Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5k8f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ASP 477.A OD2 no hydrogen 2.905 N/A VAL 4.A N ASP 477.A OD1 no hydrogen 2.919 N/A VAL 11.A N ASP 9.A OD1 no hydrogen 3.150 N/A GLU 15.A N PRO 12.A O no hydrogen 2.858 N/A ASP 16.A N GLU 13.A O no hydrogen 3.288 N/A PHE 18.A N THR 448.A O no hydrogen 2.957 N/A ARG 23.A NH1 LEU 396.A O no hydrogen 3.060 N/A MET 24.A N PRO 21.A O no hydrogen 2.712 N/A GLN 25.A N PRO 22.A O no hydrogen 2.970 N/A GLN 25.A NE2 PRO 20.A O no hydrogen 2.724 N/A LYS 27.A NZ GLN 25.A OE1 no hydrogen 3.293 N/A ARG 30.A N LYS 27.A O no hydrogen 2.887 N/A ARG 30.A NH1 SER 394.A O no hydrogen 3.036 N/A ARG 30.A NH2 SER 394.A O no hydrogen 2.734 N/A HIS 34.A N ASP 310.A OD1 no hydrogen 2.588 N/A HIS 34.A NE2 ALA 311.A O no hydrogen 2.894 N/A ASN 38.A N SER 41.A OG no hydrogen 3.397 N/A GLU 40.A N GLU 40.A OE1 no hydrogen 2.582 N/A SER 41.A N ASN 38.A OD1 no hydrogen 3.008 N/A SER 41.A OG ASN 38.A O no hydrogen 2.592 N/A TYR 42.A N ASN 38.A O no hydrogen 3.442 N/A TYR 42.A OH PRO 456.A O no hydrogen 2.547 N/A VAL 43.A N TYR 39.A O no hydrogen 3.044 N/A LYS 44.A N GLU 40.A O no hydrogen 2.783 N/A TRP 46.A N TYR 42.A O no hydrogen 2.940 N/A TRP 46.A NE1 MET 460.A O no hydrogen 3.128 N/A ALA 47.A N VAL 43.A O no hydrogen 2.872 N/A LYS 48.A N GLU 45.A O no hydrogen 2.949 N/A LYS 48.A NZ GLU 45.A OE1 no hydrogen 3.035 N/A THR 49.A N TRP 46.A O no hydrogen 2.861 N/A THR 49.A OG1 TRP 46.A O no hydrogen 2.761 N/A SER 54.A N GLY 51.A O no hydrogen 3.447 N/A SER 54.A OG GLY 51.A O no hydrogen 2.618 N/A TRP 57.A NE1 GLU 45.A OE2 no hydrogen 2.937 N/A TRP 58.A N SER 54.A O no hydrogen 3.195 N/A TRP 58.A NE1 THR 49.A O no hydrogen 3.025 N/A ALA 59.A N ASP 55.A O no hydrogen 2.828 N/A ALA 60.A N GLU 56.A O no hydrogen 3.124 N/A LYS 61.A N TRP 57.A O no hydrogen 2.852 N/A LYS 61.A NZ TYR 307.A OH no hydrogen 3.067 N/A ALA 62.A N TRP 58.A O no hydrogen 2.855 N/A ARG 63.A N ALA 59.A O no hydrogen 3.196 N/A ARG 63.A NE ASP 71.A OD1 no hydrogen 3.001 N/A ARG 63.A NH2 PHE 72.A O no hydrogen 3.270 N/A GLU 64.A N ALA 60.A O no hydrogen 2.904 N/A THR 65.A N LYS 61.A O no hydrogen 2.935 N/A THR 65.A OG1 LYS 61.A O no hydrogen 2.513 N/A LEU 66.A N ALA 62.A O no hydrogen 3.238 N/A ASP 67.A N ASN 98.A OD1 no hydrogen 2.718 N/A TRP 68.A NE1 ALA 62.A O no hydrogen 3.089 N/A TYR 69.A N THR 92.A O no hydrogen 2.719 N/A ASP 70.A N THR 92.A O no hydrogen 3.388 N/A LYS 73.A N GLU 90.A OE1 no hydrogen 2.899 N/A THR 74.A N GLU 90.A OE1 no hydrogen 2.750 N/A THR 74.A OG1 GLU 90.A OE2 no hydrogen 2.834 N/A ARG 76.A NE ASP 55.A OD1 no hydrogen 2.593 N/A ARG 76.A NH2 SER 54.A OG no hydrogen 2.776 N/A ARG 76.A NH2 ASP 55.A OD1 no hydrogen 2.822 N/A ALA 77.A N GLN 86.A O no hydrogen 3.034 N/A GLY 79.A N ASP 84.A OD1 no hydrogen 2.797 N/A GLY 83.A N PHE 80.A O no hydrogen 3.183 N/A ASP 84.A N GLY 79.A O no hydrogen 3.364 N/A GLN 86.A N ALA 77.A O no hydrogen 2.835 N/A GLN 86.A NE2 ASP 84.A O no hydrogen 3.257 N/A TRP 87.A N GLU 272.A OE2 no hydrogen 2.954 N/A PHE 88.A N VAL 75.A O no hydrogen 2.941 N/A GLU 90.A N GLU 90.A OE1 no hydrogen 2.898 N/A GLY 91.A N PHE 88.A O no hydrogen 3.007 N/A THR 92.A N ASP 70.A O no hydrogen 3.032 N/A THR 92.A OG1 ASP 70.A OD2 no hydrogen 2.493 N/A LEU 93.A N MET 269.A O no hydrogen 2.803 N/A ASN 94.A ND2 ALA 171.A O no hydrogen 3.132 N/A ASN 94.A ND2 ARG 172.A O no hydrogen 3.115 N/A ASN 94.A ND2 GLU 267.A O no hydrogen 2.590 N/A TYR 97.A N ASN 94.A OD1 no hydrogen 3.296 N/A ASN 98.A N ASN 94.A O no hydrogen 3.197 N/A ASN 98.A ND2 ASP 67.A O no hydrogen 3.205 N/A ASN 98.A ND2 ASN 94.A O no hydrogen 3.116 N/A CYS 99.A N ALA 95.A O no hydrogen 2.837 N/A CYS 99.A SG ALA 95.A O no hydrogen 3.406 N/A CYS 99.A SG TYR 334.A O no hydrogen 3.797 N/A ARG 102.A N TYR 97.A O no hydrogen 3.186 N/A ARG 