Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jne_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 137.A OE2 no hydrogen 2.705 N/A LYS 3.A NZ MET 19.A O no hydrogen 2.723 N/A ILE 5.A N GLU 137.A O no hydrogen 3.147 N/A GLY 6.A N ALA 17.A O no hydrogen 2.887 N/A ILE 7.A N VAL 139.A O no hydrogen 2.804 N/A ASP 8.A N CYS 15.A O no hydrogen 2.754 N/A LEU 9.A N THR 141.A OG1 no hydrogen 3.331 N/A GLY 10.A N SER 14.A OG no hydrogen 3.243 N/A SER 14.A N THR 36.A O no hydrogen 2.683 N/A SER 14.A OG SER 38.A OG no hydrogen 2.814 N/A CYS 15.A N ASP 8.A O no hydrogen 3.036 N/A CYS 15.A SG ARG 34.A O no hydrogen 3.440 N/A ALA 17.A N GLY 6.A O no hydrogen 2.870 N/A ILE 18.A N ARG 25.A O no hydrogen 2.840 N/A ASP 20.A N THR 23.A O no hydrogen 2.639 N/A THR 23.A N ASP 20.A O no hydrogen 3.124 N/A ARG 25.A N ILE 18.A O no hydrogen 2.782 N/A ARG 25.A NE ASP 20.A OD2 no hydrogen 3.354 N/A LEU 27.A N VAL 16.A O no hydrogen 2.939 N/A ASN 29.A N ASP 33.A O no hydrogen 2.839 N/A ASN 29.A ND2 THR 36.A OG1 no hydrogen 2.937 N/A GLY 32.A N ASN 29.A O no hydrogen 2.865 N/A ASP 33.A N ASN 29.A OD1 no hydrogen 2.900 N/A ARG 34.A NE GLU 369.A OE2 no hydrogen 2.770 N/A ARG 34.A NH2 GLU 369.A OE1 no hydrogen 2.806 N/A THR 36.A N SER 14.A O no hydrogen 2.780 N/A SER 38.A N THR 12.A O no hydrogen 2.771 N/A SER 38.A OG GLY 10.A O no hydrogen 2.761 N/A SER 38.A OG SER 14.A OG no hydrogen 2.814 N/A ILE 39.A N PRO 37.A O no hydrogen 2.750 N/A ILE 40.A N LEU 66.A O no hydrogen 2.912 N/A ALA 41.A N LEU 49.A O no hydrogen 2.802 N/A TYR 42.A N ASN 64.A O no hydrogen 3.121 N/A THR 43.A N GLU 47.A O no hydrogen 2.743 N/A THR 43.A OG1 ASP 45.A OD1 no hydrogen 2.743 N/A THR 43.A OG1 GLU 47.A O no hydrogen 3.350 N/A GLY 46.A N THR 43.A O no hydrogen 2.866 N/A GLU 47.A N THR 43.A OG1 no hydrogen 2.696 N/A LEU 49.A N ALA 41.A O no hydrogen 2.631 N/A GLY 51.A N ILE 39.A O no hydrogen 3.010 N/A LYS 55.A N GLY 51.A O no hydrogen 2.900 N/A ARG 56.A N GLN 52.A O no hydrogen 2.855 N/A GLN 57.A N ALA 54.A O no hydrogen 3.322 N/A ALA 58.A N LYS 55.A O no hydrogen 3.395 N/A THR 60.A N GLN 57.A O no hydrogen 3.201 N/A THR 60.A OG1 GLN 57.A O no hydrogen 3.232 N/A ASN 61.A N ALA 58.A O no hydrogen 3.170 N/A ASN 61.A ND2 TYR 42.A O no hydrogen 3.028 N/A ASN 64.A N ASN 61.A O no hydrogen 3.209 N/A THR 65.A OG1 GLN 57.A OE1 no hydrogen 2.889 N/A THR 65.A OG1 ASN 61.A O no hydrogen 2.775 N/A LEU 66.A N ILE 40.A O no hydrogen 2.641 N/A LYS 70.A NZ LEU 9.A O no hydrogen 2.849 N/A LYS 70.A NZ GLU 171.A OE1 no hydrogen 3.567 N/A LYS 70.A NZ GLU 171.A OE2 no hydrogen 2.864 N/A ARG 71.A N ALA 68.A O no hydrogen 2.923 N/A ARG 71.A NH1 GLY 198.A O no hydrogen 2.902 N/A ARG 71.A NH1 ASP 231.A OD2 no hydrogen 2.981 N/A ARG 71.A NH2 ASP 231.A OD1 no hydrogen 2.778 N/A ARG 71.A NH2 ASP 231.A OD2 no hydrogen 3.466 N/A LEU 72.A N ILE 69.A O no hydrogen 2.857 N/A ILE 73.A N ILE 69.A O no hydrogen 2.947 N/A ARG 75.A N LEU 72.A O no hydrogen 2.989 N/A ARG 75.A NE ARG 71.A O no hydrogen 2.871 N/A ARG 75.A NH2 THR 225.A OG1 no hydrogen 2.969 N/A ARG 76.A N ASP 79.A OD2 no hydrogen 2.823 N/A ARG 76.A NH1 SER 449.A O no hydrogen 3.493 N/A PHE 77.A N GLY 99.A O no hydrogen 2.863 N/A ASP 79.A N ARG 76.A O no hydrogen 2.929 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.611 N/A GLN 83.A N ASP 79.A O no hydrogen 2.773 N/A GLN 83.A NE2 