Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fn9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N GLU 270.A OE1 no hydrogen 3.266 N/A ARG 3.A N GLU 270.A OE2 no hydrogen 3.142 N/A ARG 3.A NE ASP 269.A OD1 no hydrogen 2.757 N/A ARG 3.A NH2 ILE 163.A O no hydrogen 3.070 N/A ARG 3.A NH2 ASP 269.A OD1 no hydrogen 3.072 N/A ARG 3.A NH2 ASP 269.A OD2 no hydrogen 2.726 N/A GLN 4.A N VAL 157.A O no hydrogen 3.160 N/A THR 6.A N LEU 155.A O no hydrogen 2.910 N/A PHE 8.A N VAL 153.A O no hydrogen 2.773 N/A TRP 12.A NE1 PHE 8.A O no hydrogen 2.733 N/A GLN 13.A N ARG 63.A O no hydrogen 2.738 N/A PHE 14.A N GLU 35.A O no hydrogen 2.496 N/A LYS 15.A N TYR 61.A O no hydrogen 2.909 N/A GLY 17.A N ALA 59.A O no hydrogen 3.083 N/A ARG 25.A N ASP 22.A OD2 no hydrogen 2.925 N/A ALA 26.A N ASP 22.A O no hydrogen 2.841 N/A ALA 27.A N PRO 23.A O no hydrogen 2.668 N/A SER 28.A N MET 24.A O no hydrogen 3.206 N/A SER 28.A OG MET 24.A O no hydrogen 3.462 N/A GLN 29.A N ARG 25.A O no hydrogen 3.046 N/A TRP 30.A N ALA 26.A O no hydrogen 2.714 N/A ASP 31.A N ALA 27.A O no hydrogen 2.806 N/A GLY 32.A N GLN 29.A O no hydrogen 3.296 N/A LYS 33.A NZ TRP 34.A O no hydrogen 2.865 N/A TRP 34.A NE1 TRP 30.A O no hydrogen 3.108 N/A GLU 35.A N PHE 14.A O no hydrogen 2.771 N/A VAL 37.A N TRP 12.A O no hydrogen 3.096 N/A ILE 39.A N ASN 9.A O no hydrogen 3.304 N/A HIS 41.A N ILE 149.A O no hydrogen 3.026 N/A HIS 41.A ND1 TYR 62.A OH no hydrogen 2.558 N/A THR 42.A OG1 GLY 147.A O no hydrogen 2.477 N/A TRP 43.A N GLY 147.A O no hydrogen 3.222 N/A ASN 44.A N THR 42.A OG1 no hydrogen 3.023 N/A ASN 44.A ND2 ASP 47.A OD1 no hydrogen 3.090 N/A ASN 44.A ND2 TYR 56.A O no hydrogen 2.897 N/A MET 48.A N ASN 44.A O no hydrogen 2.996 N/A GLN 49.A N MET 46.A O no hydrogen 2.873 N/A GLN 49.A NE2 TYR 146.A OH no hydrogen 3.423 N/A GLN 49.A NE2 TRP 306.A O no hydrogen 2.648 N/A VAL 50.A N MET 46.A O no hydrogen 2.975 N/A GLN 51.A NE2 ASP 47.A O no hydrogen 3.263 N/A GLY 53.A N PRO 543.A O no hydrogen 2.523 N/A TYR 56.A N ASP 47.A OD2 no hydrogen 2.654 N/A TYR 56.A OH ALA 59.A O no hydrogen 2.709 N/A GLY 58.A N ASN 129.A OD1 no hydrogen 3.028 N/A GLY 60.A N ALA 127.A O no hydrogen 2.754 N/A TYR 61.A N LYS 15.A O no hydrogen 3.039 N/A TYR 62.A N VAL 125.A O no hydrogen 2.858 N/A TYR 62.A OH HIS 41.A ND1 no hydrogen 2.558 N/A ARG 63.A N GLN 13.A O no hydrogen 2.829 N/A ARG 63.A NH2 GLN 13.A OE1 no hydrogen 2.879 N/A LYS 64.A N ILE 123.A O no hydrogen 2.980 N/A LYS 64.A NZ THR 10.A O no hydrogen 2.558 N/A GLN 66.A N ASN 121.A O no hydrogen 2.838 N/A GLN 66.A NE2 PHE 67.A O no hydrogen 2.543 N/A PHE 68.A N ALA 119.A O no hydrogen 3.269 N/A LEU 72.A N PRO 69.A O no hydrogen 3.433 N/A GLU 73.A N HIS 70.A O no hydrogen 3.088 N/A LYS 75.A N LEU 72.A O no hydrogen 2.726 N/A LYS 75.A NZ GLU 159.A OE2 no hydrogen 2.899 N/A ARG 76.A N THR 158.A O no hydrogen 3.131 N/A ARG 76.A NE GLU 110.A OE2 no hydrogen 3.070 N/A ARG 76.A NH1 ASP 194.A OD2 no hydrogen 2.994 N/A ARG 76.A NH2 GLU 110.A OE1 no hydrogen 2.563 N/A ARG 76.A NH2 ASP 194.A OD2 no hydrogen 3.405 N/A PHE 78.A N ILE 156.A O no hydrogen 2.758 N/A LEU 79.A N CYS 109.A O no hydrogen 3.098 N/A ARG 80.A N TRP 154.A O no hydrogen 2.882 N/A ARG 80.A NE ALA 169.A O no hydrogen 2.978 N/A ARG 80.A NH2 ALA 169.A O no hydrogen 2.321 N/A PHE 81.A N PHE 107.A O no hydrogen 2.811 N/A GLU 82.A N PRO 152.A O no hydrogen 3.183 N/A GLY 85.A N GLY 148.A O no hydrogen 3.012 N/A ALA 86.A N ASP 128.A O no hydrogen 2.723 N/A CYS 87.A N ASP 128.A O no hydrogen 2.946 N/A ALA 88.A N HIS 100.A O no hydrogen 2.620 N/A GLU 89.A N LYS 126.A O no hydrogen 2.808 N/A VAL 90.A N GLY 98.A O no hydrogen 3.026 N/A TYR 91.A N ILE 124.A O no hydrogen 2.764 N/A TYR 91.A OH GLU 89.A OE1 no hydrogen 2.538 N/A VAL 92.A N LYS 95.A O no hydrogen 2.754 N/A ASN 93.A N GLU 122.A O