Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nqb_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N PRO 2.A O no hydrogen 3.039 N/A ASN 6.A N ALA 3.A O no hydrogen 3.203 N/A LEU 10.A N ASP 7.A OD2 no hydrogen 3.371 N/A ARG 11.A N ASP 7.A O no hydrogen 3.014 N/A ARG 11.A NE LEU 5.A O no hydrogen 2.873 N/A ARG 11.A NH2 ASN 6.A OD1 no hydrogen 3.170 N/A ALA 12.A N ASP 8.A O no hydrogen 2.883 N/A ARG 13.A N THR 9.A O no hydrogen 3.037 N/A ARG 13.A NH1 ASP 25.A OD1 no hydrogen 2.927 N/A ARG 13.A NH1 ASP 25.A OD2 no hydrogen 3.325 N/A ARG 13.A NH2 ASP 25.A OD2 no hydrogen 3.159 N/A ALA 14.A N LEU 10.A O no hydrogen 2.802 N/A VAL 15.A N ARG 11.A O no hydrogen 2.865 N/A ALA 16.A N ALA 12.A O no hydrogen 2.949 N/A ALA 17.A N ARG 13.A O no hydrogen 2.891 N/A ALA 18.A N ALA 14.A O no hydrogen 2.988 N/A ARG 19.A N VAL 15.A O no hydrogen 2.859 N/A ARG 19.A NE ASP 21.A OD2 no hydrogen 2.918 N/A ARG 19.A NH2 ASP 21.A OD2 no hydrogen 3.072 N/A GLY 20.A N ALA 16.A O no hydrogen 3.060 N/A ASP 21.A N ALA 16.A O no hydrogen 2.936 N/A GLN 22.A N ALA 16.A O no hydrogen 3.281 N/A PHE 24.A N ASP 64.A O no hydrogen 2.892 N/A ASP 25.A N ILE 48.A O no hydrogen 2.757 N/A VAL 26.A N ILE 48.A O no hydrogen 3.212 N/A LEU 27.A N GLN 67.A O no hydrogen 2.993 N/A ILE 28.A N ILE 46.A O no hydrogen 2.868 N/A THR 29.A N ILE 69.A O no hydrogen 3.040 N/A THR 29.A OG1 ILE 69.A O no hydrogen 3.534 N/A GLY 30.A N ASP 45.A OD1 no hydrogen 2.903 N/A THR 32.A N ALA 74.A O no hydrogen 2.937 N/A LEU 33.A N ARG 42.A O no hydrogen 2.717 N/A VAL 34.A N VAL 76.A O no hydrogen 2.918 N/A ASP 35.A N GLU 40.A O no hydrogen 2.989 N/A VAL 37.A N ASP 35.A OD1 no hydrogen 2.983 N/A THR 38.A N ASP 35.A OD1 no hydrogen 2.903 N/A THR 38.A OG1 GLU 40.A OE1 no hydrogen 2.743 N/A GLY 39.A N ASP 35.A O no hydrogen 2.801 N/A GLU 40.A N THR 38.A OG1 no hydrogen 3.213 N/A ARG 42.A N LEU 33.A O no hydrogen 2.953 N/A ARG 42.A NE ASP 35.A OD2 no hydrogen 2.911 N/A ARG 42.A NH2 ASP 35.A OD2 no hydrogen 3.258 N/A ALA 44.A N GLY 31.A O no hydrogen 3.368 N/A ASP 45.A N HIS 57.A O no hydrogen 2.956 N/A ILE 46.A N ILE 28.A O no hydrogen 2.955 N/A GLY 47.A N SER 55.A O no hydrogen 2.909 N/A ILE 48.A N VAL 26.A O no hydrogen 2.853 N/A VAL 49.A N LEU 52.A O no hydrogen 2.937 N/A GLY 50.A N ASP 25.A OD2 no hydrogen 2.684 N/A LEU 52.A N VAL 49.A O no hydrogen 3.042 N/A ILE 53.A N ARG 328.A O no hydrogen 2.721 N/A ALA 54.A N GLY 47.A O no hydrogen 2.675 N/A SER 55.A N GLY 47.A O no hydrogen 3.034 N/A HIS 57.A N ASP 45.A O no hydrogen 3.102 N/A HIS 57.A ND1 GLU 58.A O no hydrogen 3.351 N/A ALA 60.A N ASP 45.A OD2 no hydrogen 2.689 N/A SER 61.A N GLU 58.A O no hydrogen 3.114 N/A SER 61.A OG GLU 58.A O no hydrogen 2.613 N/A ARG 62.A NE ASP 64.A OD2 no hydrogen 2.789 N/A ARG 62.A NH1 ALA 17.A O no hydrogen 2.833 N/A ARG 62.A NH2 ALA 17.A O no hydrogen 2.895 N/A ARG 62.A NH2 ASP 64.A OD1 no hydrogen 