102.A NE ASN 98.A O no hydrogen 2.959 N/A ARG 102.A NH1 THR 65.A O no hydrogen 3.100 N/A ARG 102.A NH1 ASP 67.A OD1 no hydrogen 3.109 N/A ARG 102.A NH2 THR 65.A O no hydrogen 3.004 N/A ARG 102.A NH2 ALA 338.A O no hydrogen 2.818 N/A HIS 103.A N LEU 100.A O no hydrogen 2.932 N/A HIS 103.A NE2 ALA 338.A O no hydrogen 2.923 N/A TYR 104.A N LEU 100.A O no hydrogen 2.818 N/A TYR 105.A N ASP 101.A O no hydrogen 2.774 N/A LYS 106.A N HIS 103.A O no hydrogen 3.162 N/A ASN 107.A N HIS 103.A O no hydrogen 2.920 N/A ASN 107.A ND2 ASN 107.A O no hydrogen 2.563 N/A LYS 109.A NZ GLU 129.A OE2 no hydrogen 2.906 N/A LYS 110.A N ASN 107.A O no hydrogen 3.308 N/A LYS 110.A NZ PRO 313.A O no hydrogen 3.002 N/A LYS 110.A NZ GLY 340.A O no hydrogen 2.767 N/A THR 111.A OG1 GLU 125.A OE2 no hydrogen 2.743 N/A ALA 112.A N VAL 126.A O no hydrogen 2.700 N/A ILE 113.A N VAL 126.A O no hydrogen 2.990 N/A ILE 114.A N THR 343.A O no hydrogen 2.699 N/A TYR 115.A N ARG 124.A O no hydrogen 2.919 N/A TYR 115.A OH GLU 347.A OE1 no hydrogen 2.682 N/A GLU 116.A N VAL 345.A O no hydrogen 3.030 N/A ALA 117.A N SER 123.A OG no hydrogen 3.148 N/A ASP 118.A N GLU 347.A OE1 no hydrogen 3.115 N/A GLU 122.A N GLU 119.A O no hydrogen 3.038 N/A SER 123.A N PRO 120.A O no hydrogen 3.170 N/A SER 123.A OG PRO 120.A O no hydrogen 2.874 N/A ARG 124.A N TYR 115.A O no hydrogen 3.103 N/A ARG 124.A NH1 GLU 130.A OE2 no hydrogen 2.715 N/A ARG 124.A NH2 GLU 130.A OE1 no hydrogen 3.123 N/A ARG 124.A NH2 GLU 130.A OE2 no hydrogen 3.355 N/A VAL 126.A N ILE 113.A O no hydrogen 2.736 N/A TYR 128.A N LYS 110.A O no hydrogen 2.891 N/A TYR 128.A OH ILE 341.A O no hydrogen 2.788 N/A GLU 129.A N PRO 108.A O no hydrogen 3.071 N/A GLU 130.A N SER 127.A OG no hydrogen 3.141 N/A LEU 131.A N SER 127.A O no hydrogen 2.981 N/A MET 132.A N TYR 128.A O no hydrogen 2.883 N/A GLN 133.A N GLU 129.A O no hydrogen 2.944 N/A GLN 133.A NE2 GLU 129.A OE1 no hydrogen 3.131 N/A GLU 134.A N GLU 130.A O no hydrogen 3.047 N/A THR 135.A N LEU 131.A O no hydrogen 3.048 N/A THR 135.A OG1 LEU 131.A O no hydrogen 2.551 N/A CYS 136.A N MET 132.A O no hydrogen 2.904 N/A CYS 136.A SG MET 132.A O no hydrogen 3.328 N/A ARG 137.A N GLN 133.A O no hydrogen 2.939 N/A ARG 137.A NH1 GLU 134.A OE1 no hydrogen 3.029 N/A VAL 138.A N GLU 134.A O no hydrogen 3.029 N/A ALA 139.A N THR 135.A O no hydrogen 2.938 N/A ASN 140.A N CYS 136.A O no hydrogen 2.967 N/A ASN 140.A ND2 PRO 261.A O no hydrogen 2.887 N/A ASN 140.A ND2 TYR 263.A O no hydrogen 3.220 N/A VAL 141.A N ARG 137.A O no hydrogen 2.958 N/A LEU 142.A N VAL 138.A O no hydrogen 2.937 N/A LYS 143.A N ALA 139.A O no hydrogen 3.020 N/A SER 144.A N ASN 140.A O no hydrogen 3.109 N/A SER 144.A OG VAL 141.A O no hydrogen 2.690 N/A TYR 145.A N VAL 141.A O no hydrogen 3.138 N/A TYR 145.A N LEU 142.A O no hydrogen 2.892 N/A TYR 145.A OH GLU 256.A OE1 no hydrogen 2.646 N/A GLY 146.A N LYS 143.A O no hydrogen 2.985 N/A VAL 147.A N LEU 142.A O no hydrogen 3.234 N/A LYS 148.A N ASP 151.A OD2 no hydrogen 2.696 N/A LYS 149.A NZ ASP 273.A OD2 no hydrogen 2.973 N/A GLY 150.A N GLY 174.A O no hydrogen 2.882 N/A ASP 151.A N LYS 148.A O no hydrogen 3.079 N/A VAL 153.A N ILE 176.A O no hydrogen 2.693 N/A SER 154.A N VAL 200.A O no hydrogen 3.161 N/A ILE 155.A N SER 178.A O no hydrogen 3.047 N/A TYR 156.A N ILE 202.A O no hydrogen 2.767 N/A TYR 156.A OH PHE 184.A O no hydrogen 2.660 N/A THR 160.A N PRO 158.A O no hydrogen 2.808 N/A THR 160.A OG1 GLN 162.A OE1 no hydrogen 3.028 N/A GLN 162.A N GLN 162.A OE1 no hydrogen 3.047 N/A ALA 163.A N THR 160.A O no hydrogen 2.960 N/A ALA 164.A N TRP 161.A O no hydrogen 3.114 N/A ALA 166.A N GLN 162.A O no hydrogen 2.944 N/A PHE 167.A N ALA 163.A O no hydrogen 3.024 N/A LEU 168.A N ALA 164.A O no hydrogen 2.939 N/A ALA 169.A N ALA 165.A O no hydrogen 2.893 N/A CYS 170.A N ALA 166.A O no hydrogen 