no hydrogen 2.806 N/A LYS 95.A N VAL 92.A O no hydrogen 2.709 N/A ALA 97.A N VAL 90.A O no hydrogen 2.678 N/A HIS 100.A N ALA 88.A O no hydrogen 2.977 N/A HIS 100.A NE2 GLU 379.A OE1 no hydrogen 3.148 N/A GLY 102.A N ALA 86.A O no hydrogen 2.875 N/A SER 105.A OG HIS 100.A NE2 no hydrogen 2.889 N/A SER 105.A OG GLU 379.A OE1 no hydrogen 2.974 N/A ALA 106.A N GLN 383.A OE1 no hydrogen 2.844 N/A PHE 107.A N PHE 81.A O no hydrogen 2.779 N/A CYS 109.A N LEU 79.A O no hydrogen 3.093 N/A ILE 111.A N VAL 77.A O no hydrogen 2.767 N/A GLY 112.A N VAL 77.A O no hydrogen 3.088 N/A ALA 114.A N ILE 111.A O no hydrogen 2.750 N/A LEU 115.A N GLY 112.A O no hydrogen 2.944 N/A LYS 116.A N ASN 121.A OD1 no hydrogen 2.615 N/A GLY 118.A N PHE 68.A O no hydrogen 2.763 N/A ASN 121.A N GLN 66.A O no hydrogen 2.844 N/A ASN 121.A ND2 GLN 66.A O no hydrogen 3.682 N/A ASN 121.A ND2 LYS 116.A O no hydrogen 2.952 N/A ILE 123.A N LYS 64.A O no hydrogen 2.843 N/A ILE 124.A N TYR 91.A O no hydrogen 3.007 N/A VAL 125.A N TYR 62.A O no hydrogen 2.893 N/A LYS 126.A N GLU 89.A O no hydrogen 2.762 N/A LYS 126.A NZ TYR 61.A OH no hydrogen 3.159 N/A ALA 127.A N GLY 60.A O no hydrogen 2.886 N/A ASP 128.A N CYS 87.A O no hydrogen 3.021 N/A ASN 129.A N GLY 58.A O no hydrogen 3.204 N/A ASN 129.A ND2 ASN 44.A OD1 no hydrogen 2.690 N/A ASN 129.A ND2 VAL 145.A O no hydrogen 2.752 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 2.622 N/A ALA 131.A N GLU 57.A OE1 no hydrogen 2.797 N/A ARG 132.A NE ASP 134.A OD1 no hydrogen 2.881 N/A ARG 132.A NH2 ASP 134.A OD1 no hydrogen 3.383 N/A ARG 132.A NH2 ASP 134.A OD2 no hydrogen 2.847 N/A VAL 135.A N ARG 132.A O no hydrogen 3.120 N/A ILE 136.A N ASN 372.A OD1 no hydrogen 3.021 N/A ASN 139.A ND2 ASN 363.A OD1 no hydrogen 3.266 N/A GLN 140.A NE2 GLU 57.A OE1 no hydrogen 3.027 N/A GLN 140.A NE2 ASN 129.A O no hydrogen 3.223 N/A ASN 141.A N ASN 139.A OD1 no hydrogen 2.966 N/A VAL 145.A N GLN 140.A OE1 no hydrogen 2.896 N/A TYR 146.A N GLY 144.A O no hydrogen 2.913 N/A TYR 146.A OH ASP 305.A OD2 no hydrogen 3.001 N/A GLY 147.A N ASN 44.A OD1 no hydrogen 2.938 N/A GLY 148.A N GLY 85.A O no hydrogen 3.001 N/A ILE 149.A N TYR 62.A OH no hydrogen 2.947 N/A TYR 150.A OH GLY 103.A O no hydrogen 2.553 N/A ARG 151.A N GLY 83.A O no hydrogen 3.482 N/A ARG 151.A NH1 GLU 82.A O no hydrogen 3.118 N/A ARG 151.A NH1 TYR 104.A O no hydrogen 2.745 N/A ARG 151.A NH2 GLN 304.A OE1 no hydrogen 3.096 N/A ARG 151.A NH2 GLN 339.A O no hydrogen 2.967 N/A VAL 153.A N ASN 9.A OD1 no hydrogen 2.738 N/A TRP 154.A N ARG 80.A O no hydrogen 2.842 N/A TRP 154.A NE1 GLU 82.A OE1 no hydrogen 2.703 N/A LEU 155.A N THR 6.A O no hydrogen 2.843 N/A ILE 156.A N PHE 78.A O no hydrogen 2.930 N/A VAL 157.A N GLN 4.A O no hydrogen 2.768 N/A THR 158.A N ARG 76.A O no hydrogen 2.923 N/A ASN 162.A N ASP 194.A O no hydrogen 2.993 N/A ASN 162.A ND2 THR 158.A OG1 no hydrogen 2.941 N/A ILE 163.A N ASP 269.A OD2 no hydrogen 2.769 N/A THR 164.A N LYS 192.A O no hydrogen 2.974 N/A THR 166.A N THR 164.A OG1 no hydrogen 3.067 N/A SER 170.A N ASP 167.A O no hydrogen 2.947 N/A SER 170.A OG ASP 167.A O no hydrogen 2.924 N/A SER 170.A OG TYR 174.A OH no hydrogen 2.916 N/A GLY 172.A N SER 170.A OG no hydrogen 3.046 N/A TYR 174.A N LYS 190.A O no hydrogen 2.862 N/A TYR 174.A OH ASP 167.A OD2 no hydrogen 2.483 N/A ILE 175.A N ASN 386.A OD1 no hydrogen 2.957 N/A THR 176.A N THR 188.A O no hydrogen 2.912 N/A GLN 177.A NE2 GLY 276.A O no hydrogen 2.767 N/A LYS 178.A N ASP 186.A O no hydrogen 2.984 N/A SER 181.A N SER 184.A O no hydrogen 3.008 N/A LYS 183.A N SER 181.A OG no hydrogen 3.109 N/A ALA 185.A N LEU 240.A O no hydrogen 3.219 N/A ASP 186.A N LYS 178.A O no hydrogen 3.065 N/A ILE 187.A N PHE 238.A O no hydrogen 2.931 N/A THR 188.A N THR 176.A O no hydrogen 3.193 N/A VAL 189.A N SER 236.A O no