2.883 N/A ARG 62.A NH2 ASP 64.A OD2 no hydrogen 3.494 N/A ALA 66.A N PHE 24.A O no hydrogen 3.135 N/A ILE 69.A N LEU 27.A O no hydrogen 2.793 N/A ALA 71.A N THR 29.A O no hydrogen 2.737 N/A GLY 72.A N ASP 70.A OD1 no hydrogen 2.776 N/A ALA 74.A N ALA 71.A O no hydrogen 2.858 N/A TYR 75.A N PHE 335.A O no hydrogen 2.835 N/A VAL 76.A N THR 32.A O no hydrogen 2.697 N/A SER 77.A N VAL 333.A O no hydrogen 2.842 N/A SER 77.A OG PRO 78.A O no hydrogen 2.824 N/A GLY 79.A N ASP 331.A O no hydrogen 2.965 N/A LEU 80.A N GLY 103.A O no hydrogen 3.003 N/A ILE 81.A N ALA 308.A O no hydrogen 2.940 N/A ASP 82.A N THR 106.A O no hydrogen 2.919 N/A THR 83.A N LEU 271.A O no hydrogen 3.013 N/A THR 83.A OG1 THR 270.A OG1 no hydrogen 2.836 N/A THR 83.A OG1 LEU 271.A O no hydrogen 3.149 N/A HIS 84.A N ASP 82.A OD1 no hydrogen 3.369 N/A HIS 85.A ND1 ASP 110.A O no hydrogen 2.932 N/A GLU 87.A N GLU 87.A OE1 no hydrogen 2.706 N/A SER 89.A N ILE 86.A O no hydrogen 2.919 N/A SER 89.A OG VAL 276.A O no hydrogen 2.799 N/A ALA 94.A N THR 91.A OG1 no hydrogen 3.222 N/A TYR 95.A N THR 91.A O no hydrogen 2.834 N/A ALA 96.A N PRO 92.A O no hydrogen 2.788 N/A ALA 97.A N ALA 93.A O no hydrogen 3.062 N/A ALA 98.A N ALA 94.A O no hydrogen 3.237 N/A VAL 99.A N TYR 95.A O no hydrogen 3.092 N/A VAL 100.A N ALA 96.A O no hydrogen 2.845 N/A ARG 102.A N VAL 99.A O no hydrogen 3.113 N/A ARG 102.A NH1 ASP 288.A OD2 no hydrogen 3.059 N/A ARG 102.A NH2 LEU 282.A O no hydrogen 2.942 N/A GLY 103.A N VAL 100.A O no hydrogen 3.072 N/A VAL 104.A N VAL 99.A O no hydrogen 2.930 N/A THR 105.A N LEU 80.A O no hydrogen 2.980 N/A THR 106.A N LEU 80.A O no hydrogen 3.231 N/A ILE 107.A N ARG 136.A O no hydrogen 2.807 N/A VAL 108.A N ASP 82.A O no hydrogen 2.815 N/A TRP 109.A N ILE 138.A O no hydrogen 2.934 N/A TRP 109.A NE1 GLU 87.A OE1 no hydrogen 2.694 N/A HIS 112.A ND1 ASP 110.A OD2 no hydrogen 2.772 N/A PHE 114.A N GLU 87.A OE2 no hydrogen 3.019 N/A GLY 115.A N PRO 111.A O no hydrogen 2.869 N/A ASN 116.A N HIS 112.A O no hydrogen 3.053 N/A ASN 116.A ND2 HIS 112.A O no hydrogen 2.792 N/A VAL 117.A N GLU 113.A O no hydrogen 3.082 N/A HIS 118.A N PHE 114.A O no hydrogen 2.974 N/A HIS 118.A NE2 SER 501.A OG no hydrogen 2.790 N/A GLY 122.A N GLY 119.A O no hydrogen 2.712 N/A VAL 123.A N GLY 119.A O no hydrogen 3.234 N/A ARG 124.A N VAL 120.A O no hydrogen 2.869 N/A ARG 124.A NH1 ASP 121.A OD1 no hydrogen 2.882 N/A TRP 125.A N ASP 121.A O no hydrogen 2.939 N/A TRP 125.A NE1 ASP 366.A O no hydrogen 2.706 N/A ALA 126.A N GLY 122.A O no hydrogen 2.961 N/A ALA 127.A N VAL 123.A O no hydrogen 3.018 N/A LYS 128.A N ARG 124.A O no hydrogen 2.919 N/A ALA 129.A N TRP 125.A O no hydrogen 2.693 N/A ILE 130.A N ALA 126.A O no hydrogen 3.136 N/A GLU 131.A N LYS 128.A O no hydrogen 3.247 N/A LEU 133.A N ILE 130.A O no hydrogen 3.098 N/A ARG 136.A N THR 105.A O no hydrogen 3.000 N/A ARG 136.A NE GLU 1.A