PHE 77.A O no hydrogen 2.799 N/A ARG 84.A N GLU 80.A O no hydrogen 3.043 N/A ASP 85.A N GLU 81.A O no hydrogen 3.226 N/A VAL 86.A N VAL 82.A O no hydrogen 2.831 N/A SER 87.A N ARG 84.A O no hydrogen 3.234 N/A SER 87.A OG ARG 84.A O no hydrogen 2.791 N/A ILE 88.A N ASP 85.A O no hydrogen 2.822 N/A MET 89.A N ASP 85.A O no hydrogen 2.771 N/A LYS 92.A NZ GLU 104.A OE2 no hydrogen 3.003 N/A ILE 94.A N TRP 102.A O no hydrogen 2.866 N/A ALA 96.A N ASP 100.A O no hydrogen 2.829 N/A ASN 98.A ND2 ASP 100.A OD2 no hydrogen 2.978 N/A GLY 99.A N ALA 96.A O no hydrogen 2.942 N/A ASP 100.A N ASN 98.A OD1 no hydrogen 2.991 N/A ALA 101.A N ARG 75.A O no hydrogen 2.897 N/A TRP 102.A N ILE 94.A O no hydrogen 2.900 N/A VAL 103.A N MET 110.A O no hydrogen 2.946 N/A GLU 104.A N LYS 92.A O no hydrogen 2.880 N/A VAL 105.A N GLN 108.A O no hydrogen 2.908 N/A GLN 108.A N VAL 105.A O no hydrogen 2.830 N/A MET 110.A N VAL 103.A O no hydrogen 2.722 N/A ALA 111.A N GLN 114.A OE1 no hydrogen 2.852 N/A GLN 114.A N ALA 111.A O no hydrogen 2.836 N/A ILE 115.A N ALA 111.A O no hydrogen 3.393 N/A ILE 115.A N PRO 112.A O no hydrogen 2.964 N/A SER 116.A N PRO 112.A O no hydrogen 2.934 N/A SER 116.A OG PRO 112.A O no hydrogen 3.532 N/A ALA 117.A N PRO 113.A O no hydrogen 2.855 N/A GLU 118.A N ILE 115.A O no hydrogen 2.951 N/A LEU 120.A N SER 116.A O no hydrogen 2.954 N/A LYS 121.A N ALA 117.A O no hydrogen 2.755 N/A LYS 121.A NZ GLU 118.A OE1 no hydrogen 3.470 N/A LYS 121.A NZ GLU 118.A OE2 no hydrogen 3.474 N/A LYS 121.A NZ ALA 515.A O no hydrogen 2.916 N/A LYS 122.A N GLU 118.A O no hydrogen 3.241 N/A LYS 122.A NZ GLU 31.A OE1 no hydrogen 2.857 N/A LYS 122.A NZ GLU 31.A OE2 no hydrogen 3.456 N/A MET 123.A N VAL 119.A O no hydrogen 3.059 N/A LYS 124.A N LEU 120.A O no hydrogen 2.829 N/A LYS 124.A NZ GLU 128.A OE2 no hydrogen 2.756 N/A LYS 124.A NZ VAL 135.A O no hydrogen 2.900 N/A LYS 125.A N LYS 121.A O no hydrogen 2.892 N/A LYS 125.A NZ ASP 129.A OD1 no hydrogen 2.847 N/A LYS 125.A NZ ASP 129.A OD2 no hydrogen 3.446 N/A THR 126.A N LYS 122.A O no hydrogen 2.908 N/A THR 126.A OG1 LYS 122.A O no hydrogen 2.754 N/A ALA 127.A N MET 123.A O no hydrogen 3.130 N/A GLU 128.A N LYS 124.A O no hydrogen 2.908 N/A ASP 129.A N LYS 125.A O no hydrogen 2.802 N/A TYR 130.A N THR 126.A O no hydrogen 3.210 N/A LEU 131.A N ALA 127.A O no hydrogen 2.838 N/A GLY 132.A N GLU 128.A O no hydrogen 2.839 N/A VAL 135.A N GLU 128.A OE2 no hydrogen 2.785 N/A ALA 138.A N GLU 164.A O no hydrogen 3.007 N/A VAL 139.A N ILE 5.A O no hydrogen 2.762 N/A ILE 140.A N ARG 167.A O no hydrogen 3.069 N/A THR 141.A N ILE 7.A O no hydrogen 3.130 N/A THR 141.A OG1 ASP 8.A OD1 no hydrogen 3.535 N/A THR 141.A OG1 GLU 171.A OE2 no hydrogen 2.844 N/A VAL 142.A N ILE 169.A O no hydrogen 2.943 N/A ALA 144.A N ASP 201.A OD2 no hydrogen 2.631 N/A TYR 145.A N ASP 201.A OD1 no hydrogen 3.077 N/A PHE 146.A N PRO 143.A O no hydrogen 3.014 N/A ASN 147.A N GLN 150.A OE1 no hydrogen 2.838 N/A ASP 148.A N GLN 438.A OE1 no hydrogen 2.992 N/A GLN 150.A N ASN 147.A OD1 no hydrogen 2.938 N/A ARG 151.A N ASN 147.A O no hydrogen 2.997 N/A ARG 151.A NE PHE 146.A O no hydrogen 3.060 N/A ARG 151.A NH1 ASN 170.A OD1 no hydrogen 2.768 N/A ARG 151.A NH1 ASP 477.A O no hydrogen 3.097 N/A ARG 151.A NH2 PHE 146.A O no hydrogen 3.441 N/A ARG 151.A NH2 ASN 170.A OD1 no hydrogen 