hydrogen 2.951 N/A LYS 190.A N TYR 174.A O no hydrogen 2.849 N/A VAL 191.A N TYR 234.A O no hydrogen 2.798 N/A LYS 192.A N GLY 172.A O no hydrogen 3.232 N/A LYS 192.A NZ ASP 167.A OD2 no hydrogen 3.328 N/A LEU 193.A N GLN 232.A O no hydrogen 2.743 N/A ASP 194.A N ASN 162.A O no hydrogen 2.885 N/A ASN 195.A ND2 GLN 199.A O no hydrogen 3.020 N/A ASN 195.A ND2 LEU 226.A O no hydrogen 2.871 N/A ALA 196.A N GLN 160.A O no hydrogen 3.012 N/A GLY 197.A N ASN 195.A OD1 no hydrogen 2.666 N/A ALA 201.A N LEU 226.A O no hydrogen 2.943 N/A VAL 203.A N PHE 224.A O no hydrogen 2.987 N/A THR 204.A N MET 262.A O no hydrogen 2.884 N/A THR 204.A OG1 SER 223.A OG no hydrogen 2.505 N/A LEU 205.A N ARG 222.A O no hydrogen 2.671 N/A GLU 206.A N ARG 260.A O no hydrogen 2.870 N/A ASN 207.A N HIS 220.A O no hydrogen 2.843 N/A ASN 207.A ND2 SER 236.A OG no hydrogen 2.798 N/A THR 208.A N VAL 258.A O no hydrogen 2.766 N/A THR 208.A OG1 THR 219.A OG1 no hydrogen 3.387 N/A ILE 209.A N GLY 218.A O no hydrogen 2.974 N/A TYR 210.A N LYS 256.A O no hydrogen 2.816 N/A THR 211.A N GLN 215.A O no hydrogen 2.860 N/A THR 211.A OG1 GLN 215.A O no hydrogen 3.501 N/A GLN 212.A N TYR 253.A OH no hydrogen 2.742 N/A GLU 213.A N THR 211.A OG1 no hydrogen 3.296 N/A GLY 214.A N THR 211.A O no hydrogen 2.745 N/A GLN 215.A N THR 211.A OG1 no hydrogen 3.106 N/A VAL 217.A N ILE 209.A O no hydrogen 2.747 N/A THR 219.A OG1 THR 208.A OG1 no hydrogen 3.387 N/A HIS 220.A N ASN 207.A O no hydrogen 2.682 N/A HIS 220.A ND1 SER 236.A OG no hydrogen 2.741 N/A ARG 222.A N LEU 205.A O no hydrogen 3.000 N/A ARG 222.A NH2 LEU 235.A O no hydrogen 3.143 N/A SER 223.A OG THR 204.A OG1 no hydrogen 2.505 N/A PHE 224.A N VAL 203.A O no hydrogen 3.036 N/A LEU 226.A N ALA 201.A O no hydrogen 2.583 N/A GLN 229.A N SER 227.A OG no hydrogen 3.102 N/A THR 231.A OG1 ASP 194.A OD1 no hydrogen 2.768 N/A GLN 232.A N LEU 193.A O no hydrogen 2.833 N/A TYR 234.A N VAL 191.A O no hydrogen 2.766 N/A SER 236.A N VAL 189.A O no hydrogen 2.782 N/A SER 236.A OG HIS 220.A ND1 no hydrogen 2.741 N/A PHE 238.A N ILE 187.A O no hydrogen 2.832 N/A LEU 240.A N ALA 185.A O no hydrogen 3.027 N/A ASN 242.A N LYS 183.A O no hydrogen 2.495 N/A ASN 242.A ND2 LYS 182.A O no hydrogen 3.627 N/A HIS 244.A N TYR 255.A OH no hydrogen 2.844 N/A HIS 244.A NE2 ASP 251.A OD2 no hydrogen 2.505 N/A TRP 246.A N VAL 277.A O no hydrogen 2.733 N/A TRP 246.A NE1 ASP 349.A O no hydrogen 2.709 N/A GLN 247.A N ASP 251.A O no hydrogen 2.813 N/A GLN 247.A NE2 LEU 290.A O no hydrogen 3.249 N/A ARG 249.A N TYR 295.A OH no hydrogen 3.021 N/A ARG 249.A NH1 MET 326.A O no hydrogen 2.880 N/A ARG 249.A NH1 ALA 330.A O no hydrogen 3.002 N/A ARG 249.A NH2 MET 326.A O no hydrogen 3.390 N/A TYR 253.A N ASP 251.A O no hydrogen 2.690 N/A TYR 253.A OH GLU 213.A OE2 no hydrogen 3.008 N/A LEU 254.A N GLN 212.A OE1 no hydrogen 3.055 N/A TYR 255.A N LEU 275.A O no hydrogen 2.778 N/A LYS 256.A N TYR 210.A O no hydrogen 3.121 N/A VAL 257.A N GLN 273.A O no hydrogen 2.640 N/A VAL 258.A N THR 208.A O no hydrogen 2.873 N/A CYS 259.A N VAL 271.A O no hydrogen 2.876 N/A CYS 259.A SG ASN 207.A OD1 no hydrogen 3.374 N/A ARG 260.A N GLU 206.A O no hydrogen 2.855 N/A ARG 260.A NH1 TYR 210.A OH no hydrogen 3.258 N/A ARG 260.A NH2 TYR 210.A OH no hydrogen 3.302 N/A LEU 261.A N ASP 269.A O no hydrogen 2.652 N/A MET 262.A N THR 204.A O no hydrogen 2.932 N/A ALA 263.A N LYS 266.A O no hydrogen 2.894 N/A LYS 266.A N ALA 263.A O no hydrogen 3.290 N/A ILE 268.A N LEU 261.A O no hydrogen 2.873 N/A ASP 269.A N LEU 261.A O no hydrogen 3.316 N/A VAL 271.A N CYS 259.A O no hydrogen 2.875 N/A GLN 273.A N VAL 257.A O no hydrogen 2.736 N/A GLN 273.A NE2 VAL 272.A O no hydrogen 3.269 N/A LEU 275.A N TYR 255.A O no hydrogen 2.845 N/A ARG 278.A N GLN 177.A OE1 no hydrogen 2.891 N/A ARG 278.A NE PRO 388.A