OE1 no hydrogen 2.863 N/A ARG 136.A NH1 THR 106.A OG1 no hydrogen 3.011 N/A ARG 136.A NH1 ASP 331.A OD2 no hydrogen 2.767 N/A ARG 136.A NH2 GLU 1.A OE1 no hydrogen 3.410 N/A ARG 136.A NH2 GLU 1.A OE2 no hydrogen 3.228 N/A ILE 138.A N ILE 107.A O no hydrogen 2.748 N/A LEU 139.A N GLU 171.A O no hydrogen 3.079 N/A LEU 140.A N TRP 109.A O no hydrogen 3.010 N/A ALA 141.A N GLY 174.A O no hydrogen 2.899 N/A SER 143.A OG ALA 176.A O no hydrogen 2.774 N/A SER 143.A OG GLU 177.A O no hydrogen 3.102 N/A CYS 144.A SG SER 143.A OG no hydrogen 3.420 N/A SER 147.A OG GLU 152.A OE2 no hydrogen 2.475 N/A ALA 148.A N GLU 152.A OE2 no hydrogen 2.744 N/A LEU 151.A N ALA 148.A O no hydrogen 3.131 N/A ARG 153.A N ASP 554.A OD2 no hydrogen 2.968 N/A GLY 155.A N ASN 116.A O no hydrogen 2.705 N/A PHE 158.A N VAL 145.A O no hydrogen 2.832 N/A ILE 162.A N ASP 159.A OD1 no hydrogen 3.113 N/A LEU 163.A N ASP 159.A O no hydrogen 2.971 N/A ALA 164.A N ALA 160.A O no hydrogen 2.915 N/A ASP 165.A N ALA 161.A O no hydrogen 2.968 N/A LEU 166.A N ILE 162.A O no hydrogen 2.962 N/A LEU 167.A N LEU 163.A O no hydrogen 2.883 N/A SER 168.A N ALA 164.A O no hydrogen 3.156 N/A SER 168.A N ASP 165.A O no hydrogen 3.242 N/A SER 168.A OG ASP 165.A O no hydrogen 2.445 N/A TRP 169.A N LEU 166.A O no hydrogen 3.105 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.721 N/A ILE 172.A N TRP 169.A O no hydrogen 3.098 N/A GLY 173.A N LEU 139.A O no hydrogen 2.612 N/A ILE 175.A N LEU 201.A O no hydrogen 2.853 N/A ALA 176.A N ALA 141.A O no hydrogen 2.795 N/A ILE 178.A N CYS 203.A O no hydrogen 3.046 N/A GLY 181.A N ASN 179.A OD1 no hydrogen 3.138 N/A GLU 184.A N ARG 180.A O no hydrogen 2.691 N/A ARG 185.A N VAL 182.A O no hydrogen 3.153 N/A ASP 186.A N GLY 181.A O no hydrogen 2.585 N/A ARG 188.A NH1 ASP 157.A OD2 no hydrogen 2.966 N/A ARG 188.A NH2 ASP 157.A OD1 no hydrogen 2.927 N/A ARG 188.A NH2 ASP 157.A OD2 no hydrogen 3.419 N/A SER 189.A OG ASP 186.A O no hydrogen 3.094 N/A GLY 190.A N PRO 187.A O no hydrogen 2.869 N/A ILE 191.A N ARG 188.A O no hydrogen 3.044 N/A GLN 193.A N SER 189.A O no hydrogen 2.948 N/A ALA 194.A N GLY 190.A O no hydrogen 3.010 N/A GLY 195.A N ILE 191.A O no hydrogen 2.982 N/A LEU 196.A N VAL 192.A O no hydrogen 2.758 N/A ALA 197.A N GLN 193.A O no hydrogen 2.860 N/A ALA 198.A N ALA 194.A O no hydrogen 2.996 N/A GLU 199.A N LEU 196.A O no hydrogen 3.106 N/A LYS 200.A NZ LEU 167.A O no hydrogen 2.621 N/A LYS 200.A NZ ILE 172.A O no hydrogen 2.820 N/A LEU 201.A N GLY 173.A O no hydrogen 3.243 N/A CYS 203.A N ILE 175.A O no hydrogen 3.084 N/A HIS 205.A N ILE 178.A O no hydrogen 3.167 N/A ALA 206.A N ASP 224.A OD1 no hydrogen 2.754 N/A ARG 207.A NE GLU 226.A OE1 no hydrogen 3.044 N/A ARG 207.A NH2 GLU 226.A OE1 no hydrogen 2.908 N/A ARG 207.A NH2 GLU 226.A OE2 no hydrogen 3.474 N/A LEU 209.A N ALA 206.A O no hydrogen 3.035 N/A ASP 213.A N LYS 210.A O