2.705 N/A GLN 152.A N ASP 148.A O no hydrogen 2.920 N/A GLN 152.A NE2 ASP 156.A OD1 no hydrogen 2.847 N/A ALA 153.A N ALA 149.A O no hydrogen 2.990 N/A THR 154.A N GLN 150.A O no hydrogen 3.094 N/A THR 154.A OG1 GLN 150.A O no hydrogen 2.856 N/A LYS 155.A N ARG 151.A O no hydrogen 2.934 N/A ASP 156.A N GLN 152.A O no hydrogen 2.745 N/A ALA 157.A N ALA 153.A O no hydrogen 2.971 N/A GLY 158.A N THR 154.A O no hydrogen 3.148 N/A ARG 159.A N LYS 155.A O no hydrogen 3.130 N/A ARG 159.A NH1 GLU 505.A OE1 no hydrogen 2.850 N/A ARG 159.A NH1 GLU 505.A OE2 no hydrogen 3.482 N/A ARG 159.A NH2 GLU 505.A OE2 no hydrogen 2.696 N/A ILE 160.A N ASP 156.A O no hydrogen 2.973 N/A ALA 161.A N ALA 157.A O no hydrogen 3.068 N/A GLY 162.A N ARG 159.A O no hydrogen 2.866 N/A LEU 163.A N GLY 158.A O no hydrogen 2.878 N/A GLU 164.A N THR 136.A O no hydrogen 2.719 N/A LYS 166.A N ALA 138.A O no hydrogen 2.926 N/A LYS 166.A NZ GLU 164.A OE2 no hydrogen 2.941 N/A ILE 168.A N ASP 477.A OD1 no hydrogen 2.767 N/A ILE 169.A N ILE 140.A O no hydrogen 2.949 N/A ASN 170.A ND2 ASP 393.A OD2 no hydrogen 2.999 N/A GLU 171.A N VAL 142.A O no hydrogen 2.874 N/A THR 173.A OG1 ASP 393.A OD2 no hydrogen 2.652 N/A ALA 174.A N ASN 170.A O no hydrogen 3.011 N/A ALA 175.A N GLU 171.A O no hydrogen 2.969 N/A ALA 176.A N PRO 172.A O no hydrogen 2.947 N/A LEU 177.A N THR 173.A O no hydrogen 3.122 N/A ALA 178.A N ALA 174.A O no hydrogen 3.158 N/A TYR 179.A N ALA 175.A O no hydrogen 2.926 N/A TYR 179.A OH ASP 336.A OD2 no hydrogen 2.906 N/A GLY 180.A N ALA 176.A O no hydrogen 2.710 N/A THR 185.A OG1 ASP 182.A O no hydrogen 2.712 N/A ARG 188.A N ILE 207.A O no hydrogen 2.957 N/A ARG 188.A NE THR 185.A O no hydrogen 2.938 N/A ARG 188.A NH1 ASP 336.A OD2 no hydrogen 2.614 N/A THR 189.A N ASP 335.A OD2 no hydrogen 2.796 N/A ILE 190.A N ILE 205.A O no hydrogen 2.868 N/A ALA 191.A N ASP 336.A O no hydrogen 2.849 N/A VAL 192.A N SER 203.A O no hydrogen 2.831 N/A TYR 193.A N ILE 338.A O no hydrogen 2.812 N/A TYR 193.A OH SER 316.A OG no hydrogen 2.598 N/A ASP 194.A N ASP 201.A O no hydrogen 2.905 N/A LEU 195.A N VAL 340.A O no hydrogen 2.971 N/A GLY 196.A N ALA 199.A O no hydrogen 3.125 N/A PHE 200.A N ASP 224.A O no hydrogen 2.800 N/A ASP 201.A N ASP 194.A O no hydrogen 2.968 N/A ILE 202.A N ASN 222.A O no hydrogen 2.804 N/A SER 203.A N VAL 192.A O no hydrogen 3.076 N/A SER 203.A OG THR 221.A OG1 no hydrogen 2.828 N/A ILE 204.A N ALA 220.A O no hydrogen 2.885 N/A ILE 205.A N ILE 190.A O no hydrogen 2.889 N/A GLU 206.A N GLU 217.A O no hydrogen 2.843 N/A ILE 207.A N ARG 188.A O no hydrogen 2.824 N/A ASP 208.A N THR 215.A O no hydrogen 2.851 N/A GLU 209.A N ASP 208.A OD1 no hydrogen 2.602 N/A VAL 210.A N GLU 213.A O no hydrogen 2.916 N/A GLU 213.A N VAL 210.A O no hydrogen 3.074 N/A LYS 214.A N ASP 388.A O no hydrogen 2.907 N/A THR 215.A N ASP 208.A O no hydrogen 2.881 N/A PHE 216.A N LEU 390.A O no hydrogen 2.804 N/A GLU 217.A N GLU 206.A O no hydrogen 2.902 N/A VAL 218.A N LEU 392.A O no hydrogen 2.874 N/A LEU 219.A N ILE 204.A O no hydrogen 2.775 N/A THR 221.A N ASN 415.A OD1 no hydrogen 3.028 N/A THR 221.A OG1 ILE 202.A O no hydrogen 3.242 N/A THR 221.A OG1 SER 203.A OG no hydrogen 2.828 N/A ASN 222.A N ILE 202.A O no hydrogen 2.824 N/A GLY 223.A N ASN 222.A OD1 no hydrogen 2.892 N/A ASP 224.A N PHE 200.A O no hydrogen 2.811 