Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jjj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N ASP 632.A OD2 no hydrogen 3.221 N/A GLN 4.A N SER 1.A OG no hydrogen 2.961 N/A ALA 5.A N SER 1.A O no hydrogen 2.971 N/A PHE 6.A N TYR 2.A O no hydrogen 2.819 N/A LEU 7.A N ASP 3.A O no hydrogen 2.969 N/A GLU 8.A N GLN 4.A O no hydrogen 2.929 N/A GLN 9.A N ALA 5.A O no hydrogen 2.995 N/A GLN 9.A NE2 GLN 621.A O no hydrogen 3.082 N/A GLN 9.A NE2 GLN 621.A OE1 no hydrogen 2.891 N/A TYR 10.A N PHE 6.A O no hydrogen 2.841 N/A TYR 10.A OH GLU 60.A OE1 no hydrogen 2.531 N/A TYR 10.A OH GLU 60.A OE2 no hydrogen 3.411 N/A GLU 11.A N LEU 7.A O no hydrogen 2.906 N/A LYS 12.A N GLU 8.A O no hydrogen 3.093 N/A LYS 12.A NZ ASP 535.A O no hydrogen 2.786 N/A LYS 12.A NZ GLY 538.A O no hydrogen 3.270 N/A ILE 13.A N GLN 9.A O no hydrogen 3.038 N/A LYS 14.A N TYR 10.A O no hydrogen 2.987 N/A LYS 14.A NZ GLU 60.A OE2 no hydrogen 2.814 N/A ALA 17.A N ASP 15.A OD1 no hydrogen 2.941 N/A SER 18.A N ASP 15.A O no hydrogen 2.869 N/A SER 18.A OG LYS 12.A O no hydrogen 2.703 N/A GLY 19.A N PRO 16.A O no hydrogen 3.130 N/A TYR 20.A OH ILE 537.A O no hydrogen 2.688 N/A ARG 22.A N.A VAL 29.A O no hydrogen 2.865 N/A ARG 22.A N.B VAL 29.A O no hydrogen 2.862 N/A ARG 22.A NH1.A ASP 153.A OD1 no hydrogen 2.845 N/A ARG 22.A NH1.B VAL 152.A O no hydrogen 2.852 N/A ARG 22.A NH1.B ASP 166.A OD1.B no hydrogen 2.659 N/A ARG 22.A NH2.A ASP 166.A OD1.A no hydrogen 3.013 N/A ARG 22.A NH2.A ASP 166.A OD2.B no hydrogen 3.021 N/A ARG 22.A NH2.B ASP 166.A O.A no hydrogen 3.382 N/A ARG 22.A NH2.B ASP 166.A O.B no hydrogen 3.313 N/A ARG 22.A NH2.B ASP 166.A OD1.A no hydrogen 3.235 N/A ARG 22.A NH2.B ASP 166.A OD2.B no hydrogen 3.460 N/A PHE 24.A N LEU 27.A O no hydrogen 2.890 N/A LEU 27.A N PHE 24.A O no hydrogen 3.016 N/A VAL 29.A N ARG 22.A O.A no hydrogen 2.905 N/A VAL 29.A N ARG 22.A O.B no hydrogen 2.901 N/A TYR 31.A N TYR 20.A O no hydrogen 2.878 N/A TYR 31.A OH ASP 153.A OD1 no hydrogen 2.772 N/A TYR 31.A OH ASP 153.A OD2 no hydrogen 3.169 N/A HIS 32.A N GLN 47.A O no hydrogen 2.947 N/A HIS 32.A NE2 GLU 40.A OE2 no hydrogen 2.916 N/A SER 33.A N GLY 45.A O no hydrogen 3.047 N/A SER 33.A OG GLU 35.A O no hydrogen 2.734 N/A VAL 34.A N HIS 616.A O no hydrogen 3.033 N/A THR 36.A OG1 ASP 592.A OD2 no hydrogen 2.624 N/A GLU 40.A N PRO 42.A O no hydrogen 3.017 N/A ALA 41.A N PRO 42.A O no hydrogen 2.956 N/A ASP 43.A N GLN 47.A OE1 no hydrogen 2.783 N/A HIS 44.A