O no hydrogen 2.835 N/A ARG 278.A NH1 GLN 177.A OE1 no hydrogen 3.566 N/A ARG 278.A NH1 ARG 278.A O no hydrogen 3.175 N/A ARG 278.A NH2 PRO 388.A O no hydrogen 3.001 N/A LYS 279.A N ASN 291.A OD1 no hydrogen 3.019 N/A TYR 280.A OH PRO 388.A O no hydrogen 2.874 N/A GLU 281.A N PHE 289.A O no hydrogen 2.865 N/A ILE 282.A N TYR 425.A OH no hydrogen 2.840 N/A VAL 283.A N GLY 287.A O no hydrogen 2.996 N/A LYS 286.A N VAL 283.A O no hydrogen 2.856 N/A GLY 287.A N VAL 283.A O no hydrogen 3.040 N/A PHE 289.A N GLU 281.A O no hydrogen 2.619 N/A LEU 290.A N GLU 293.A O no hydrogen 2.825 N/A ASN 291.A N LYS 279.A O no hydrogen 2.973 N/A ASN 291.A ND2 TRP 246.A O no hydrogen 3.189 N/A ASN 291.A ND2 GLN 247.A OE1 no hydrogen 2.704 N/A GLU 293.A N LEU 290.A O no hydrogen 3.148 N/A TYR 295.A N PHE 288.A O no hydrogen 2.925 N/A SER 296.A OG TYR 298.A OH no hydrogen 3.311 N/A TYR 298.A N THR 331.A OG1 no hydrogen 3.301 N/A GLY 299.A N SER 532.A O no hydrogen 3.035 N/A VAL 300.A N THR 332.A O no hydrogen 3.216 N/A THR 301.A OG1 LEU 534.A O no hydrogen 2.467 N/A THR 301.A OG1 ASN 536.A OD1 no hydrogen 3.321 N/A ARG 302.A NE ASP 321.A OD2 no hydrogen 3.009 N/A ARG 302.A NH1 GLN 340.A OE1 no hydrogen 3.002 N/A ARG 302.A NH2 HIS 318.A ND1 no hydrogen 2.908 N/A ARG 302.A NH2 ASP 321.A OD2 no hydrogen 3.014 N/A HIS 303.A ND1 TYR 338.A OH no hydrogen 3.012 N/A GLN 304.A N TYR 338.A OH no hydrogen 2.970 N/A ASP 305.A N ASP 305.A OD1 no hydrogen 2.412 N/A TRP 306.A N GLY 310.A O no hydrogen 2.969 N/A TRP 306.A NE1 ASP 321.A OD2 no hydrogen 3.174 N/A TRP 307.A N PHE 561.A O no hydrogen 3.347 N/A GLY 308.A N GLN 49.A OE1 no hydrogen 2.290 N/A LEU 309.A N TRP 306.A O no hydrogen 3.297 N/A ALA 312.A N LEU 309.A O no hydrogen 3.187 N/A LYS 314.A N HIS 317.A ND1 no hydrogen 2.764 N/A HIS 317.A N LYS 314.A O no hydrogen 2.700 N/A HIS 318.A N LYS 314.A O no hydrogen 3.222 N/A ASP 319.A N ASN 315.A O no hydrogen 2.682 N/A PHE 320.A N GLU 316.A O no hydrogen 2.916 N/A ASP 321.A N HIS 317.A O no hydrogen 3.057 N/A LEU 322.A N HIS 318.A O no hydrogen 3.014 N/A ALA 323.A N ASP 319.A O no hydrogen 2.735 N/A ALA 324.A N PHE 320.A O no hydrogen 3.281 N/A ILE 325.A N ASP 321.A O no hydrogen 3.008 N/A MET 326.A N LEU 322.A O no hydrogen 2.847 N/A ASP 327.A N ALA 323.A O no hydrogen 2.822 N/A VAL 328.A N ALA 324.A O no hydrogen 2.858 N/A GLY 329.A N MET 326.A O no hydrogen 2.935 N/A ALA 330.A N ILE 325.A O no hydrogen 3.252 N/A THR 331.A N TYR 298.A O no hydrogen 2.835 N/A THR 331.A OG1 SER 296.A O no hydrogen 2.691 N/A THR 332.A N TYR 298.A O no hydrogen 3.422 N/A THR 332.A OG1 ILE 354.A O no hydrogen 2.790 N/A THR 332.A OG1 TYR 533.A OH no hydrogen 2.416 N/A VAL 333.A N ILE 354.A O no hydrogen 2.908 N/A ARG 334.A N VAL 300.A O no hydrogen 2.837 N/A ARG 334.A NE GLU 358.A OE1 no hydrogen 2.842 N/A ARG 334.A NH1 THR 481.A O no hydrogen 2.899 N/A ARG 334.A NH2 GLU 358.A OE1 no hydrogen 2.991 N/A ARG 334.A NH2 GLU 358.A OE2 no hydrogen 3.062 N/A ARG 334.A NH2 ASN 397.A OD1 no hydrogen 2.817 N/A PHE 335.A N TRP 356.A O no hydrogen 2.906 N/A ALA 336.A N ARG 334.A O no hydrogen 2.902 N/A HIS 337.A ND1 GLU 358.A OE2 no hydrogen 2.906 N/A TYR 338.A OH HIS 303.A ND1 no hydrogen 3.012 N/A GLN 339.A NE2 GLN 383.A OE1 no hydrogen 3.085 N/A GLN 340.A N TYR 345.A OH no hydrogen 2.856 N/A GLN 340.A NE2 ARG 302.A O no hydrogen 2.916 N/A GLN 340.A NE2 ALA 336.A O no hydrogen 3.069 N/A TYR 343.A N SER 341.A OG no hydrogen 3.074 N/A TYR 343.A OH ASP 319.A OD1 no hydrogen 2.656 N/A TYR 343.A OH ASP 319.A OD2 no hydrogen 2.488 N/A TYR 345.A N SER 341.A O no hydrogen 3.055 N/A SER 346.A N ASP 342.A O no hydrogen 2.772 N/A ARG 347.A N TYR 343.A O no hydrogen 2.685 N/A CYS 348.A N LEU 344.A O no hydrogen 3.072 N/A CYS 348.A SG LEU 344.A O no hydrogen 3.571 N/A ASP 349.A N TYR 345.A O no hydrogen 