3.302 N/A CYS 170.A SG ALA 166.A O no hydrogen 3.392 N/A ALA 171.A N PHE 167.A O no hydrogen 3.160 N/A ARG 172.A N LEU 168.A O no hydrogen 2.750 N/A ARG 172.A NE CYS 264.A O no hydrogen 2.604 N/A ARG 172.A NH1 ASP 101.A OD1 no hydrogen 2.996 N/A ARG 172.A NH1 ASP 101.A OD2 no hydrogen 3.246 N/A ARG 172.A NH2 ASP 101.A OD2 no hydrogen 2.719 N/A ARG 172.A NH2 CYS 264.A O no hydrogen 2.676 N/A ILE 173.A N ALA 169.A O no hydrogen 3.315 N/A ILE 173.A N CYS 170.A O no hydrogen 3.239 N/A GLY 174.A N ALA 171.A O no hydrogen 3.364 N/A ALA 175.A N CYS 170.A O no hydrogen 2.807 N/A ILE 176.A N ASP 151.A O no hydrogen 2.611 N/A HIS 177.A NE2 TYR 334.A OH no hydrogen 3.039 N/A SER 178.A N VAL 153.A O no hydrogen 2.869 N/A VAL 180.A N ILE 155.A O no hydrogen 2.815 N/A GLY 183.A N TYR 156.A OH no hydrogen 3.208 N/A PHE 184.A N PHE 181.A O no hydrogen 3.245 N/A SER 185.A OG SER 188.A OG no hydrogen 3.121 N/A SER 188.A N SER 185.A OG no hydrogen 3.008 N/A SER 188.A OG SER 185.A OG no hydrogen 3.121 N/A LEU 189.A N SER 185.A O no hydrogen 2.795 N/A ARG 190.A N ALA 186.A O no hydrogen 2.860 N/A ARG 190.A NE ASP 191.A OD1 no hydrogen 3.139 N/A ARG 190.A NH1 GLN 226.A OE1 no hydrogen 2.809 N/A ARG 190.A NH2 ASP 191.A OD1 no hydrogen 3.506 N/A ASP 191.A N GLU 187.A O no hydrogen 3.077 N/A ARG 192.A N SER 188.A O no hydrogen 3.344 N/A ARG 192.A NH1 SER 188.A O no hydrogen 3.275 N/A ARG 192.A NH2 THR 280.A O.B no hydrogen 3.526 N/A VAL 193.A N LEU 189.A O no hydrogen 2.886 N/A ASN 194.A N ARG 190.A O no hydrogen 2.798 N/A ASN 194.A ND2 GLN 226.A O no hydrogen 2.910 N/A ASP 195.A N ASP 191.A O no hydrogen 3.041 N/A CYS 196.A N ARG 192.A O no hydrogen 3.311 N/A CYS 196.A SG SER 154.A OG no hydrogen 3.515 N/A CYS 196.A SG ARG 192.A O no hydrogen 3.484 N/A CYS 196.A SG VAL 193.A O no hydrogen 3.622 N/A CYS 198.A SG SER 154.A OG no hydrogen 2.964 N/A CYS 198.A SG VAL 193.A O no hydrogen 3.856 N/A CYS 198.A SG VAL 200.A O no hydrogen 3.702 N/A LEU 201.A N ASN 232.A O no hydrogen 2.956 N/A ILE 202.A N SER 154.A O no hydrogen 3.005 N/A THR 203.A N LEU 234.A O no hydrogen 2.905 N/A THR 203.A OG1 TYR 156.A O no hydrogen 2.830 N/A THR 203.A OG1 THR 204.A O no hydrogen 3.342 N/A THR 204.A OG1 THR 216.A OG1 no hydrogen 2.927 N/A ASP 205.A N LEU 236.A O no hydrogen 2.953 N/A GLU 206.A N ASP 205.A OD1 no hydrogen 2.542 N/A GLY 207.A N ILE 214.A O no hydrogen 2.773 N/A ARG 208.A NH1 THR 213.A OG1 no hydrogen 2.592 N/A ARG 209.A N LYS 212.A O no hydrogen 2.960 N/A ARG 209.A NH2 ALA 182.A O no hydrogen 3.143 N/A ARG 209.A NH2 ASP 322.A OD2 no hydrogen 3.568 N/A GLY 210.A N ASP 118.A OD1 no hydrogen 2.691 N/A GLY 211.A N ASP 118.A OD2 no hydrogen 2.886 N/A LYS 212.A N ARG 209.A O no hydrogen 3.153 N/A ILE 214.A N GLY 207.A O no hydrogen 2.794 N/A THR 216.A N ILE 214.A O no hydrogen 2.898 N/A THR 216.A OG1 THR 204.A O no hydrogen 2.676 N/A THR 216.A OG1 THR 204.A OG1 no hydrogen 2.927 N/A LYS 217.A N ASP 205.A O no hydrogen 3.051 N/A LYS 217.A NZ ASP 221.A OD1 no hydrogen 2.456 N/A LYS 217.A NZ ASP 221.A OD2 no hydrogen 3.337 N/A LYS 217.A NZ PRO 244.A O no hydrogen 2.779 N/A LYS 217.A NZ ASP 250.A OD2 no hydrogen 2.968 N/A ILE 219.A N ALA 215.A O no hydrogen 2.949 N/A VAL 220.A N THR 216.A O no hydrogen 2.858 N/A ASP 221.A N LYS 217.A O no hydrogen 2.996 N/A ALA 222.A N GLN 218.A O no hydrogen 3.281 N/A ALA 223.A N ILE 219.A O no hydrogen 3.038 N/A LEU 224.A N VAL 220.A O no hydrogen 2.822 N/A GLN 226.A N ALA 223.A O no hydrogen 2.988 N/A CYS 227.A N LEU 224.A O no hydrogen 3.035 N/A CYS 227.A SG ARG 190.A O no hydrogen 3.882 N/A CYS 227.A SG ASN 194.A OD1 no hydrogen 3.246 N/A CYS 227.A SG ALA 223.A O no hydrogen 3.357 N/A GLU 231.A N LYS 199.A O no hydrogen 2.940 N/A ASN 232.A N LYS 199.A O no hydrogen 3.320 N/A VAL 233.A N ARG 249.A O no hydrogen 2.867 N/A LEU 234.A N LEU 201.A O no hydrogen 2.867 