N GLN 47.A OE1 no hydrogen 3.199 N/A GLY 45.A N THR 36.A O no hydrogen 2.775 N/A HIS 46.A N HIS 44.A ND1 no hydrogen 3.059 N/A HIS 46.A ND1 ASP 153.A OD2 no hydrogen 2.898 N/A HIS 46.A NE2 VAL 34.A O no hydrogen 2.841 N/A GLN 47.A N HIS 44.A O no hydrogen 3.135 N/A THR 48.A N LEU 150.A O no hydrogen 2.897 N/A THR 48.A OG1 PRO 30.A O no hydrogen 2.591 N/A SER 50.A N TRP 148.A O no hydrogen 3.042 N/A ALA 52.A N THR 49.A OG1 no hydrogen 2.819 N/A PHE 53.A N THR 49.A O no hydrogen 3.126 N/A SER 54.A N SER 50.A O no hydrogen 2.904 N/A SER 54.A OG GLU 51.A O no hydrogen 2.772 N/A TYR 55.A N GLU 51.A O no hydrogen 3.057 N/A TYR 55.A OH GLU 623.A OE2 no hydrogen 2.493 N/A TYR 56.A N ALA 52.A O no hydrogen 2.869 N/A LEU 57.A N PHE 53.A O no hydrogen 2.983 N/A TRP 58.A N SER 54.A O no hydrogen 3.078 N/A LEU 59.A N TYR 55.A O no hydrogen 2.897 N/A GLU 60.A N TYR 56.A O no hydrogen 3.076 N/A ALA 61.A N LEU 57.A O no hydrogen 2.794 N/A TYR 62.A N TRP 58.A O no hydrogen 3.116 N/A TYR 62.A OH GLU 633.A OE1 no hydrogen 2.648 N/A TYR 63.A N LEU 59.A O no hydrogen 2.989 N/A GLY 64.A N GLU 60.A O no hydrogen 2.939 N/A ARG 65.A N ALA 61.A O no hydrogen 2.948 N/A VAL 66.A N TYR 62.A O no hydrogen 2.988 N/A THR 67.A N TYR 63.A O no hydrogen 2.929 N/A THR 67.A OG1 TYR 63.A O no hydrogen 2.789 N/A GLY 68.A N GLY 64.A O no hydrogen 2.789 N/A ASP 69.A N THR 67.A OG1 no hydrogen 3.120 N/A TRP 70.A NE1 GLN 243.A OE1 no hydrogen 2.844 N/A LYS 71.A N.A ASP 69.A OD1 no hydrogen 2.954 N/A LYS 71.A N.B ASP 69.A OD1 no hydrogen 2.909 N/A LYS 71.A NZ.A ASP 75.A OD2.A no hydrogen 3.475 N/A LYS 71.A NZ.A ASP 75.A OD2.B no hydrogen 3.104 N/A LYS 71.A NZ.B ASP 75.A OD1.A no hydrogen 3.090 N/A LYS 71.A NZ.B ASP 75.A OD2.A no hydrogen 3.457 N/A LYS 71.A NZ.B ASP 75.A OD2.B no hydrogen 2.718 N/A HIS 74.A N.A TRP 70.A O no hydrogen 3.238 N/A HIS 74.A N.B TRP 70.A O no hydrogen 3.194 N/A HIS 74.A ND1.A TRP 70.A O no hydrogen 2.821 N/A ASP 75.A N.A LYS 71.A O.A no hydrogen 2.872 N/A ASP 75.A N.A LYS 71.A O.B no hydrogen 2.956 N/A ASP 75.A N.B LYS 71.A O.A no hydrogen 2.905 N/A ASP 75.A N.B LYS 71.A O.B no hydrogen 2.980 N/A ALA 76.A N PRO 72.A O no hydrogen 2.963 N/A TRP 77.A N.A LEU 73.A O no hydrogen 2.984 N/A TRP 77.A N.B LEU 73.A O no hydrogen 3.031 N/A TRP 77.A NE1.A TYR 144.A OH no hydrogen 3.016 N/A GLU 78.A N.A HIS 74.A O.A no hydrogen 2.764 N/A GLU 78.A N.A HIS 74.A O.B no hydrogen 2.884 N/A GLU 78.A N.B HIS 74.A O.A no hydrogen 2.910 N/A GLU 78.A N.B