3.225 N/A THR 350.A N ARG 347.A O no hydrogen 3.122 N/A LEU 351.A N ARG 347.A O no hydrogen 2.895 N/A GLY 352.A N CYS 348.A O no hydrogen 2.803 N/A ILE 354.A N THR 331.A O no hydrogen 2.896 N/A ILE 355.A N SER 389.A O no hydrogen 2.777 N/A TRP 356.A N VAL 333.A O no hydrogen 2.747 N/A TRP 356.A NE1 GLU 358.A OE1 no hydrogen 2.853 N/A ALA 357.A N VAL 392.A O no hydrogen 3.305 N/A ILE 359.A N GLY 394.A O no hydrogen 3.220 N/A CYS 361.A N ILE 359.A O no hydrogen 2.751 N/A ASN 363.A N ASN 397.A O no hydrogen 3.064 N/A ARG 364.A N VAL 362.A O no hydrogen 2.910 N/A ARG 364.A NE ASN 363.A O no hydrogen 3.045 N/A THR 366.A N GLU 369.A OE2 no hydrogen 2.962 N/A THR 366.A OG1 PRO 133.A O no hydrogen 2.981 N/A GLY 367.A N GLU 369.A OE1 no hydrogen 2.918 N/A TYR 368.A N THR 366.A OG1 no hydrogen 3.077 N/A GLU 369.A N GLU 369.A OE1 no hydrogen 2.767 N/A THR 370.A OG1 TYR 405.A OH no hydrogen 2.585 N/A ASN 372.A ND2 LYS 101.A O no hydrogen 3.177 N/A ALA 373.A N GLU 369.A O no hydrogen 2.908 N/A GLN 374.A N THR 370.A O no hydrogen 3.009 N/A SER 375.A N GLU 371.A O no hydrogen 3.010 N/A GLN 376.A N ASN 372.A O no hydrogen 2.839 N/A GLN 376.A NE2 ILE 136.A O no hydrogen 2.900 N/A GLN 376.A NE2 ASN 372.A OD1 no hydrogen 2.895 N/A LEU 377.A N ALA 373.A O no hydrogen 3.127 N/A ARG 378.A N GLN 374.A O no hydrogen 2.949 N/A GLU 379.A N SER 375.A O no hydrogen 3.181 N/A LEU 380.A N GLN 376.A O no hydrogen 2.798 N/A ILE 381.A N LEU 377.A O no hydrogen 3.094 N/A ARG 382.A N ARG 378.A O no hydrogen 2.902 N/A ARG 382.A NE GLU 420.A OE2 no hydrogen 2.478 N/A ARG 382.A NH2 GLU 420.A OE2 no hydrogen 2.563 N/A GLN 383.A N GLU 379.A O no hydrogen 2.898 N/A GLN 383.A NE2 ALA 106.A O no hydrogen 2.874 N/A GLN 383.A NE2 CYS 168.A O no hydrogen 2.660 N/A SER 384.A N LEU 380.A O no hydrogen 2.993 N/A SER 384.A OG LEU 380.A O no hydrogen 2.712 N/A ASN 386.A ND2 VAL 173.A O no hydrogen 3.372 N/A ASN 386.A ND2 GLN 273.A OE1 no hydrogen 2.633 N/A HIS 387.A N SER 384.A O no hydrogen 3.144 N/A HIS 387.A ND1 ASP 349.A OD2 no hydrogen 2.652 N/A HIS 387.A NE2 ASP 342.A OD1 no hydrogen 2.648 N/A SER 389.A N ASP 349.A OD1 no hydrogen 2.964 N/A SER 389.A OG TYR 345.A O no hydrogen 3.511 N/A SER 389.A OG ASP 349.A OD1 no hydrogen 2.481 N/A ILE 390.A N HIS 387.A O no hydrogen 3.182 N/A TYR 391.A N ILE 355.A O no hydrogen 2.935 N/A TYR 391.A OH TYR 533.A OH no hydrogen 2.744 N/A TRP 393.A N TYR 425.A O no hydrogen 2.964 N/A TRP 393.A NE1 ASP 421.A OD1 no hydrogen 2.949 N/A GLY 394.A N ALA 357.A O no hydrogen 2.748 N/A LEU 395.A N VAL 427.A O no hydrogen 2.656 N/A HIS 396.A ND1 THR 410.A OG1 no hydrogen 2.906 N/A ASN 397.A N CYS 361.A O no hydrogen 2.883 N/A GLU 398.A N VAL 429.A O no hydrogen 2.899 N/A HIS 403.A N GLN 401.A OE1 no hydrogen 3.144 N/A TYR 405.A OH GLU 369.A OE1 no hydrogen 2.611 N/A TYR 405.A OH THR 370.A OG1 no hydrogen 2.585 N/A THR 406.A N PRO 402.A O no hydrogen 2.992 N/A THR 406.A OG1 TYR 400.A O no hydrogen 2.639 N/A THR 406.A OG1 PRO 402.A O no hydrogen 3.107 N/A ALA 407.A N HIS 403.A O no hydrogen 2.792 N/A ALA 408.A N GLU 404.A O no hydrogen 2.890 N/A LEU 409.A N TYR 405.A O no hydrogen 2.787 N/A THR 410.A N THR 406.A O no hydrogen 3.051 N/A THR 410.A OG1 HIS 396.A ND1 no hydrogen 2.906 N/A THR 410.A OG1 THR 406.A O no hydrogen 2.904 N/A ARG 411.A N ALA 407.A O no hydrogen 2.959 N/A ARG 411.A NE ASN 442.A OD1 no hydrogen 2.791 N/A ARG 411.A NH2 ASN 442.A OD1 no hydrogen 3.448 N/A SER 412.A N ALA 408.A O no hydrogen 2.873 N/A SER 412.A OG LEU 409.A O no hydrogen 2.674 N/A LEU 413.A N LEU 409.A O no hydrogen 2.936 N/A HIS 414.A N THR 410.A O no hydrogen 2.760 N/A HIS 414.A ND1 THR 426.A OG1 no hydrogen 2.829 N/A ASP 415.A N ARG 411.A O no hydrogen 3.086 N/A LEU 416.A N SER 412.A O no hydrogen 2.792 N/A ALA 417.A N LEU 413.A O no hydrogen 2.944 N/A ALA 417.A N HIS 