N/A VAL 235.A N LYS 251.A O no hydrogen 2.913 N/A LEU 236.A N THR 203.A O no hydrogen 2.775 N/A ARG 237.A NE ASP 254.A OD2 no hydrogen 2.992 N/A ARG 237.A NH2 ASP 254.A OD1 no hydrogen 3.171 N/A ARG 237.A NH2 ASP 254.A OD2 no hydrogen 3.133 N/A ARG 237.A NH2 GLU 255.A OE1 no hydrogen 3.441 N/A ARG 238.A N ASP 205.A OD1 no hydrogen 2.989 N/A ARG 238.A N LEU 236.A O no hydrogen 3.030 N/A ARG 238.A NE GLU 347.A OE2 no hydrogen 2.828 N/A ARG 238.A NH1 ARG 238.A O no hydrogen 2.890 N/A ARG 238.A NH2 GLU 347.A OE1 no hydrogen 2.920 N/A ARG 238.A NH2 GLU 347.A OE2 no hydrogen 2.944 N/A THR 239.A N ASP 205.A OD1 no hydrogen 3.343 N/A THR 239.A OG1 GLU 206.A OE2 no hydrogen 2.863 N/A GLY 240.A N ASP 205.A OD2 no hydrogen 3.146 N/A ASN 241.A ND2 GLU 206.A OE2 no hydrogen 2.896 N/A THR 246.A N ASP 250.A OD2 no hydrogen 2.720 N/A ARG 249.A NE ASP 250.A OD1 no hydrogen 2.736 N/A ARG 249.A NH2 ASP 221.A OD1 no hydrogen 3.160 N/A ARG 249.A NH2 ASP 250.A OD1 no hydrogen 3.382 N/A ARG 249.A NH2 ASP 250.A OD2 no hydrogen 3.056 N/A ASP 250.A N THR 246.A O no hydrogen 2.826 N/A LYS 251.A N VAL 233.A O no hydrogen 3.037 N/A TRP 253.A N VAL 235.A O no hydrogen 2.604 N/A GLU 256.A N TRP 252.A O no hydrogen 2.952 N/A CYS 257.A N TRP 253.A O no hydrogen 2.983 N/A CYS 257.A SG TRP 253.A O no hydrogen 3.321 N/A ALA 258.A N ASP 254.A O no hydrogen 3.231 N/A LYS 259.A N GLU 256.A O no hydrogen 3.007 N/A LYS 259.A NZ GLU 256.A OE2 no hydrogen 3.102 N/A MET 260.A N CYS 257.A O no hydrogen 2.888 N/A CYS 264.A SG ASN 140.A OD1 no hydrogen 3.469 N/A CYS 264.A SG PRO 265.A O no hydrogen 3.399 N/A CYS 266.A SG ASN 94.A OD1 no hydrogen 3.815 N/A CYS 266.A SG ASP 101.A OD2 no hydrogen 3.861 N/A GLU 267.A N ARG 172.A O no hydrogen 2.863 N/A MET 269.A N LEU 93.A O no hydrogen 2.816 N/A ALA 270.A N ASP 273.A OD2 no hydrogen 2.808 N/A SER 271.A N GLY 91.A O no hydrogen 3.081 N/A SER 271.A OG.A PHE 88.A O no hydrogen 2.727 N/A SER 271.A OG.A GLY 91.A O no hydrogen 3.377 N/A SER 271.A OG.B TRP 87.A O no hydrogen 2.525 N/A ASP 273.A N ALA 270.A O no hydrogen 2.998 N/A LEU 275.A N HIS 292.A O no hydrogen 2.663 N/A PHE 276.A N HIS 292.A O no hydrogen 3.473 N/A ILE 277.A N HIS 177.A O no hydrogen 2.936 N/A LEU 278.A N VAL 290.A O.A no hydrogen 2.902 N/A LEU 278.A N VAL 290.A O.B no hydrogen 2.874 N/A TYR 279.A OH ASP 195.A OD2 no hydrogen 2.261 N/A THR 280.A N.A LYS 288.A O.A no hydrogen 3.041 N/A THR 280.A N.A LYS 288.A O.B no hydrogen 2.972 N/A THR 280.A N.B LYS 288.A O.A no hydrogen 3.047 N/A THR 280.A N.B LYS 288.A O.B no hydrogen 2.977 N/A THR 280.A OG1.B LYS 288.A O.A no hydrogen 3.545 N/A THR 280.A OG1.B LYS 288.A O.B no hydrogen 3.377 N/A LYS 288.A N.B THR 280.A OG1.A no hydrogen 2.912 N/A LYS 288.A N.B THR 280.A OG1.B no hydrogen 2.839 N/A VAL 290.A N.A LEU 278.A O no hydrogen 2.865 N/A VAL 290.A N.B LEU 278.A O no hydrogen 2.873 N/A VAL 291.A N THR 494.A O no hydrogen 3.053 N/A HIS 292.A N PHE 276.A O no hydrogen 3.255 N/A HIS 292.A NE2 THR 432.A O no hydrogen 2.867 N/A SER 293.A OG GLU 272.A OE1 no hydrogen 3.105 N/A THR 294.A N SER 271.A O no hydrogen 3.138 N/A THR 294.A OG1 ASP 273.A O no hydrogen 2.871 N/A ALA 295.A N SER 271.A O no hydrogen 3.177 N/A TYR 297.A OH SER 330.A OG no hydrogen 2.670 N/A LEU 298.A N THR 294.A O no hydrogen 3.006 N/A LEU 299.A N ALA 295.A O no hydrogen 2.872 N/A GLY 300.A N GLY 296.A O no hydrogen 2.869 N/A THR 301.A N TYR 297.A O no hydrogen 2.931 N/A THR 301.A OG1 TYR 297.A O no hydrogen 3.468 N/A THR 301.A OG1 LEU 298.A O no hydrogen 3.011 N/A ALA 302.A N LEU 298.A O no hydrogen 2.902 N/A LEU 303.A N LEU 299.A O no hydrogen 2.908 N/A THR 304.A N GLY 300.A O no hydrogen 2.973 N/A THR 304.A OG1 GLY 300.A O no hydrogen 2.603 N/A THR 304.A OG1 THR 301.A O no hydrogen 3.154 N/A THR 304.A OG1 TYR 331.A OH no hydrogen 2.650 N/A LEU 305.A N THR 301.A O no hydrogen 