no hydrogen 3.122 N/A LEU 214.A N LYS 210.A O no hydrogen 3.496 N/A ASN 215.A N ASN 211.A O no hydrogen 2.937 N/A ALA 216.A N ALA 212.A O no hydrogen 2.852 N/A PHE 217.A N ASP 213.A O no hydrogen 2.836 N/A ALA 219.A N ALA 216.A O no hydrogen 3.217 N/A VAL 221.A N PHE 217.A O no hydrogen 3.281 N/A SER 222.A N VAL 202.A O no hydrogen 3.034 N/A SER 222.A OG VAL 202.A O no hydrogen 3.357 N/A SER 223.A OG GLU 243.A OE2 no hydrogen 2.656 N/A ASP 224.A N THR 241.A O no hydrogen 3.152 N/A HIS 225.A ND1 GLU 243.A OE1 no hydrogen 2.948 N/A GLU 226.A N ASP 224.A OD1 no hydrogen 2.905 N/A LEU 227.A N HIS 225.A O no hydrogen 2.728 N/A VAL 228.A N ASP 232.A OD2 no hydrogen 2.982 N/A GLY 230.A N GLU 254.A OE2 no hydrogen 3.334 N/A ASP 232.A N SER 229.A OG no hydrogen 2.988 N/A LEU 233.A N SER 229.A O no hydrogen 2.972 N/A LYS 235.A N ASP 232.A O no hydrogen 2.844 N/A LYS 235.A NZ ALA 206.A O no hydrogen 3.110 N/A LYS 235.A NZ ASP 224.A OD2 no hydrogen 2.786 N/A LYS 235.A NZ ASP 232.A OD1 no hydrogen 3.440 N/A LYS 235.A NZ ASP 232.A OD2 no hydrogen 2.955 N/A LEU 236.A N LEU 233.A O no hydrogen 2.859 N/A ALA 238.A N ALA 234.A O no hydrogen 2.885 N/A GLY 239.A N LEU 236.A O no hydrogen 2.793 N/A LEU 240.A N LYS 235.A O no hydrogen 3.233 N/A THR 241.A N SER 222.A O no hydrogen 3.208 N/A ILE 242.A N THR 268.A O no hydrogen 2.829 N/A GLU 243.A N ASP 224.A O no hydrogen 2.788 N/A LEU 244.A N THR 270.A O no hydrogen 2.919 N/A ARG 245.A NH1 GLU 226.A OE2 no hydrogen 3.086 N/A ARG 245.A NH1 ASP 274.A OD2 no hydrogen 2.774 N/A ARG 245.A NH2 GLU 226.A OE1 no hydrogen 2.716 N/A LEU 251.A N HIS 248.A O no hydrogen 3.176 N/A LEU 252.A N ASP 249.A O no hydrogen 2.915 N/A GLU 254.A N LEU 251.A O no hydrogen 3.143 N/A PHE 255.A N LEU 251.A O no hydrogen 3.183 N/A VAL 256.A N LEU 252.A O no hydrogen 2.917 N/A ALA 257.A N PRO 253.A O no hydrogen 2.863 N/A ALA 258.A N GLU 254.A O no hydrogen 2.870 N/A LEU 259.A N PHE 255.A O no hydrogen 3.043 N/A ASN 260.A N VAL 256.A O no hydrogen 2.841 N/A ASN 260.A ND2 GLY 298.A O no hydrogen 3.424 N/A THR 261.A N ALA 257.A O no hydrogen 3.074 N/A THR 261.A OG1 ALA 257.A O no hydrogen 2.683 N/A LEU 262.A N LEU 259.A O no hydrogen 2.925 N/A GLY 263.A N LEU 259.A O no hydrogen 3.179 N/A VAL 269.A N PRO 266.A O no hydrogen 3.122 N/A THR 270.A N ILE 242.A O no hydrogen 2.879 N/A THR 270.A OG1 THR 83.A OG1 no hydrogen 2.836 N/A THR 270.A OG1 ILE 242.A O no hydrogen 2.800 N/A CYS 272.A N LEU 244.A O no hydrogen 2.958 N/A THR 273.A N ASP 82.A OD1 no hydrogen 2.828 N/A THR 273.A OG1 ASP 82.A OD2 no hydrogen 2.568 N/A ASP 274.A N HIS 84.A O no hydrogen 2.823 N/A LEU 281.A N PHE 277.A O no hydrogen 2.740 N/A LEU 282.A N PRO 278.A O no hydrogen 2.967 N/A GLN 283.A N ASP 279.A O no hydrogen 3.038 N/A GLY 284.A N ASP 280.A O no hydrogen 2.770 N/A GLY 285.A N ASP 280.A O no hydrogen 3.066 N/A GLY 286.A N ASP 288.A OD1 no hydrogen 2.718 