414.A O no hydrogen 3.145 N/A LYS 418.A N HIS 414.A O no hydrogen 3.082 N/A LYS 418.A NZ ARG 424.A O no hydrogen 2.978 N/A LYS 418.A NZ ASP 444.A OD2 no hydrogen 2.371 N/A THR 419.A N ASP 415.A O no hydrogen 2.893 N/A THR 419.A OG1 ASP 415.A O no hydrogen 3.240 N/A THR 419.A OG1 ASP 415.A OD1 no hydrogen 3.421 N/A GLU 420.A N LEU 416.A O no hydrogen 2.946 N/A ARG 424.A N ASP 421.A O no hydrogen 3.290 N/A ARG 424.A NE ILE 390.A O no hydrogen 2.886 N/A ARG 424.A NH1 PHE 385.A O no hydrogen 2.688 N/A ARG 424.A NH1 HIS 387.A O no hydrogen 2.860 N/A ARG 424.A NH2 PHE 385.A O no hydrogen 2.825 N/A ARG 424.A NH2 ASP 421.A OD1 no hydrogen 3.109 N/A THR 426.A N ASP 444.A OD2 no hydrogen 3.278 N/A THR 426.A OG1 HIS 414.A ND1 no hydrogen 2.829 N/A VAL 427.A N TRP 393.A O no hydrogen 2.816 N/A SER 428.A N ILE 445.A O no hydrogen 3.430 N/A VAL 429.A N HIS 396.A O no hydrogen 2.933 N/A ASN 430.A N GLY 447.A O no hydrogen 3.187 N/A ASN 430.A ND2 TYR 432.A O no hydrogen 3.552 N/A HIS 437.A N HIS 434.A O no hydrogen 3.375 N/A VAL 439.A N HIS 437.A ND1 no hydrogen 3.163 N/A ASN 440.A N HIS 437.A O no hydrogen 2.995 N/A ASN 440.A ND2 MET 435.A O no hydrogen 3.255 N/A LEU 441.A N GLN 446.A OE1 no hydrogen 2.678 N/A ASN 442.A ND2 VAL 439.A O no hydrogen 3.045 N/A ASP 444.A N THR 426.A OG1 no hydrogen 2.835 N/A ILE 445.A N THR 426.A O no hydrogen 2.918 N/A GLN 446.A N LYS 477.A O no hydrogen 2.912 N/A GLN 446.A NE2 GLY 447.A O no hydrogen 3.369 N/A GLY 447.A N SER 428.A O no hydrogen 3.048 N/A MET 448.A N MET 479.A O no hydrogen 3.025 N/A ASN 449.A N ASN 430.A O no hydrogen 2.870 N/A ASN 449.A ND2 ASN 397.A OD1 no hydrogen 3.509 N/A ASN 449.A ND2 GLU 398.A OE1 no hydrogen 2.839 N/A ARG 450.A N GLU 482.A O no hydrogen 2.969 N/A ARG 450.A NE ASN 449.A O no hydrogen 2.701 N/A ARG 450.A NH1 GLU 456.A OE1 no hydrogen 3.067 N/A ARG 450.A NH2 GLY 431.A O no hydrogen 2.819 N/A ARG 450.A NH2 GLU 456.A OE1 no hydrogen 3.522 N/A TYR 451.A OH GLU 482.A OE1 no hydrogen 2.795 N/A GLY 453.A N GLU 456.A O no hydrogen 2.681 N/A TRP 454.A N TYR 451.A O no hydrogen 2.967 N/A TYR 455.A N TYR 451.A O no hydrogen 3.258 N/A LYS 458.A N ASP 461.A OD2 no hydrogen 2.643 N/A ILE 459.A N ASP 498.A O no hydrogen 2.949 N/A ASP 461.A N LYS 458.A O no hydrogen 3.053 N/A LYS 463.A N GLN 460.A O no hydrogen 3.186 N/A TRP 465.A N ASP 461.A O no hydrogen 3.281 N/A TRP 465.A NE1 GLY 433.A O no hydrogen 2.755 N/A VAL 466.A N ILE 462.A O no hydrogen 2.929 N/A GLU 467.A N LYS 463.A O no hydrogen 2.892 N/A GLN 468.A N PRO 464.A O no hydrogen 2.926 N/A LEU 469.A N TRP 465.A O no hydrogen 3.028 N/A GLU 470.A N VAL 466.A O no hydrogen 3.032 N/A LYS 471.A N GLU 467.A O no hydrogen 3.269 N/A LYS 471.A NZ GLN 468.A OE1 no hydrogen 3.377 N/A ASP 472.A N GLN 468.A O no hydrogen 2.771 N/A TYR 473.A N LEU 469.A O no hydrogen 2.928 N/A GLN 476.A N TYR 473.A O no hydrogen 3.271 N/A MET 479.A N GLN 446.A O no hydrogen 3.058 N/A LEU 480.A N ALA 531.A O no hydrogen 2.685 N/A THR 481.A N MET 448.A O no hydrogen 3.025 N/A THR 481.A OG1 ASN 449.A OD1 no hydrogen 2.531 N/A TYR 483.A OH TYR 573.A OH no hydrogen 2.524 N/A ALA 487.A N MET 555.A O no hydrogen 2.950 N/A ASN 488.A N TYR 507.A O no hydrogen 2.351 N/A ASN 488.A ND2 GLY 548.A O no hydrogen 2.802 N/A ALA 490.A N ASN 488.A OD1 no hydrogen 3.084 N/A HIS 491.A N ASN 488.A O no hydrogen 2.377 N/A HIS 491.A NE2 PRO 505.A O no hydrogen 2.839 N/A GLN 492.A NE2 GLU 509.A OE1 no hydrogen 3.044 N/A THR 493.A OG1 GLU 594.A OE1 no hydrogen 3.021 N/A THR 493.A OG1 GLU 594.A OE2 no hydrogen 3.555 N/A GLU 494.A N GLU 594.A OE2 no hydrogen 2.957 N/A TYR 495.A N THR 493.A OG1 no hydrogen 3.238 N/A LEU 500.A N GLY 453.A O no hydrogen 3.249 N/A TYR 507.A OH TRP 502.A O no hydrogen 2.690 N/A GLU 509.A N HIS 491.A O no hydrogen 2.857 N/A THR 510.A OG1 THR 493.A O no hydrogen 