N/A HIS 226.A N ASP 224.A OD1 no hydrogen 2.896 N/A HIS 226.A NE2 ASP 85.A OD2 no hydrogen 3.068 N/A GLY 228.A N ASP 231.A OD2 no hydrogen 2.929 N/A GLY 229.A N GLY 196.A O no hydrogen 2.774 N/A GLU 230.A N GLY 197.A O no hydrogen 2.871 N/A ASP 231.A N GLY 228.A O no hydrogen 2.829 N/A ASP 233.A N GLY 229.A O no hydrogen 2.957 N/A SER 234.A N GLU 230.A O no hydrogen 3.029 N/A ARG 235.A N ASP 231.A O no hydrogen 3.178 N/A ARG 235.A NH1 LEU 308.A O no hydrogen 2.890 N/A ARG 235.A NH1 ASP 311.A OD1 no hydrogen 2.719 N/A ARG 235.A NH1 ASP 311.A OD2 no hydrogen 3.426 N/A ARG 235.A NH2 ASP 311.A OD2 no hydrogen 2.813 N/A LEU 236.A N PHE 232.A O no hydrogen 3.166 N/A ILE 237.A N ASP 233.A O no hydrogen 2.737 N/A ASN 238.A N SER 234.A O no hydrogen 2.940 N/A TYR 239.A N ARG 235.A O no hydrogen 3.202 N/A LEU 240.A N LEU 236.A O no hydrogen 2.972 N/A VAL 241.A N ILE 237.A O no hydrogen 2.864 N/A GLU 242.A N ASN 238.A O no hydrogen 2.942 N/A GLU 243.A N TYR 239.A O no hydrogen 2.885 N/A PHE 244.A N LEU 240.A O no hydrogen 2.984 N/A LYS 245.A N VAL 241.A O no hydrogen 2.933 N/A LYS 245.A NZ ASP 251.A OD2 no hydrogen 2.964 N/A LYS 246.A N GLU 242.A O no hydrogen 2.928 N/A LYS 246.A NZ GLU 243.A OE2 no hydrogen 3.525 N/A ASP 247.A N GLU 243.A O no hydrogen 2.866 N/A GLN 248.A N PHE 244.A O no hydrogen 2.691 N/A GLY 249.A N LYS 245.A O no hydrogen 2.797 N/A ARG 253.A N ASP 251.A OD1 no hydrogen 2.982 N/A ASP 255.A N LEU 252.A O no hydrogen 2.946 N/A ALA 258.A N ASP 255.A OD1 no hydrogen 3.056 N/A MET 259.A N ASP 255.A O no hydrogen 2.873 N/A GLN 260.A N PRO 256.A O no hydrogen 3.019 N/A ARG 261.A N LEU 257.A O no hydrogen 3.127 N/A ARG 261.A NH1 PRO 284.A O no hydrogen 2.995 N/A ARG 261.A NH1 TYR 285.A O no hydrogen 3.244 N/A ARG 261.A NH2 PRO 284.A O no hydrogen 2.884 N/A LEU 262.A N ALA 258.A O no hydrogen 2.886 N/A LYS 263.A N MET 259.A O no hydrogen 2.925 N/A GLU 264.A N GLN 260.A O no hydrogen 3.175 N/A ALA 265.A N ARG 261.A O no hydrogen 2.945 N/A ALA 266.A N LEU 262.A O no hydrogen 2.775 N/A GLU 267.A N LYS 263.A O no hydrogen 3.129 N/A LYS 268.A N GLU 264.A O no hydrogen 3.167 N/A LYS 268.A NZ GLU 264.A OE1 no hydrogen 3.355 N/A ALA 269.A N ALA 265.A O no hydrogen 2.876 N/A LYS 270.A N ALA 266.A O no hydrogen 2.863 N/A LYS 270.A NZ GLY 229.A O no hydrogen 3.535 N/A LYS 270.A NZ ASP 233.A OD1 no hydrogen 2.867 N/A LYS 270.A NZ GLN 343.A OE1 no hydrogen 2.917 N/A ILE 271.A N GLU 267.A O no hydrogen 2.922 N/A GLU 272.A N LYS 268.A O no hydrogen 2.959 N/A LEU 273.A N ALA 269.A O no hydrogen 3.111 N/A LEU 273.A N LYS 270.A O no hydrogen 3.184 N/A SER 274.A N ILE 271.A O no hydrogen 3.143 N/A SER 275.A N GLU 272.A O no hydrogen 3.068 N/A SER 275.A OG GLU 272.A O no hydrogen 3.261 N/A ALA 276.A N GLU 272.A O no hydrogen 2.785 N/A THR 279.A N VAL 300.A O no hydrogen 2.812 N/A THR 279.A OG1 GLU 272.A OE1 no hydrogen 2.706 N/A VAL 281.A N ILE 298.A O no hydrogen 2.939 N/A LEU 283.A N MET 296.A O no hydrogen 2.781 N/A ILE 286.A N LYS 294.A O no hydrogen 2.962 N/A ALA 288.A N THR 287.A OG1 no hydrogen 2.673 N/A ASP 289.A N GLY 292.A O no hydrogen 2.634 N/A GLY 292.A N ASP 289.A O no hydrogen 2.768 N/A LYS 294.A N THR 287.A O no hydrogen 2.783 N/A LYS 294.A NZ THR 291.A OG1 no hydrogen 3.137 N/A MET 296.A N LEU 283.A O no hydrogen 2.968 N/A ASN 297.A ND2 ASN 282.A OD1 no hydrogen 3.069 