3.159 N/A LYS 306.A N ALA 302.A O no hydrogen 3.073 N/A TYR 307.A N LEU 303.A O no hydrogen 2.816 N/A VAL 308.A N THR 304.A O no hydrogen 2.688 N/A PHE 309.A N LEU 305.A O no hydrogen 3.408 N/A ASP 310.A N TYR 307.A O no hydrogen 3.450 N/A ALA 311.A N LYS 306.A O no hydrogen 3.117 N/A HIS 312.A N ASP 315.A OD2 no hydrogen 2.566 N/A HIS 312.A NE2 ASP 310.A OD2 no hydrogen 3.091 N/A ASP 315.A N HIS 312.A O no hydrogen 2.908 N/A ARG 316.A N THR 368.A OG1 no hydrogen 2.970 N/A ARG 316.A NE.A TRP 365.A O no hydrogen 3.058 N/A ARG 316.A NE.B TRP 365.A O no hydrogen 2.996 N/A ARG 316.A NH1.A GLU 125.A OE2 no hydrogen 2.876 N/A ARG 316.A NH2.A TRP 365.A O no hydrogen 3.257 N/A PHE 317.A N THR 342.A O no hydrogen 2.923 N/A ALA 318.A N GLN 369.A O no hydrogen 2.985 N/A MET 320.A N TYR 371.A O no hydrogen 2.889 N/A GLY 324.A N ASP 322.A OD1 no hydrogen 2.772 N/A TRP 325.A N ASP 322.A O no hydrogen 2.992 N/A GLY 328.A N TRP 325.A O no hydrogen 2.931 N/A HIS 329.A N TRP 325.A O no hydrogen 3.165 N/A HIS 329.A ND1 TRP 325.A O no hydrogen 3.229 N/A SER 330.A N ILE 326.A O no hydrogen 3.011 N/A SER 330.A OG TYR 297.A OH no hydrogen 2.670 N/A SER 330.A OG ILE 326.A O no hydrogen 3.470 N/A SER 330.A OG GLY 435.A O no hydrogen 2.810 N/A TYR 331.A N THR 327.A O no hydrogen 2.946 N/A TYR 331.A OH THR 304.A OG1 no hydrogen 2.650 N/A ILE 332.A N GLY 328.A O no hydrogen 3.023 N/A ILE 333.A N GLY 328.A O no hydrogen 3.137 N/A TYR 334.A N HIS 329.A O no hydrogen 2.916 N/A TYR 334.A OH HIS 177.A NE2 no hydrogen 3.039 N/A GLY 335.A N SER 330.A O no hydrogen 2.822 N/A LEU 337.A N ILE 333.A O no hydrogen 3.056 N/A ALA 338.A N TYR 334.A O no hydrogen 2.914 N/A ASN 339.A N GLY 335.A O no hydrogen 3.304 N/A ASN 339.A ND2 ALA 302.A O no hydrogen 3.050 N/A ASN 339.A ND2 GLY 335.A O no hydrogen 2.880 N/A GLY 340.A N LEU 337.A O no hydrogen 2.855 N/A ILE 341.A N PRO 336.A O no hydrogen 3.240 N/A THR 342.A OG1 THR 111.A O no hydrogen 2.797 N/A THR 343.A N ALA 112.A O no hydrogen 2.937 N/A THR 343.A OG1 ILE 332.A O no hydrogen 2.758 N/A VAL 345.A N ILE 114.A O no hydrogen 2.996 N/A GLU 347.A N GLU 116.A O no hydrogen 2.953 N/A SER 348.A OG ASP 118.A OD1 no hydrogen 2.972 N/A SER 348.A OG TYR 352.A O no hydrogen 3.352 N/A VAL 351.A N THR 349.A OG1 no hydrogen 3.351 N/A TYR 352.A OH GLU 119.A OE1 no hydrogen 2.435 N/A SER 356.A N THR 354.A OG1 no hydrogen 3.347 N/A SER 356.A OG THR 354.A OG1 no hydrogen 2.756 N/A SER 356.A OG ASP 360.A OD2 no hydrogen 2.817 N/A ARG 357.A N THR 354.A O no hydrogen 3.094 N/A ARG 357.A NH1 ASP 118.A O no hydrogen 2.993 N/A ARG 357.A NH1 TYR 352.A O no hydrogen 2.956 N/A ARG 357.A NH2 GLU 116.A OE2 no hydrogen 2.696 N/A ARG 357.A NH2 ALA 117.A O no hydrogen 2.579 N/A TYR 358.A OH THR 372.A OG1 no hydrogen 2.866 N/A TRP 359.A N SER 356.A O no hydrogen 3.112 N/A ASP 360.A N SER 356.A O no hydrogen 2.824 N/A PHE 361.A N ARG 357.A O no hydrogen 2.893 N/A VAL 362.A N TYR 358.A O no hydrogen 2.990 N/A ASP 363.A N TRP 359.A O no hydrogen 3.139 N/A LYS 364.A N ASP 360.A O no hydrogen 3.079 N/A LYS 364.A NZ GLU 116.A OE1 no hydrogen 2.696 N/A LYS 364.A NZ GLU 116.A OE2 no hydrogen 2.873 N/A TRP 365.A N PHE 361.A O no hydrogen 3.246 N/A TRP 365.A NE1 GLU 116.A OE1 no hydrogen 2.883 N/A ALA 367.A N VAL 362.A O no hydrogen 3.206 N/A THR 368.A N ARG 316.A O no hydrogen 3.013 N/A THR 368.A OG1 ARG 316.A O no hydrogen 3.075 N/A THR 368.A OG1 GLN 369.A OE1 no hydrogen 2.698 N/A GLN 369.A NE2 PHE 309.A O no hydrogen 3.122 N/A GLN 369.A NE2 ASP 310.A O no hydrogen 3.634 N/A GLN 369.A NE2 ASP 315.A OD2 no hydrogen 3.176 N/A LEU 370.A N VAL 398.A O no hydrogen 3.052 N/A TYR 371.A N ALA 318.A O no hydrogen 2.897 N/A TYR 371.A OH THR 428.A OG1 no hydrogen 2.492 N/A THR 372.A N GLY 400.A O no hydrogen 3.381 N/A THR 372.A OG1 TYR 358.A OH no hydrogen 2.866 N/A ALA 373.A N THR 372.A OG1 no