N/A ASP 289.A N GLY 286.A O no hydrogen 2.889 N/A VAL 290.A N LEU 287.A O no hydrogen 2.857 N/A VAL 291.A N LEU 287.A O no hydrogen 3.246 N/A ARG 292.A N ASP 288.A O no hydrogen 2.908 N/A ARG 292.A NE GLY 340.A O no hydrogen 2.663 N/A ARG 292.A NH1 ASP 288.A OD2 no hydrogen 3.089 N/A ARG 292.A NH1 ASP 289.A OD1 no hydrogen 2.848 N/A ARG 292.A NH2 ASP 288.A OD2 no hydrogen 3.187 N/A ARG 292.A NH2 GLY 340.A O no hydrogen 3.096 N/A ARG 292.A NH2 PHE 341.A O no hydrogen 3.527 N/A ARG 293.A N ASP 289.A O no hydrogen 2.922 N/A ARG 293.A NE ASP 249.A OD1 no hydrogen 2.736 N/A ARG 293.A NH1 ASP 289.A O no hydrogen 3.562 N/A ARG 293.A NH1 ASP 289.A OD2 no hydrogen 3.194 N/A ARG 293.A NH2 GLY 246.A O no hydrogen 2.431 N/A ARG 293.A NH2 ASP 249.A OD1 no hydrogen 2.770 N/A LEU 294.A N VAL 290.A O no hydrogen 3.049 N/A VAL 295.A N VAL 291.A O no hydrogen 3.047 N/A ARG 296.A N ARG 292.A O no hydrogen 2.829 N/A ARG 296.A NH2 TYR 297.A OH no hydrogen 2.843 N/A TYR 297.A N ARG 293.A O no hydrogen 2.910 N/A TYR 297.A N LEU 294.A O no hydrogen 2.992 N/A TYR 297.A OH ASP 249.A OD2 no hydrogen 2.588 N/A GLY 298.A N VAL 295.A O no hydrogen 2.724 N/A LEU 299.A N LEU 294.A O no hydrogen 2.936 N/A GLU 302.A N GLU 302.A OE1 no hydrogen 2.740 N/A ALA 304.A N LYS 300.A O no hydrogen 3.031 N/A LEU 305.A N PRO 301.A O no hydrogen 2.918 N/A ARG 306.A N GLU 302.A O no hydrogen 2.978 N/A ARG 306.A NE VAL 36.A O no hydrogen 2.781 N/A ALA 307.A N TRP 303.A O no hydrogen 2.969 N/A ALA 308.A N ALA 304.A O no hydrogen 3.125 N/A THR 309.A N ARG 306.A O no hydrogen 3.058 N/A THR 309.A OG1 LEU 305.A O no hydrogen 2.747 N/A LEU 310.A N THR 309.A OG1 no hydrogen 2.770 N/A ASN 311.A N ARG 306.A O no hydrogen 3.086 N/A ASN 311.A ND2 VAL 269.A O no hydrogen 3.060 N/A ALA 313.A N THR 309.A O no hydrogen 2.920 N/A GLN 314.A N LEU 310.A O no hydrogen 2.889 N/A ARG 315.A N ASN 311.A O no hydrogen 3.001 N/A ARG 315.A NH1 SER 222.A OG no hydrogen 2.959 N/A ARG 315.A NH2 SER 222.A OG no hydrogen 3.060 N/A LEU 316.A N ALA 312.A O no hydrogen 2.999 N/A GLY 317.A N GLN 314.A O no hydrogen 3.068 N/A ARG 318.A N ALA 313.A O no hydrogen 2.939 N/A ARG 318.A NE ASP 320.A OD1 no hydrogen 2.785 N/A ARG 318.A NE ASP 320.A OD2 no hydrogen 3.433 N/A ARG 318.A NH2 GLU 1.A OE1 no hydrogen 2.893 N/A ARG 318.A NH2 ASP 320.A OD2 no hydrogen 2.794 N/A LEU 321.A N ARG 318.A O no hydrogen 3.028 N/A GLY 327.A N ILE 53.A O no hydrogen 2.936 N/A ARG 328.A N ALA 325.A O no hydrogen 3.175 N/A ARG 328.A NH1 LEU 321.A O no hydrogen 2.893 N/A ARG 329.A N ASP 320.A O no hydrogen 2.854 N/A ARG 329.A NE ASP 320.A OD2 no hydrogen 2.988 N/A ARG 329.A NH1 ASP 4.A OD2 no hydrogen 2.903 N/A ARG 329.A NH1 SER 349.A OG no hydrogen 3.156 N/A ARG 329.A NH2 ASP 4.A OD1 no hydrogen 2.749 N/A ARG 329.A NH2 ASP 4.A OD2 no hydrogen 3.447 N/A ARG 329.A NH2 ASP 320.A OD2 no hydrogen 3.295 N/A ALA 330.A N ALA 51.A O no hydrogen 