N/A ILE 298.A N VAL 281.A O no hydrogen 3.025 N/A VAL 300.A N THR 279.A O no hydrogen 2.845 N/A ARG 302.A N GLN 277.A O no hydrogen 2.835 N/A ARG 302.A NE LEU 273.A O no hydrogen 2.852 N/A ARG 302.A NH2 ALA 276.A O no hydrogen 2.787 N/A LYS 304.A N THR 301.A OG1 no hydrogen 2.999 N/A LEU 305.A N THR 301.A O no hydrogen 3.179 N/A GLU 306.A N ARG 302.A O no hydrogen 2.896 N/A SER 307.A N ALA 303.A O no hydrogen 3.122 N/A SER 307.A OG LYS 304.A O no hydrogen 2.664 N/A LEU 308.A N LYS 304.A O no hydrogen 3.135 N/A LEU 308.A N LEU 305.A O no hydrogen 2.932 N/A VAL 309.A N GLU 306.A O no hydrogen 3.386 N/A VAL 313.A N VAL 309.A O no hydrogen 3.170 N/A ASN 314.A N GLU 310.A O no hydrogen 2.860 N/A ARG 315.A N ASP 311.A O no hydrogen 2.857 N/A SER 316.A N VAL 313.A O no hydrogen 2.950 N/A SER 316.A OG TYR 193.A OH no hydrogen 2.598 N/A SER 316.A OG VAL 313.A O no hydrogen 2.636 N/A ILE 317.A N ASN 314.A O no hydrogen 3.023 N/A LEU 320.A N ILE 317.A O no hydrogen 2.932 N/A LYS 321.A N ILE 317.A O no hydrogen 3.339 N/A LYS 321.A NZ GLU 318.A OE2 no hydrogen 2.833 N/A VAL 322.A N GLU 318.A O no hydrogen 3.240 N/A ALA 323.A N PRO 319.A O no hydrogen 2.840 N/A LEU 324.A N LEU 320.A O no hydrogen 3.059 N/A GLN 325.A N LYS 321.A O no hydrogen 2.997 N/A ASP 326.A N VAL 322.A O no hydrogen 2.711 N/A ALA 327.A N ALA 323.A O no hydrogen 2.787 N/A GLY 328.A N GLN 325.A O no hydrogen 3.074 N/A LEU 329.A N LEU 324.A O no hydrogen 3.075 N/A SER 330.A N ASP 333.A OD2 no hydrogen 2.907 N/A SER 330.A OG SER 332.A OG no hydrogen 3.172 N/A SER 330.A OG ASP 333.A OD2 no hydrogen 3.477 N/A SER 332.A OG SER 330.A OG no hydrogen 3.172 N/A ASP 333.A N SER 330.A O no hydrogen 2.918 N/A ILE 334.A N VAL 331.A O no hydrogen 2.864 N/A ASP 335.A N THR 189.A O no hydrogen 2.763 N/A ASP 336.A N THR 189.A O no hydrogen 3.411 N/A ILE 338.A N ALA 191.A O no hydrogen 2.795 N/A VAL 340.A N TYR 193.A O no hydrogen 2.831 N/A GLY 341.A N PRO 367.A O no hydrogen 3.014 N/A GLN 343.A NE2 GLN 343.A O no hydrogen 3.175 N/A THR 344.A N GLY 341.A O no hydrogen 3.117 N/A THR 344.A OG1 GLY 341.A O no hydrogen 2.707 N/A ARG 345.A N GLY 342.A O no hydrogen 3.092 N/A ARG 345.A NH2 ASP 368.A OD2 no hydrogen 2.927 N/A MET 346.A N GLN 343.A O no hydrogen 3.392 N/A GLN 350.A N MET 346.A O no hydrogen 3.028 N/A GLN 350.A NE2 THR 344.A O no hydrogen 3.111 N/A LYS 351.A N PRO 347.A O no hydrogen 2.776 N/A LYS 352.A N MET 348.A O no hydrogen 2.920 N/A LYS 352.A NZ GLU 310.A OE2 no hydrogen 2.810 N/A LYS 352.A NZ ASN 314.A OD1 no hydrogen 2.861 N/A VAL 353.A N VAL 349.A O no hydrogen 2.999 N/A ALA 354.A N GLN 350.A O no hydrogen 2.859 N/A GLU 355.A N LYS 351.A O no hydrogen 2.890 N/A PHE 356.A N LYS 352.A O no hydrogen 2.971 N/A PHE 357.A N VAL 353.A O no hydrogen 3.014 N/A GLY 358.A N ALA 354.A O no hydrogen 2.754 N/A LYS 359.A N ALA 354.A O no hydrogen 3.206 N/A LYS 359.A NZ ILE 334.A O no hydrogen 3.184 N/A LYS 359.A NZ ASP 335.A O no hydrogen 2.676 N/A ARG 362.A N VAL 337.A O no hydrogen 2.968 N/A ARG 362.A NE ASP 364.A OD1 no hydrogen 2.818 N/A ARG 362.A NE ASP 364.A OD2 no hydrogen 3.433 N/A ARG 362.A NH1 ASP 336.A OD1 no hydrogen 3.145 N/A ARG 362.A NH2 ASP 364.A OD2 no hydrogen 2.777 N/A ASP 368.A N ASN 366.A OD1 no hydrogen 2.868 N/A GLU 369.A N ASN 366.A O no hydrogen 3.446 N/A GLU 369.A N ASN 366.A OD1 no hydrogen 3.014 N/A ALA 