ALA 735.A N LEU 732.A O no hydrogen 2.831 N/A ALA 744.A N GLU 747.A OE1 no hydrogen 2.893 N/A GLU 750.A N GLU 750.A OE1 no hydrogen 2.605 N/A ALA 751.A N GLU 748.A O no hydrogen 2.979 N/A VAL 752.A N GLU 748.A O no hydrogen 3.374 N/A GLU 753.A N GLU 749.A O no hydrogen 2.993 N/A ARG 755.A NH1 SER 740.A O no hydrogen 2.416 N/A ARG 755.A NH1 ARG 742.A O no hydrogen 3.253 N/A ARG 755.A NH2 GLU 747.A OE2 no hydrogen 2.772 N/A ARG 756.A N VAL 752.A O no hydrogen 3.250 N/A ARG 756.A NH2 ALA 741.A O no hydrogen 3.406 N/A ASN 757.A N GLU 753.A O no hydrogen 3.083 N/A ASN 757.A N GLU 754.A O no hydrogen 3.006 N/A MET 758.A N GLU 754.A O no hydrogen 2.655 N/A ARG 759.A NH1 LYS 739.A O no hydrogen 3.125 N/A THR 760.A N ASN 757.A O no hydrogen 2.878 N/A THR 760.A OG1 ASN 757.A O no hydrogen 2.758 N/A ILE 761.A N LEU 765.A O no hydrogen 3.049 N/A LEU 765.A N ILE 761.A O no hydrogen 3.050 N/A GLU 767.A N GLU 767.A OE1 no hydrogen 2.601 N/A GLU 769.A N THR 766.A O no hydrogen 3.008 N/A ALA 770.A N THR 766.A O no hydrogen 2.970 N/A ALA 771.A N GLU 767.A O no hydrogen 2.819 N/A ALA 772.A N GLU 769.A O no hydrogen 3.007 N/A LEU 773.A N GLU 769.A O no hydrogen 3.067 N/A ILE 774.A N ALA 770.A O no hydrogen 2.858 N/A GLU 776.A N ALA 772.A O no hydrogen 2.878 N/A GLU 777.A N LEU 773.A O no hydrogen 2.656 N/A ALA 778.A N ILE 774.A O no hydrogen 3.053 N/A ARG 779.A N VAL 775.A O no hydrogen 2.800 N/A MET 780.A N GLU 776.A O no hydrogen 2.926 N/A ILE 781.A N GLU 777.A O no hydrogen 2.948 N/A LEU 782.A N ALA 778.A O no hydrogen 2.740 N/A GLN 783.A N ARG 779.A O no hydrogen 2.830 N/A GLN 784.A N MET 780.A O no hydrogen 3.305 N/A GLN 784.A N ILE 781.A O no hydrogen 2.886 N/A ASP 785.A N ILE 781.A O no hydrogen 2.698 N/A LEU 786.A N LEU 782.A O no hydrogen 2.768 N/A