2.902 N/A ILE 332.A N LEU 347.A O no hydrogen 3.003 N/A VAL 333.A N SER 77.A O no hydrogen 2.787 N/A VAL 334.A N HIS 345.A O no hydrogen 2.844 N/A PHE 335.A N TYR 75.A O no hydrogen 2.867 N/A GLU 336.A N SER 342.A O no hydrogen 2.831 N/A ASN 339.A N ASP 337.A OD1 no hydrogen 2.832 N/A GLY 340.A N ASP 337.A OD1 no hydrogen 2.598 N/A ARG 344.A N VAL 334.A O no hydrogen 2.618 N/A ARG 344.A NE GLU 336.A OE1 no hydrogen 3.078 N/A ARG 344.A NH1 ASP 70.A O no hydrogen 2.921 N/A ARG 344.A NH1 GLY 72.A O no hydrogen 2.977 N/A ARG 344.A NH2 GLY 72.A O no hydrogen 3.119 N/A ARG 344.A NH2 GLU 336.A OE2 no hydrogen 2.768 N/A HIS 345.A N VAL 334.A O no hydrogen 3.396 N/A VAL 346.A N ALA 354.A O no hydrogen 3.223 N/A LEU 347.A N ILE 332.A O no hydrogen 2.851 N/A ALA 348.A N ARG 351.A O no hydrogen 3.062 N/A SER 349.A N ASP 331.A OD1 no hydrogen 2.805 N/A GLY 350.A N ALA 330.A O no hydrogen 2.913 N/A ARG 351.A N ALA 348.A O no hydrogen 3.192 N/A VAL 353.A N VAL 346.A O no hydrogen 2.772 N/A ALA 354.A N VAL 346.A O no hydrogen 3.343 N/A GLU 355.A N ARG 358.A O no hydrogen 2.794 N/A GLY 356.A N ARG 344.A O no hydrogen 2.938 N/A ARG 358.A N GLU 355.A O no hydrogen 2.813 N/A CYS 365.A SG ASP 366.A O no hydrogen 3.965 N/A THR 368.A N ASP 366.A OD1 no hydrogen 3.047 N/A THR 368.A OG1 ASP 366.A OD1 no hydrogen 2.864 N/A LEU 370.A N THR 367.A O no hydrogen 2.745 N/A LYS 371.A N THR 368.A O no hydrogen 3.001 N/A ARG 378.A N ASN 476.A OD1 no hydrogen 2.578 N/A ARG 378.A NE THR 436.A OG1 no hydrogen 3.426 N/A ARG 378.A NH1 PRO 376.A O no hydrogen 2.804 N/A ARG 378.A NH2 PRO 434.A O no hydrogen 2.489 N/A ARG 378.A NH2 THR 436.A OG1 no hydrogen 3.100 N/A PHE 382.A N ALA 379.A O no hydrogen 3.085 N/A LEU 383.A N ASN 380.A O no hydrogen 3.037 N/A SER 386.A N GLY 414.A O no hydrogen 3.135 N/A LYS 390.A NZ ASP 410.A OD1 no hydrogen 3.496 N/A VAL 391.A N ALA 409.A O no hydrogen 2.777 N/A ARG 392.A N GLU 570.A O no hydrogen 2.976 N/A ARG 392.A NE GLU 406.A OE2 no hydrogen 2.593 N/A ARG 392.A NH2 GLU 406.A OE1 no hydrogen 3.200 N/A LEU 393.A N THR 407.A O no hydrogen 2.860 N/A ALA 394.A N PRO 567.A O no hydrogen 2.889 N/A THR 395.A N GLY 405.A O no hydrogen 3.151 N/A ILE 396.A N PHE 440.A O no hydrogen 2.773 N/A ASP 397.A N GLN 403.A O no hydrogen 2.824 N/A ARG 398.A N THR 442.A O no hydrogen 2.916 N/A PHE 401.A N PRO 399.A O no hydrogen 2.877 N/A THR 402.A OG1 ARG 398.A O no hydrogen 3.547 N/A THR 402.A OG1 PRO 550.A O no hydrogen 3.528 N/A GLN 403.A N ASP 397.A O no hydrogen 2.799 N/A TRP 404.A NE1 ASP 558.A OD2 no hydrogen 3.072 N/A GLY 405.A N THR 395.A O no hydrogen 2.946 N/A THR 407.A N LEU 393.A O no hydrogen 2.945 N/A GLU 408.A N THR 407.A OG1 no hydrogen 2.861 N/A ALA 409.A N VAL 391.A O no hydrogen 3.045 N/A VAL 411.A N ALA 389.A O no hydrogen 2.887 N/A LYS 412.A N PHE 415.A O no hydrogen 2.921 N/A PHE 415.A N LYS 412.A O no hydrogen 3.008 N/A VAL 