370.A N ASN 366.A O no hydrogen 3.067 N/A ILE 373.A N GLU 369.A O no hydrogen 3.010 N/A GLY 374.A N ALA 370.A O no hydrogen 2.920 N/A ALA 375.A N VAL 371.A O no hydrogen 2.957 N/A ALA 376.A N ALA 372.A O no hydrogen 3.007 N/A VAL 377.A N ILE 373.A O no hydrogen 2.951 N/A GLN 378.A N GLY 374.A O no hydrogen 2.888 N/A GLN 378.A NE2 GLN 378.A O no hydrogen 3.070 N/A GLY 379.A N ALA 375.A O no hydrogen 3.017 N/A GLY 380.A N ALA 376.A O no hydrogen 2.985 N/A VAL 381.A N VAL 377.A O no hydrogen 2.875 N/A LEU 382.A N GLN 378.A O no hydrogen 3.021 N/A THR 383.A N GLY 379.A O no hydrogen 2.959 N/A THR 383.A OG1 GLY 380.A O no hydrogen 3.428 N/A GLY 384.A N VAL 381.A O no hydrogen 3.334 N/A VAL 386.A N GLY 380.A O no hydrogen 2.762 N/A LYS 387.A NZ GLY 384.A O no hydrogen 2.985 N/A LEU 390.A N LYS 214.A O no hydrogen 2.939 N/A LEU 392.A N PHE 216.A O no hydrogen 2.700 N/A VAL 394.A N ASP 393.A OD1 no hydrogen 2.669 N/A THR 395.A N THR 416.A O no hydrogen 2.948 N/A SER 398.A N GLU 440.A OE2 no hydrogen 2.898 N/A SER 398.A OG GLU 440.A OE1 no hydrogen 2.650 N/A LEU 399.A N ILE 412.A O no hydrogen 2.711 N/A GLY 400.A N LEU 437.A O no hydrogen 2.842 N/A ILE 401.A N THR 409.A O no hydrogen 2.862 N/A GLU 402.A N HIS 435.A O no hydrogen 2.879 N/A THR 403.A N VAL 407.A O no hydrogen 2.987 N/A THR 403.A OG1 THR 409.A OG1 no hydrogen 2.537 N/A GLY 406.A N THR 403.A O no hydrogen 3.019 N/A VAL 407.A N THR 403.A O no hydrogen 3.269 N/A MET 408.A N LYS 442.A O no hydrogen 2.912 N/A THR 409.A N ILE 401.A O no hydrogen 2.929 N/A THR 409.A OG1 THR 403.A OG1 no hydrogen 2.537 N/A LEU 411.A N LEU 399.A O no hydrogen 2.732 N/A ILE 412.A N LEU 399.A O no hydrogen 3.039 N/A LYS 414.A N SER 398.A OG no hydrogen 2.965 N/A LYS 414.A NZ ASP 326.A OD1 no hydrogen 3.412 N/A LYS 414.A NZ ASP 326.A OD2 no hydrogen 2.649 N/A ASN 415.A N THR 395.A O no hydrogen 2.677 N/A THR 416.A N ALA 413.A O no hydrogen 3.300 N/A THR 416.A OG1 ALA 413.A O no hydrogen 2.656 N/A ILE 418.A N ASP 393.A O no hydrogen 2.942 N/A THR 420.A N ILE 474.A O no hydrogen 3.011 N/A LYS 421.A NZ ASP 473.A OD1 no hydrogen 2.868 N/A HIS 422.A N PHE 472.A O no hydrogen 2.970 N/A HIS 422.A NE2 GLN 424.A OE1 no hydrogen 3.042 N/A SER 423.A OG THR 471.A OG1 no hydrogen 2.566 N/A GLN 424.A N VAL 470.A O no hydrogen 3.030 N/A PHE 426.A N ILE 468.A O no hydrogen 2.849 N/A SER 427.A OG GLY 430.A O no hydrogen 2.652 N/A GLY 429.A N SER 427.A OG no hydrogen 2.757 N/A VAL 432.A N LEU 455.A O no hydrogen 2.946 N/A ILE 434.A N PHE 453.A O no hydrogen 2.851 N/A HIS 435.A ND1 GLU 402.A OE1 no hydrogen 2.738 N/A HIS 435.A NE2 SER 449.A OG no hydrogen 2.675 N/A VAL 436.A N GLY 451.A O no hydrogen 3.075 N/A LEU 437.A N GLY 400.A O no hydrogen 2.783 N/A GLN 438.A N LYS 448.A O no hydrogen 2.844 N/A GLY 439.A N SER 398.A O no hydrogen 2.957 N/A ARG 441.A N ASN 447.A OD1 no hydrogen 2.915 N/A ARG 443.A NH1 GLY 405.A O no hydrogen 3.038 N/A ARG 443.A NH2 GLY 405.A O no hydrogen 2.957 N/A ALA 444.A N GLY 406.A O no hydrogen 3.052 N/A ASP 446.A N ARG 443.A O no hydrogen 2.974 N/A ASN 447.A N ALA 444.A O no hydrogen 2.961 N/A ASN 447.A ND2 ARG 441.A O no hydrogen 2.787 N/A LYS 448.A N GLN 438.A O no hydrogen 2.992 N/A SER 449.A OG HIS 435.A NE2 no hydrogen 2.675 N/A LEU 450.A N VAL 436.A O no hydrogen 2.762 N/A GLN 452.A N LYS 498.A O no hydrogen 2.849 N/A PHE 453.A