2.642 N/A PHE 511.A N PRO 508.A O no hydrogen 3.016 N/A GLN 512.A NE2 ALA 485.A O no hydrogen 2.874 N/A GLN 512.A NE2 GLY 557.A O no hydrogen 3.352 N/A THR 513.A N GLU 509.A O no hydrogen 3.254 N/A THR 513.A OG1 GLU 509.A O no hydrogen 3.008 N/A LYS 514.A N THR 510.A O no hydrogen 3.043 N/A LYS 514.A NZ GLY 497.A O no hydrogen 2.747 N/A LYS 514.A NZ ASP 498.A OD1 no hydrogen 3.101 N/A THR 515.A N PHE 511.A O no hydrogen 2.949 N/A THR 515.A OG1 PHE 511.A O no hydrogen 3.365 N/A HIS 516.A N GLN 512.A O no hydrogen 3.040 N/A HIS 516.A ND1 TYR 573.A OH no hydrogen 2.614 N/A GLU 517.A N THR 513.A O no hydrogen 2.886 N/A GLN 519.A N THR 515.A O no hydrogen 2.950 N/A GLN 519.A NE2 PHE 452.A O no hydrogen 3.345 N/A GLN 519.A NE2 ILE 459.A O no hydrogen 2.836 N/A TRP 520.A N HIS 516.A O no hydrogen 3.080 N/A SER 521.A OG TYR 518.A O no hydrogen 2.726 N/A ILE 522.A N GLN 519.A O no hydrogen 2.930 N/A ILE 523.A N GLN 519.A O no hydrogen 2.992 N/A LYS 524.A N TRP 520.A O no hydrogen 2.800 N/A ASP 525.A N ILE 522.A O no hydrogen 3.041 N/A HIS 526.A N ILE 523.A O no hydrogen 2.927 N/A HIS 526.A ND1 ILE 522.A O no hydrogen 3.171 N/A TYR 528.A OH TYR 473.A O no hydrogen 2.903 N/A ILE 529.A N HIS 526.A O no hydrogen 2.786 N/A ILE 530.A N LEU 478.A O no hydrogen 2.738 N/A TYR 533.A N LEU 480.A O no hydrogen 2.575 N/A TYR 533.A OH THR 332.A OG1 no hydrogen 2.416 N/A TYR 533.A OH TYR 391.A OH no hydrogen 2.744 N/A LEU 534.A N GLY 299.A O no hydrogen 2.991 N/A TRP 535.A N TYR 483.A O no hydrogen 2.827 N/A ASN 536.A N LYS 556.A O no hydrogen 2.984 N/A MET 537.A N THR 301.A O no hydrogen 3.179 N/A ASP 539.A N ILE 559.A O no hydrogen 3.181 N/A PHE 540.A N ASN 554.A O no hydrogen 3.003 N/A ALA 541.A N ASP 305.A OD2 no hydrogen 3.145 N/A VAL 542.A N ALA 552.A O no hydrogen 3.009 N/A TRP 545.A N VAL 542.A O no hydrogen 3.046 N/A VAL 550.A N ARG 547.A O no hydrogen 3.201 N/A ALA 552.A N TRP 545.A O no hydrogen 2.811 N/A ASN 554.A N PHE 540.A O no hydrogen 2.725 N/A MET 555.A N ASP 486.A OD2 no hydrogen 2.839 N/A LYS 556.A N ASN 554.A OD1 no hydrogen 3.288 N/A LYS 556.A NZ TYR 455.A OH no hydrogen 2.733 N/A GLY 557.A N ASP 539.A OD1 no hydrogen 2.937 N/A LEU 558.A N MET 537.A O no hydrogen 3.200 N/A ILE 559.A N MET 537.A O no hydrogen 3.121 N/A THR 560.A N THR 565.A O no hydrogen 2.897 N/A THR 560.A OG1 ASP 562.A OD2 no hydrogen 2.780 N/A THR 560.A OG1 THR 565.A O no hydrogen 3.449 N/A ARG 563.A N THR 560.A O no hydrogen 2.476 N/A ARG 563.A NE ASP 321.A OD1 no hydrogen 2.798 N/A ARG 563.A NH1 ASP 305.A O no hydrogen 3.460 N/A ARG 563.A NH1 ASP 321.A OD1 no hydrogen 3.164 N/A ARG 563.A NH1 ASP 321.A OD2 no hydrogen 2.814 N/A ARG 563.A NH2 ASP 305.A O no hydrogen 2.989 N/A ARG 563.A NH2 PHE 561.A O no hydrogen 3.152 N/A LYS 564.A N ASP 562.A OD2 no hydrogen 2.865 N/A THR 565.A N THR 560.A OG1 no hydrogen 2.793 N/A LYS 567.A N LEU 558.A O no hydrogen 2.628 N/A LYS 567.A NZ ALA 487.A O no hydrogen 3.394 N/A LYS 567.A NZ ASP 539.A OD1 no hydrogen 3.013 N/A LYS 567.A NZ ASP 539.A OD2 no hydrogen 3.442 N/A LYS 567.A NZ GLY 557.A O no hydrogen 2.666 N/A ASP 568.A N GLU 509.A OE2 no hydrogen 3.083 N/A SER 569.A OG GLN 512.A OE1 no hydrogen 3.505 N/A TYR 570.A OH ASP 327.A OD2 no hydrogen 2.826 N/A PHE 571.A N ASP 568.A O no hydrogen 2.865 N/A TRP 572.A N ASP 568.A O no hydrogen 2.917 N/A TYR 573.A N SER 569.A O no hydrogen 2.818 N/A TYR 573.A OH TYR 483.A OH no hydrogen 2.524 N/A TYR 573.A OH HIS 516.A ND1 no hydrogen 2.614 N/A LYS 574.A N TYR 570.A O no hydrogen 2.995 N/A LYS 574.A NZ ASP 327.A OD2 no hydrogen 3.030 N/A ALA 575.A N PHE 571.A O no hydrogen 2.958 N/A ASN 576.A N TRP 572.A O no hydrogen 3.021 N/A ASN 576.A ND2 TRP 572.A O no hydrogen 2.635 N/A TRP 577.A N LYS 574.A O no hydrogen 3.255 N/A SER 578.A N LYS 574.A O no hydrogen 2.855 N/A GLU 580.A N SER 578.A