416.A N VAL 384.A O no hydrogen 2.643 N/A VAL 417.A N ASP 410.A O no hydrogen 2.855 N/A ALA 422.A N PRO 419.A O no hydrogen 3.387 N/A THR 423.A N LEU 441.A O no hydrogen 2.859 N/A ILE 424.A N GLY 439.A O no hydrogen 2.934 N/A SER 425.A N VAL 464.A O no hydrogen 2.697 N/A SER 425.A OG THR 438.A OG1 no hydrogen 2.582 N/A VAL 426.A N LYS 437.A O no hydrogen 2.889 N/A THR 427.A N LEU 462.A O no hydrogen 2.862 N/A THR 427.A OG1 THR 436.A OG1 no hydrogen 2.810 N/A HIS 428.A NE2 GLY 154.A O no hydrogen 3.197 N/A ARG 429.A NE HIS 460.A O no hydrogen 2.833 N/A ARG 429.A NH1 SER 373.A O no hydrogen 3.302 N/A ARG 429.A NH1 SER 501.A O no hydrogen 3.128 N/A ARG 429.A NH2 THR 454.A O no hydrogen 3.254 N/A ARG 429.A NH2 HIS 460.A O no hydrogen 3.065 N/A ARG 429.A NH2 SER 501.A O no hydrogen 2.846 N/A HIS 430.A NE2 SER 459.A O no hydrogen 2.872 N/A THR 435.A N GLU 433.A O no hydrogen 2.978 N/A THR 436.A OG1 THR 427.A OG1 no hydrogen 2.810 N/A LYS 437.A N VAL 426.A O no hydrogen 2.841 N/A THR 438.A OG1 SER 425.A OG no hydrogen 2.582 N/A GLY 439.A N ILE 424.A O no hydrogen 2.767 N/A LEU 441.A N THR 423.A O no hydrogen 2.738 N/A THR 442.A N ILE 396.A O no hydrogen 2.948 N/A TRP 447.A NE1 TRP 444.A O no hydrogen 2.922 N/A ASN 448.A N VAL 526.A O no hydrogen 2.715 N/A ASN 448.A ND2 GLU 489.A OE2 no hydrogen 3.247 N/A ALA 450.A N ALA 487.A O no hydrogen 2.838 N/A PHE 451.A N PHE 465.A O no hydrogen 2.804 N/A ALA 452.A N ALA 485.A O no hydrogen 2.929 N/A THR 453.A N THR 463.A O no hydrogen 2.886 N/A THR 453.A OG1 VAL 455.A O no hydrogen 2.852 N/A THR 454.A N GLY 484.A O no hydrogen 2.809 N/A THR 454.A OG1 GLY 502.A O no hydrogen 3.480 N/A VAL 455.A N THR 453.A OG1 no hydrogen 3.101 N/A SER 456.A N HIS 460.A ND1 no hydrogen 2.832 N/A SER 456.A OG THR 463.A OG1 no hydrogen 2.786 N/A SER 456.A OG THR 543.A OG1 no hydrogen 2.922 N/A HIS 457.A N PHE 540.A O no hydrogen 2.856 N/A SER 459.A OG GLU 152.A OE1 no hydrogen 2.799 N/A HIS 460.A N SER 456.A O no hydrogen 2.768 N/A HIS 460.A NE2 GLU 113.A OE1 no hydrogen 2.756 N/A LEU 462.A N THR 427.A O no hydrogen 3.137 N/A THR 463.A N THR 453.A O no hydrogen 2.978 N/A THR 463.A OG1 SER 456.A OG no hydrogen 2.786 N/A THR 463.A OG1 ASN 461.A O no hydrogen 3.087 N/A VAL 464.A N SER 425.A O no hydrogen 2.675 N/A PHE 465.A N PHE 451.A O no hydrogen 2.689 N/A GLY 467.A N GLY 449.A O no hydrogen 2.937 N/A LEU 473.A N GLY 470.A O no hydrogen 3.194 N/A ALA 474.A N ASP 471.A O no hydrogen 2.959 N/A ASN 476.A N ALA 472.A O no hydrogen 3.119 N/A ASN 476.A ND2 ARG 378.A O no hydrogen 2.745 N/A ALA 477.A N LEU 473.A O no hydrogen 3.207 N/A VAL 478.A N ALA 474.A O no hydrogen 3.341 N/A ILE 479.A N ALA 475.A O no hydrogen 2.887 N/A GLY 480.A N ASN 476.A O no hydrogen 3.001 N/A THR 481.A N ALA 477.A O no hydrogen 3.340 N/A THR 481.A OG1 ALA 477.A O no hydrogen 3.219 N/A THR 481.A OG1 VAL 478.A O no hydrogen 2.995 N/A THR 481.A