N ILE 434.A O no hydrogen 2.723 N/A ASN 454.A N THR 496.A O no hydrogen 2.827 N/A LEU 455.A N VAL 432.A O no hydrogen 2.763 N/A ILE 458.A N GLY 429.A O no hydrogen 2.642 N/A GLY 464.A N ALA 461.A O no hydrogen 2.784 N/A MET 465.A N ASN 488.A OD1 no hydrogen 2.954 N/A GLN 467.A N ASP 486.A OD1 no hydrogen 2.898 N/A GLN 467.A NE2 MET 465.A O no hydrogen 2.804 N/A ILE 468.A N SER 427.A O no hydrogen 2.927 N/A GLU 469.A N LYS 485.A O no hydrogen 2.877 N/A VAL 470.A N GLN 424.A O no hydrogen 2.804 N/A THR 471.A N SER 483.A O no hydrogen 2.768 N/A THR 471.A OG1 SER 423.A OG no hydrogen 2.566 N/A PHE 472.A N HIS 422.A O no hydrogen 2.770 N/A ASP 473.A N HIS 481.A O no hydrogen 2.943 N/A ILE 474.A N THR 420.A O no hydrogen 2.879 N/A ASP 475.A N ILE 479.A O no hydrogen 2.965 N/A ASP 477.A N ASP 475.A OD1 no hydrogen 2.865 N/A GLY 478.A N ASP 475.A O no hydrogen 2.876 N/A ILE 479.A N ASP 475.A OD1 no hydrogen 2.921 N/A LEU 480.A N ASP 148.A OD1 no hydrogen 2.789 N/A HIS 481.A N ASP 473.A O no hydrogen 2.705 N/A HIS 481.A NE2 ASP 475.A OD2 no hydrogen 2.762 N/A SER 483.A N THR 471.A O no hydrogen 3.007 N/A LYS 485.A N GLU 469.A O no hydrogen 3.060 N/A ASP 486.A N LYS 491.A O no hydrogen 2.939 N/A LYS 487.A N GLN 467.A O no hydrogen 2.995 N/A LYS 487.A NZ GLU 469.A OE2 no hydrogen 3.403 N/A ASN 488.A N ASP 486.A OD1 no hydrogen 2.850 N/A SER 489.A N ASP 486.A O no hydrogen 3.182 N/A GLY 490.A N ASP 486.A O no hydrogen 2.586 N/A LYS 491.A N SER 489.A OG no hydrogen 3.200 N/A GLN 493.A N ALA 484.A O no hydrogen 2.904 N/A GLN 493.A NE2 LYS 491.A O no hydrogen 2.959 N/A THR 496.A N ASN 454.A O no hydrogen 2.944 N/A LYS 498.A N GLN 452.A O no hydrogen 2.791 N/A SER 501.A OG ASP 100.A OD1 no hydrogen 2.599 N/A SER 501.A OG ASP 100.A OD2 no hydrogen 3.331 N/A GLY 502.A N ASP 100.A OD2 no hydrogen 2.787 N/A ASN 504.A N GLU 507.A OE1 no hydrogen 2.899 N/A GLU 507.A N ASN 504.A OD1 no hydrogen 2.736 N/A ILE 508.A N ASN 504.A O no hydrogen 3.014 N/A GLN 509.A N GLU 505.A O no hydrogen 2.941 N/A GLN 509.A NE2 GLU 505.A OE2 no hydrogen 2.916 N/A LYS 510.A N ASP 506.A O no hydrogen 3.048 N/A MET 511.A N GLU 507.A O no hydrogen 2.830 N/A VAL 512.A N ILE 508.A O no hydrogen 2.815 N/A ARG 513.A N GLN 509.A O no hydrogen 3.075 N/A ASP 514.A N LYS 510.A O no hydrogen 2.832 N/A ALA 515.A N MET 511.A O no hydrogen 2.898 N/A GLU 516.A N VAL 512.A O no hydrogen 3.177 N/A ALA 517.A N ARG 513.A O no hydrogen 2.946 N/A ASN 518.A N ASP 514.A O no hydrogen 2.889 N/A ASN 518.A ND2 GLU 118.A OE2 no hydrogen 3.386 N/A ALA 519.A N ALA 515.A O no hydrogen 3.076 N/A GLU 520.A N GLU 516.A O no hydrogen 2.983 N/A ALA 521.A N ALA 517.A O no hydrogen 2.763 N/A ASP 522.A N ASN 518.A O no hydrogen 2.813 N/A ARG 523.A N ALA 519.A O no hydrogen 2.997 N/A LYS 524.A N GLU 520.A O no hydrogen 2.978 N/A PHE 525.A N ALA 521.A O no hydrogen 2.886 N/A GLU 526.A N ASP 522.A O no hydrogen 3.063 N/A GLU 527.A N LYS 524.A O no hydrogen 2.736 N/A GLN 530.A N GLU 526.A O no hydrogen 2.955 N/A THR 531.A N GLU 527.A O no hydrogen 2.850 N/A THR 531.A OG1 GLU 527.A O no hydrogen 3.107 N/A ARG 532.A N LEU 528.A O no hydrogen 2.818 N/A ARG 532.A NH1 LEU 572.A O no hydrogen 2.621 N/A ARG 532.A NH2 GLY 574.A O no hydrogen 2.589 N/A ASN 533.A N VAL 529.A O no hydrogen 2.941 N/A ASN 533.A ND2 VAL 529.A O no hydrogen 2.915 N/A GLN 534.A N GLN 