hydrogen 2.614 N/A ALA 376.A N ALA 373.A O no hydrogen 3.000 N/A ILE 377.A N ALA 373.A O no hydrogen 3.141 N/A ARG 378.A N PRO 374.A O no hydrogen 2.768 N/A ARG 378.A NE GLU 562.A OE1 no hydrogen 2.950 N/A ARG 378.A NH1 GLU 404.A OE1 no hydrogen 3.539 N/A ARG 378.A NH1 GLU 562.A OE1 no hydrogen 3.011 N/A ARG 378.A NH2 ASN 407.A OD1 no hydrogen 3.218 N/A LEU 379.A N THR 375.A O no hydrogen 3.047 N/A LEU 380.A N ALA 376.A O no hydrogen 3.011 N/A ARG 381.A N ILE 377.A O no hydrogen 3.067 N/A ARG 381.A NH1 VAL 560.A O no hydrogen 3.557 N/A ARG 381.A NH2 GLU 409.A OE1 no hydrogen 3.133 N/A ARG 382.A N LEU 379.A O no hydrogen 3.134 N/A MET 383.A N LEU 380.A O no hydrogen 3.080 N/A VAL 388.A N GLU 385.A O no hydrogen 3.300 N/A LYS 389.A N GLU 385.A O no hydrogen 2.954 N/A HIS 391.A NE2 ASP 360.A OD1 no hydrogen 2.740 N/A ASP 392.A N ASP 363.A OD2 no hydrogen 2.910 N/A LEU 393.A N ASP 363.A OD1 no hydrogen 2.724 N/A SER 394.A N ASP 392.A OD1 no hydrogen 3.185 N/A SER 394.A OG ASP 392.A OD1 no hydrogen 2.451 N/A SER 395.A OG ALA 367.A O no hydrogen 2.456 N/A LEU 396.A N LEU 393.A O no hydrogen 3.142 N/A ARG 397.A N THR 368.A O no hydrogen 2.956 N/A ARG 397.A NH1 ASP 315.A OD1 no hydrogen 3.056 N/A ARG 397.A NH2 ASP 310.A O no hydrogen 2.846 N/A ARG 397.A NH2 ASP 315.A OD2 no hydrogen 3.142 N/A LEU 399.A N ALA 424.A O no hydrogen 2.915 N/A GLY 400.A N LEU 370.A O no hydrogen 2.614 N/A SER 401.A N VAL 426.A O no hydrogen 2.980 N/A VAL 402.A N THR 372.A O no hydrogen 3.089 N/A ASN 407.A ND2 SER 552.A OG no hydrogen 2.923 N/A TRP 411.A N ASN 407.A O no hydrogen 2.659 N/A HIS 412.A N PRO 408.A O no hydrogen 2.770 N/A HIS 412.A NE2 ASP 9.A OD2 no hydrogen 2.590 N/A TRP 413.A N GLU 409.A O no hydrogen 3.227 N/A TYR 414.A N ALA 410.A O no hydrogen 3.060 N/A TYR 414.A OH GLY 400.A O no hydrogen 2.840 N/A ASN 415.A N TRP 411.A O no hydrogen 2.856 N/A ASP 416.A N HIS 412.A O no hydrogen 2.750 N/A ASP 416.A N TRP 413.A O no hydrogen 3.271 N/A PHE 417.A N TRP 413.A O no hydrogen 3.061 N/A GLY 419.A N TYR 414.A O no hydrogen 3.260 N/A LYS 420.A NZ HIS 391.A O no hydrogen 2.535 N/A LYS 420.A NZ ASP 392.A O no hydrogen 3.500 N/A ASN 421.A N ASN 415.A O no hydrogen 3.022 N/A ASN 421.A ND2 ASP 416.A OD1 no hydrogen 2.943 N/A GLN 422.A N GLY 419.A O no hydrogen 2.970 N/A GLN 422.A NE2 LYS 420.A O no hydrogen 3.217 N/A CYS 423.A SG GLY 419.A O no hydrogen 3.928 N/A ALA 424.A N ARG 397.A O no hydrogen 3.158 N/A VAL 426.A N LEU 399.A O no hydrogen 2.809 N/A THR 428.A N SER 401.A O no hydrogen 2.930 N/A THR 428.A OG1 TYR 371.A OH no hydrogen 2.492 N/A THR 428.A OG1 SER 401.A O no hydrogen 3.095 N/A TYR 429.A N ILE 439.A O no hydrogen 2.824 N/A TYR 429.A OH ASP 518.A OD2 no hydrogen 2.529 N/A MET 431.A N THR 434.A OG1 no hydrogen 3.256 N/A GLU 433.A N GLU 433.A OE1 no hydrogen 2.554 N/A THR 434.A N MET 431.A O no hydrogen 3.052 N/A THR 434.A OG1 MET 431.A O no hydrogen 2.917 N/A THR 434.A OG1 SER 436.A O no hydrogen 2.784 N/A THR 434.A OG1 SER 438.A OG no hydrogen 3.415 N/A SER 436.A OG SER 490.A OG no hydrogen 2.598 N/A ILE 437.A N TYR 331.A OH no hydrogen 2.801 N/A SER 438.A N TYR 429.A O no hydrogen 2.918 N/A ILE 439.A N TYR 429.A O no hydrogen 3.035 N/A ALA 440.A N PHE 455.A O no hydrogen 3.208 N/A ALA 445.A N LEU 442.A O no hydrogen 2.810 N/A ILE 446.A N LEU 442.A O no hydrogen 2.996 N/A THR 448.A N PHE 18.A O no hydrogen 2.839 N/A THR 448.A OG1 PHE 18.A O no hydrogen 3.400 N/A LYS 449.A NZ ASP 523.A OD2 no hydrogen 2.966 N/A LYS 449.A NZ ASP 525.A OD2 no hydrogen 3.033 N/A SER 452.A N LYS 449.A O no hydrogen 3.094 N/A SER 452.A OG MET 528.A O no hydrogen 2.739 N/A THR 454.A N SER 452.A OG no hydrogen 3.122 N/A THR 454.A OG1 ALA 453.A O no hydrogen 2.340 N/A PHE 455.A N THR 454.A OG1 no hydrogen 2.553 N/A PHE 457.A N SER 438.A O no hydrogen 2.791 N/A GLY 459.A N THR 49.A OG1 no hydrogen 