OG1 GLY 483.A O no hydrogen 2.995 N/A GLY 482.A N ILE 479.A O no hydrogen 2.896 N/A GLY 483.A N VAL 478.A O no hydrogen 2.732 N/A VAL 486.A N ALA 494.A O no hydrogen 2.883 N/A ALA 487.A N ALA 450.A O no hydrogen 2.976 N/A SER 488.A N LYS 491.A O no hydrogen 2.857 N/A SER 488.A OG ASN 448.A O no hydrogen 2.542 N/A GLU 489.A N ASP 471.A OD2 no hydrogen 2.947 N/A GLY 490.A N ASP 471.A OD1 no hydrogen 2.812 N/A LYS 491.A N SER 488.A O no hydrogen 3.307 N/A THR 493.A N VAL 486.A O no hydrogen 2.890 N/A THR 493.A OG1 VAL 486.A O no hydrogen 3.531 N/A LEU 498.A N GLY 483.A O no hydrogen 2.759 N/A LEU 500.A N VAL 504.A O no hydrogen 2.957 N/A SER 501.A N LEU 370.A O no hydrogen 2.813 N/A SER 501.A OG HIS 118.A NE2 no hydrogen 2.790 N/A LEU 503.A N LEU 500.A O no hydrogen 2.858 N/A VAL 504.A N LEU 500.A O no hydrogen 2.990 N/A ALA 507.A N SER 505.A OG no hydrogen 2.744 N/A GLU 510.A N GLU 510.A OE1 no hydrogen 2.847 N/A VAL 512.A N PRO 508.A O no hydrogen 3.058 N/A ALA 513.A N LEU 509.A O no hydrogen 2.805 N/A ARG 514.A N GLU 510.A O no hydrogen 3.210 N/A ALA 515.A N GLU 511.A O no hydrogen 2.982 N/A PHE 516.A N VAL 512.A O no hydrogen 2.871 N/A GLU 517.A N ALA 513.A O no hydrogen 2.987 N/A ASP 518.A N ARG 514.A O no hydrogen 3.038 N/A LEU 519.A N ALA 515.A O no hydrogen 2.858 N/A ARG 520.A N PHE 516.A O no hydrogen 2.893 N/A GLU 521.A N GLU 517.A O no hydrogen 2.879 N/A ALA 522.A N ASP 518.A O no hydrogen 2.757 N/A VAL 523.A N LEU 519.A O no hydrogen 2.862 N/A GLY 524.A N ARG 520.A O no hydrogen 2.992 N/A LYS 525.A N ALA 522.A O no hydrogen 3.098 N/A VAL 526.A N VAL 523.A O no hydrogen 2.873 N/A VAL 527.A N VAL 523.A O no hydrogen 3.393 N/A GLN 530.A N LEU 534.A O no hydrogen 2.721 N/A LEU 534.A N PRO 532.A O no hydrogen 2.700 N/A LYS 537.A NZ ASP 275.A OD2 no hydrogen 3.509 N/A ALA 538.A N VAL 535.A O no hydrogen 3.058 N/A CYS 539.A N PHE 536.A O no hydrogen 2.798 N/A PHE 540.A N LYS 537.A O no hydrogen 3.133 N/A GLY 541.A N ALA 538.A O no hydrogen 3.181 N/A THR 543.A OG1 SER 456.A OG no hydrogen 2.922 N/A THR 543.A OG1 HIS 457.A O no hydrogen 3.503 N/A ASN 547.A N LEU 544.A O no hydrogen 3.038 N/A HIS 551.A N ALA 557.A O no hydrogen 3.154 N/A HIS 551.A NE2 ILE 548.A O no hydrogen 3.290 N/A GLN 552.A NE2 THR 553.A O no hydrogen 3.145 N/A THR 553.A N GLY 555.A O no hydrogen 2.850 N/A THR 553.A OG1 LEU 151.A O no hydrogen 2.746 N/A THR 553.A OG1 GLY 555.A O no hydrogen 3.296 N/A ALA 557.A N HIS 551.A O no hydrogen 2.727 N/A ASP 558.A N LYS 563.A O no hydrogen 3.050 N/A LEU 560.A N ASP 558.A OD1 no hydrogen 2.837 N/A THR 561.A N ASP 558.A O no hydrogen 3.141 N/A THR 561.A OG1 ASP 558.A O no hydrogen 3.312 N/A GLY 562.A N ASP 558.A O no hydrogen 2.843 N/A LYS 563.A N THR 561.A OG1 no hydrogen 3.252 N/A VAL 568.A N SER 566.A OG no hydrogen 3.173 N/A ILE 569.A N ARG 392.A O no hydrogen 2.778 N/A GLU 570.A N ARG 392.A O no hydrogen 3.374 N/A