OG no hydrogen 2.834 N/A VAL 582.A N ASN 605.A OD1 no hydrogen 2.583 N/A TYR 584.A N TYR 603.A O no hydrogen 2.982 N/A TYR 584.A OH ASP 568.A OD1 no hydrogen 2.355 N/A LEU 585.A N ASP 657.A OD2 no hydrogen 2.417 N/A THR 586.A N THR 601.A O no hydrogen 3.311 N/A THR 586.A OG1 THR 601.A O no hydrogen 3.523 N/A GLN 587.A N ASP 568.A OD2 no hydrogen 3.027 N/A ARG 588.A NH1 LEU 585.A O no hydrogen 3.268 N/A ARG 588.A NH1 ASP 657.A OD1 no hydrogen 3.507 N/A ARG 588.A NH1 ASP 657.A OD2 no hydrogen 3.114 N/A ARG 589.A NE GLU 509.A OE1 no hydrogen 2.847 N/A ARG 589.A NH2 GLU 509.A OE1 no hydrogen 3.019 N/A ARG 589.A NH2 GLU 509.A OE2 no hydrogen 2.228 N/A ASN 590.A N GLN 587.A O no hydrogen 2.570 N/A ASN 590.A ND2 GLN 587.A OE1 no hydrogen 3.026 N/A ARG 593.A N ASN 662.A O no hydrogen 2.988 N/A ARG 593.A NH1 GLU 494.A OE2 no hydrogen 3.567 N/A ARG 593.A NH2 GLN 587.A OE1 no hydrogen 3.212 N/A ARG 593.A NH2 ASN 590.A O no hydrogen 3.087 N/A LYS 595.A N GLU 494.A OE2 no hydrogen 3.458 N/A LYS 595.A NZ GLU 494.A OE1 no hydrogen 3.446 N/A ARG 596.A N GLU 666.A OE1 no hydrogen 2.663 N/A THR 598.A N VAL 635.A O no hydrogen 2.821 N/A THR 598.A OG1 GLU 494.A OE1 no hydrogen 2.203 N/A VAL 600.A N PHE 632.A O no hydrogen 2.687 N/A VAL 602.A N TYR 630.A O no hydrogen 2.756 N/A TYR 603.A N TYR 584.A O no hydrogen 2.681 N/A TYR 603.A OH GLU 517.A OE2 no hydrogen 2.134 N/A SER 604.A N VAL 628.A O no hydrogen 2.937 N/A SER 604.A OG GLY 607.A O no hydrogen 2.631 N/A ASN 605.A N VAL 582.A O no hydrogen 3.320 N/A ASN 605.A ND2 SER 578.A O no hydrogen 3.647 N/A ASN 605.A ND2 GLU 580.A O no hydrogen 2.685 N/A ILE 606.A N SER 604.A OG no hydrogen 3.190 N/A LYS 610.A N VAL 647.A O no hydrogen 2.625 N/A TYR 612.A N LYS 645.A O no hydrogen 2.697 N/A LEU 613.A N GLN 616.A O no hydrogen 3.143 N/A ASN 614.A N ILE 643.A O no hydrogen 3.041 N/A GLN 616.A N LEU 613.A O no hydrogen 2.716 N/A LEU 618.A N VAL 611.A O no hydrogen 2.760 N/A ARG 622.A N VAL 631.A O no hydrogen 2.872 N/A ARG 622.A NH1 ASN 623.A O no hydrogen 2.976 N/A GLY 624.A N HIS 629.A O no hydrogen 2.445 N/A TYR 625.A N HIS 629.A ND1 no hydrogen 2.816 N/A THR 626.A OG1 ASN 576.A OD1 no hydrogen 3.243 N/A VAL 628.A N THR 626.A OG1 no hydrogen 3.195 N/A HIS 629.A N THR 626.A O no hydrogen 2.653 N/A TYR 630.A N VAL 602.A O no hydrogen 3.189 N/A VAL 631.A N ARG 622.A O no hydrogen 3.155 N/A PHE 632.A N VAL 600.A O no hydrogen 2.861 N/A VAL 635.A N THR 598.A O no hydrogen 2.533 N/A LEU 637.A N ARG 596.A O no hydrogen 2.724 N/A ALA 638.A N ASN 642.A OD1 no hydrogen 2.646 N/A GLY 640.A N TYR 663.A O no hydrogen 3.059 N/A ASN 642.A N TRP 661.A O no hydrogen 2.754 N/A ASN 642.A ND2 ALA 638.A O no hydrogen 3.283 N/A ILE 643.A N ASN 614.A OD1 no hydrogen 3.244 N/A LEU 644.A N ILE 659.A O no hydrogen 2.872 N/A LYS 645.A N TYR 612.A O no hydrogen 3.167 N/A ALA 646.A N ASP 657.A O no hydrogen 2.811 N/A VAL 647.A N LYS 610.A O no hydrogen 2.542 N/A VAL 648.A N TYR 655.A O no hydrogen 3.249 N/A THR 650.A N LYS 653.A O no hydrogen 2.698 N/A THR 650.A OG1 ILE 606.A O no hydrogen 3.376 N/A LYS 653.A N THR 650.A O no hydrogen 3.066 N/A TYR 655.A N VAL 648.A O no hydrogen 2.758 N/A ASP 657.A N ALA 646.A O no hydrogen 2.848 N/A ILE 659.A N LEU 644.A O no hydrogen 2.812 N/A TRP 661.A N ASN 642.A O no hydrogen 2.808 N/A ASN 662.A N ALA 591.A O no hydrogen 2.935 N/A TYR 663.A N GLY 640.A O no hydrogen 3.313 N/A TYR 663.A OH GLU 666.A OE1 no hydrogen 2.968 N/A LYS 667.A N GLU 594.A O no hydrogen 3.365 N/A LYS 667.A NZ ASP 592.A OD1 no hydrogen 3.201 N/A ARG 669.A N GLU 594.A OE1 no hydrogen 2.938 N/A ARG 669.A NE GLN 492.A O no hydrogen 3.226 N/A ARG 669.A NH1 ASP 592.A O no hydrogen 3.050 N/A ARG 669.A NH2 ASP 592.A O no hydrogen 2.547 N/A ILE 671.A N ASN 668.A O no hydrogen 3.433 N/A ILE 671.A N ASN 668.A OD1 no hydrogen 2.760 N/A