2.778 N/A MET 460.A N PHE 457.A O no hydrogen 2.885 N/A ASP 463.A N VAL 483.A O no hydrogen 2.792 N/A ILE 465.A N VAL 481.A O no hydrogen 3.052 N/A ASP 466.A N GLN 471.A O no hydrogen 2.848 N/A GLN 468.A N ASP 466.A OD1 no hydrogen 2.836 N/A THR 469.A N ASP 466.A O no hydrogen 3.146 N/A GLY 470.A N ASP 466.A O no hydrogen 2.682 N/A GLN 471.A N THR 469.A OG1 no hydrogen 2.959 N/A LEU 473.A N ILE 464.A O no hydrogen 2.607 N/A ASN 476.A ND2 TYR 524.A O no hydrogen 3.235 N/A ASP 477.A N ASP 523.A O no hydrogen 3.356 N/A VAL 478.A N ARG 522.A O no hydrogen 3.127 N/A GLY 480.A N ALA 520.A O no hydrogen 2.830 N/A VAL 481.A N ILE 465.A O no hydrogen 3.032 N/A LEU 482.A N ASP 518.A O no hydrogen 3.299 N/A VAL 483.A N ASP 463.A O no hydrogen 3.004 N/A ALA 484.A N PHE 514.A O no hydrogen 3.021 N/A ARG 485.A N ASP 461.A O no hydrogen 2.981 N/A ARG 485.A NH1 ASP 463.A OD2 no hydrogen 2.442 N/A TRP 488.A NE1 THR 434.A O no hydrogen 3.015 N/A SER 490.A OG THR 434.A O no hydrogen 2.777 N/A SER 490.A OG SER 436.A OG no hydrogen 2.598 N/A ILE 491.A N TRP 488.A O no hydrogen 3.209 N/A ALA 492.A N GLU 433.A O no hydrogen 2.767 N/A ARG 493.A N VAL 291.A O no hydrogen 3.003 N/A ARG 493.A NE GLU 272.A OE1 no hydrogen 2.863 N/A ARG 493.A NE GLU 272.A OE2 no hydrogen 3.373 N/A ARG 493.A NH1 PRO 489.A O no hydrogen 2.789 N/A ARG 493.A NH1 ILE 491.A O no hydrogen 2.615 N/A ARG 493.A NH2 GLU 272.A OE2 no hydrogen 2.867 N/A ARG 493.A NH2 PRO 489.A O no hydrogen 3.107 N/A THR 494.A OG1 VAL 495.A O no hydrogen 3.428 N/A THR 494.A OG1 HIS 499.A ND1 no hydrogen 2.631 N/A TYR 496.A N GLY 289.A O.A no hydrogen 2.691 N/A TYR 496.A N GLY 289.A O.B no hydrogen 2.699 N/A ASP 498.A N VAL 495.A O no hydrogen 2.715 N/A HIS 499.A ND1 THR 494.A OG1 no hydrogen 2.631 N/A HIS 499.A NE2 HIS 82.A O no hydrogen 3.055 N/A ARG 501.A NH1 LYS 286.A O.A no hydrogen 2.766 N/A ARG 501.A NH1 PRO 287.A O.B no hydrogen 3.343 N/A ARG 501.A NH2 LYS 286.A O.B no hydrogen 2.447 N/A TYR 502.A N ASP 498.A O no hydrogen 3.357 N/A TYR 502.A OH ALA 492.A O no hydrogen 2.544 N/A LEU 503.A N HIS 499.A O no hydrogen 3.011 N/A GLU 504.A N LYS 500.A O no hydrogen 2.825 N/A THR 505.A N ARG 501.A O no hydrogen 3.051 N/A THR 505.A OG1 ARG 501.A O no hydrogen 2.687 N/A TYR 506.A N TYR 502.A O no hydrogen 3.257 N/A TYR 506.A OH GLU 433.A OE2 no hydrogen 2.447 N/A MET 507.A N LEU 503.A O no hydrogen 2.832 N/A LYS 508.A N LEU 503.A O no hydrogen 2.818 N/A TYR 513.A N TYR 510.A O no hydrogen 2.974 N/A PHE 514.A N ALA 484.A O no hydrogen 2.881 N/A PHE 515.A N TYR 506.A O no hydrogen 2.936 N/A GLY 519.A N GLY 532.A O no hydrogen 2.699 N/A ALA 520.A N GLY 480.A O no hydrogen 2.919 N/A ALA 521.A N TRP 529.A O no hydrogen 2.844 N/A ARG 522.A N VAL 478.A O no hydrogen 2.843 N/A ARG 522.A NE GLY 475.A O no hydrogen 2.822 N/A ARG 522.A NH1 GLY 475.A O no hydrogen 2.942 N/A ASP 523.A N TYR 527.A O no hydrogen 2.911 N/A GLY 526.A N ASP 523.A O no hydrogen 3.033 N/A TYR 527.A N ASP 523.A OD1 no hydrogen 2.826 N/A TYR 527.A OH SER 447.A O no hydrogen 2.664 N/A MET 528.A N THR 454.A O no hydrogen 2.986 N/A TRP 529.A N ALA 521.A O no hydrogen 2.642 N/A TRP 529.A NE1 ASP 523.A OD2 no hydrogen 2.998 N/A LYS 531.A N GLY 519.A O no hydrogen 2.868 N/A VAL 534.A N GLY 517.A O no hydrogen 2.921 N/A ASP 536.A N ARG 533.A O no hydrogen 3.075 N/A VAL 537.A N VAL 534.A O no hydrogen 3.222 N/A ILE 538.A N LEU 545.A O no hydrogen 3.004 N/A ASN 539.A N GLN 575.A OE1 no hydrogen 2.810 N/A VAL 540.A N HIS 543.A O no hydrogen 2.846 N/A SER 541.A N THR 573.A O no hydrogen 2.567 N/A HIS 543.A N VAL 540.A O no hydrogen 3.122 N/A ARG 544.A NH2 GLU 479.A OE1 no hydrogen 3.411 N/A LEU 545.A N ILE 538.A O no hydrogen 2.670 N/A SER 546.A N GLU 549.A OE1 no hydrogen 3.048 N/A SER 546.A OG LYS 531.A O no hydrogen 3.189 N/A SER 546.A OG GLU 549.A OE1 no hydrogen 3.278 N/A ALA 