530.A O no hydrogen 3.068 N/A GLY 535.A N THR 531.A O no hydrogen 2.870 N/A ASP 536.A N ARG 532.A O no hydrogen 3.051 N/A HIS 537.A N ASN 533.A O no hydrogen 3.052 N/A LEU 538.A N GLN 534.A O no hydrogen 2.888 N/A LEU 539.A N GLY 535.A O no hydrogen 2.840 N/A HIS 540.A N ASP 536.A O no hydrogen 2.964 N/A SER 541.A N HIS 537.A O no hydrogen 3.081 N/A THR 542.A N LEU 538.A O no hydrogen 3.012 N/A THR 542.A OG1 LEU 538.A O no hydrogen 2.719 N/A THR 542.A OG1 LEU 539.A O no hydrogen 3.206 N/A ARG 543.A N LEU 539.A O no hydrogen 2.990 N/A ARG 543.A NH2 GLU 569.A OE2 no hydrogen 2.582 N/A LYS 544.A N HIS 540.A O no hydrogen 3.384 N/A GLN 545.A N SER 541.A O no hydrogen 3.029 N/A GLN 545.A NE2 SER 591.A O no hydrogen 3.024 N/A VAL 546.A N THR 542.A O no hydrogen 3.065 N/A GLU 547.A N ARG 543.A O no hydrogen 3.051 N/A GLU 548.A N LYS 544.A O no hydrogen 2.864 N/A ALA 549.A N GLN 545.A O no hydrogen 3.145 N/A ALA 549.A N VAL 546.A O no hydrogen 3.104 N/A GLY 550.A N VAL 546.A O no hydrogen 3.121 N/A LYS 552.A N ALA 549.A O no hydrogen 3.135 N/A LYS 558.A N PRO 554.A O no hydrogen 2.848 N/A LYS 558.A NZ GLU 562.A OE2 no hydrogen 2.963 N/A THR 559.A N ALA 555.A O no hydrogen 2.909 N/A THR 559.A OG1 ALA 555.A O no hydrogen 2.894 N/A ALA 560.A N ASP 556.A O no hydrogen 3.014 N/A ILE 561.A N ASP 557.A O no hydrogen 3.075 N/A GLU 562.A N LYS 558.A O no hydrogen 3.004 N/A SER 563.A N THR 559.A O no hydrogen 2.960 N/A SER 563.A OG THR 559.A O no hydrogen 3.035 N/A ALA 564.A N ALA 560.A O no hydrogen 3.014 N/A LEU 565.A N ILE 561.A O no hydrogen 2.844 N/A THR 566.A N GLU 562.A O no hydrogen 3.101 N/A THR 566.A OG1 GLU 562.A O no hydrogen 2.769 N/A ALA 567.A N SER 563.A O no hydrogen 2.893 N/A LEU 568.A N ALA 564.A O no hydrogen 3.139 N/A GLU 569.A N LEU 565.A O no hydrogen 3.043 N/A THR 570.A N THR 566.A O no hydrogen 2.848 N/A THR 570.A OG1 THR 566.A O no hydrogen 3.168 N/A ALA 571.A N ALA 567.A O no hydrogen 3.067 N/A LEU 572.A N LEU 568.A O no hydrogen 2.927 N/A LYS 573.A N GLU 569.A O no hydrogen 3.218 N/A LYS 573.A N THR 570.A O no hydrogen 3.032 N/A GLY 574.A N ALA 571.A O no hydrogen 2.833 N/A LYS 577.A NZ GLU 527.A OE1 no hydrogen 3.090 N/A ALA 579.A N ASP 576.A OD1 no hydrogen 2.859 N/A ILE 580.A N ASP 576.A O no hydrogen 3.077 N/A GLU 581.A N LYS 577.A O no hydrogen 2.923 N/A ALA 582.A N ALA 578.A O no hydrogen 2.833 N/A LYS 583.A N ALA 579.A O no hydrogen 2.901 N/A MET 584.A N ILE 580.A O no hydrogen 2.867 N/A GLN 585.A N GLU 581.A O no hydrogen 2.971 N/A GLN 585.A NE2 GLN 585.A O no hydrogen 2.922 N/A GLU 586.A N ALA 582.A O no hydrogen 2.986 N/A LEU 587.A N LYS 583.A O no hydrogen 3.003 N/A ALA 588.A N MET 584.A O no hydrogen 2.848 N/A GLN 589.A N GLN 585.A O no hydrogen 2.960 N/A VAL 590.A N GLU 586.A O no hydrogen 3.058 N/A SER 591.A N LEU 587.A O no hydrogen 2.841 N/A SER 591.A OG GLN 545.A OE1 no hydrogen 2.608 N/A GLN 592.A N ALA 588.A O no hydrogen 2.884 N/A GLN 592.A NE2 GLU 596.A OE2 no hydrogen 3.254 N/A LYS 593.A N GLN 589.A O no hydrogen 2.900 N/A LEU 594.A N VAL 590.A O no hydrogen 3.051 N/A MET 595.A N SER 591.A O no hydrogen 3.005 N/A GLU 596.A N GLN 592.A O no hydrogen 3.004 N/A ILE 597.A N LYS 593.A O no hydrogen 2.969 N/A ALA 598.A N LEU 594.A O no hydrogen 2.750 N/A GLN 599.A N MET 595.A O no hydrogen 3.013 N/A GLN 600.A N ILE 597.A O no hydrogen 2.792 N/A