548.A N LYS 531.A O no hydrogen 3.216 N/A GLU 549.A N SER 546.A OG no hydrogen 3.334 N/A GLU 551.A N THR 547.A O no hydrogen 3.146 N/A SER 552.A N ALA 548.A O no hydrogen 3.263 N/A SER 552.A OG ALA 548.A O no hydrogen 2.574 N/A ALA 553.A N GLU 549.A O no hydrogen 2.846 N/A LEU 554.A N VAL 550.A O no hydrogen 2.658 N/A ILE 555.A N GLU 551.A O no hydrogen 3.003 N/A LEU 556.A N ALA 553.A O no hydrogen 3.073 N/A HIS 557.A N LEU 554.A O no hydrogen 3.170 N/A HIS 557.A NE2 GLU 600.A OE1 no hydrogen 2.809 N/A VAL 560.A N HIS 557.A O no hydrogen 3.252 N/A ALA 561.A N THR 582.A O no hydrogen 2.703 N/A GLU 562.A N THR 582.A O no hydrogen 3.227 N/A THR 563.A OG1 GLU 551.A O no hydrogen 3.409 N/A ALA 564.A N PHE 580.A O no hydrogen 2.998 N/A VAL 565.A N GLU 551.A OE2 no hydrogen 3.395 N/A VAL 566.A N TYR 578.A O no hydrogen 3.064 N/A CYS 568.A N ALA 576.A O no hydrogen 3.180 N/A CYS 568.A SG VAL 641.A O no hydrogen 3.445 N/A ASP 570.A N GLY 574.A O no hydrogen 2.956 N/A THR 573.A OG1 GLN 575.A O no hydrogen 3.000 N/A GLN 575.A N THR 573.A O no hydrogen 2.810 N/A ALA 576.A N CYS 568.A O no hydrogen 2.762 N/A TYR 578.A N VAL 566.A O no hydrogen 2.999 N/A ALA 579.A N LYS 617.A O no hydrogen 3.006 N/A PHE 580.A N ALA 564.A O no hydrogen 2.961 N/A VAL 581.A N TYR 619.A O no hydrogen 2.874 N/A THR 582.A N GLU 562.A O no hydrogen 2.777 N/A THR 582.A OG1 VAL 621.A O no hydrogen 3.442 N/A LYS 584.A N GLY 559.A O no hydrogen 2.624 N/A PHE 587.A N LYS 584.A O no hydrogen 3.044 N/A LYS 590.A N ASP 588.A OD1 no hydrogen 2.848 N/A ALA 591.A N ASP 588.A OD1 no hydrogen 3.024 N/A LEU 597.A N LYS 593.A O no hydrogen 3.125 N/A SER 598.A N GLU 594.A O no hydrogen 2.868 N/A LYS 599.A N ALA 595.A O no hydrogen 3.061 N/A GLU 600.A N ASP 596.A O no hydrogen 2.909 N/A LEU 601.A N LEU 597.A O no hydrogen 2.869 N/A ALA 602.A N SER 598.A O no hydrogen 2.932 N/A ILE 603.A N LYS 599.A O no hydrogen 2.989 N/A GLN 604.A N GLU 600.A O no hydrogen 2.854 N/A VAL 605.A N LEU 601.A O no hydrogen 3.026 N/A ARG 606.A N ALA 602.A O no hydrogen 3.147 N/A LYS 607.A N ILE 603.A O no hydrogen 2.866 N/A VAL 608.A N VAL 605.A O no hydrogen 3.320 N/A ILE 609.A N VAL 605.A O no hydrogen 2.944 N/A ALA 613.A N GLY 610.A O no hydrogen 3.309 N/A LYS 616.A N VAL 577.A O no hydrogen 2.702 N/A TYR 619.A N ALA 579.A O no hydrogen 2.684 N/A VAL 621.A N VAL 581.A O no hydrogen 2.937 N/A LYS 626.A NZ THR 375.A OG1 no hydrogen 2.685 N/A LYS 626.A NZ GLU 562.A OE1 no hydrogen 2.797 N/A LYS 626.A NZ GLU 562.A OE2 no hydrogen 2.726 N/A THR 627.A N LYS 631.A O no hydrogen 2.933 N/A GLY 630.A N THR 627.A O no hydrogen 2.859 N/A LYS 631.A N THR 627.A OG1 no hydrogen 3.237 N/A LYS 631.A NZ GLY 403.A O no hydrogen 2.917 N/A ILE 632.A N GLU 404.A OE2 no hydrogen 3.401 N/A MET 633.A N PRO 625.A O no hydrogen 2.751 N/A ARG 634.A NE GLU 551.A OE2 no hydrogen 2.932 N/A ARG 634.A NH1 GLU 404.A OE2 no hydrogen 3.168 N/A ARG 634.A NH2 GLU 404.A OE2 no hydrogen 3.214 N/A ARG 634.A NH2 GLU 551.A OE1 no hydrogen 3.095 N/A ARG 634.A NH2 GLU 551.A OE2 no hydrogen 3.232 N/A ARG 635.A NE SER 283.A O.B no hydrogen 3.290 N/A ARG 635.A NH1 GLY 282.A O.B no hydrogen 2.869 N/A VAL 636.A N MET 633.A O no hydrogen 3.125 N/A ARG 638.A N ARG 634.A O no hydrogen 2.950 N/A ARG 638.A NH2 ASP 536.A OD1 no hydrogen 2.948 N/A LYS 639.A N ARG 635.A O no hydrogen 3.237 N/A ILE 640.A N VAL 636.A O no hydrogen 2.982 N/A VAL 641.A N LEU 637.A O no hydrogen 2.895 N/A ALA 642.A N LYS 639.A O no hydrogen 3.137 N/A GLY 643.A N ILE 640.A O no hydrogen 3.254 N/A GLU 649.A N GLN 646.A O no hydrogen 3.145 N/A VAL 651.A N ILE 647.A O no hydrogen 3.230 N/A LYS 652.A N VAL 648.A O no hydrogen 3.073 N/A GLN 653.A N GLU 649.A O no hydrogen 3.156 N/A LYS 654.A N GLU 650.A O no hydrogen 3.183 N/A VAL 655.A N VAL 651.A O no hydrogen 3.046 N/A THR 656.A N GLN 653.A O no hydrogen 3.060 N/A