HIS 74.A O.B no hydrogen 3.028 N/A SER 79.A N ASP 75.A O.A no hydrogen 2.813 N/A SER 79.A N ASP 75.A O.B no hydrogen 3.078 N/A SER 79.A OG LEU 28.A O no hydrogen 2.638 N/A MET 80.A N.A ALA 76.A O no hydrogen 2.992 N/A MET 80.A N.B ALA 76.A O no hydrogen 2.979 N/A GLU 81.A N TRP 77.A O.A no hydrogen 2.982 N/A GLU 81.A N TRP 77.A O.B no hydrogen 2.833 N/A THR 82.A N GLU 78.A O.A no hydrogen 2.902 N/A THR 82.A N GLU 78.A O.B no hydrogen 2.949 N/A THR 82.A OG1 GLU 78.A O.A no hydrogen 2.769 N/A THR 82.A OG1 GLU 78.A O.B no hydrogen 2.694 N/A PHE 83.A N SER 79.A O no hydrogen 2.932 N/A ILE 84.A N MET 80.A O.A no hydrogen 3.017 N/A ILE 84.A N MET 80.A O.B no hydrogen 3.001 N/A ILE 85.A N MET 80.A O.A no hydrogen 3.103 N/A ILE 85.A N MET 80.A O.B no hydrogen 3.142 N/A GLY 87.A N ASP 90.A OD2 no hydrogen 2.810 N/A THR 88.A OG1 GLU 142.A OE1 no hydrogen 3.390 N/A THR 88.A OG1 GLU 142.A OE2 no hydrogen 2.467 N/A ASP 90.A N GLY 87.A O no hydrogen 2.927 N/A GLN 91.A N GLY 87.A O no hydrogen 2.955 N/A GLN 91.A NE2 PRO 86.A O no hydrogen 2.799 N/A GLN 91.A NE2 ILE 143.A O no hydrogen 2.973 N/A THR 93.A OG1 SER 306.A O no hydrogen 2.675 N/A ASN 94.A ND2 GLN 91.A OE1 no hydrogen 2.953 N/A ALA 96.A N THR 93.A O no hydrogen 3.273 N/A TYR 97.A N ASN 94.A O no hydrogen 2.919 N/A TYR 97.A OH ASP 128.A OD2 no hydrogen 2.658 N/A ASN 100.A N ASN 98.A OD1 no hydrogen 3.022 N/A SER 101.A N.A ASN 98.A O no hydrogen 2.813 N/A SER 101.A N.B ASN 98.A O no hydrogen 2.801 N/A ILE 106.A N TYR 271.A OH no hydrogen 3.275 N/A GLU 108.A N GLY 381.A O no hydrogen 3.086 N/A GLN 109.A N TYR 115.A OH no hydrogen 2.941 N/A GLN 109.A NE2 SER 117.A OG no hydrogen 2.891 N/A ASN 111.A ND2 SER 557.A O no hydrogen 2.900 N/A ALA 112.A N ASN 111.A OD1 no hydrogen 2.870 N/A GLY 114.A N ASN 111.A O no hydrogen 2.968 N/A TYR 115.A N ALA 112.A O no hydrogen 3.132 N/A SER 117.A N PHE 207.A O no hydrogen 3.093 N/A SER 117.A OG PRO 107.A O no hydrogen 2.730 N/A MET 120.A N.A TYR 105.A O no hydrogen 2.872 N/A MET 120.A N.B TYR 105.A O no hydrogen 2.911 N/A VAL 123.A N MET 120.A O.B no hydrogen 3.287 N/A GLY 126.A N TYR 271.A O no hydrogen 2.890 N/A GLN 127.A N GLY 287.A O no hydrogen 3.007 N/A ASP 128.A N PRO 99.A O no hydrogen 2.892 N/A LEU 130.A N ASP 128.A OD1 no hydrogen 2.744 N/A ALA 131.A N ASP 128.A OD1 no hydrogen 3.068 N/A LEU 134.A N LEU 130.A O no hydrogen 2.908 N/A SER 135.A N ALA 131.A O no hydrogen 2.938 N/A SER 135.A OG ASN 141.A OD1 no hydrogen 3.331 N/A SER 136.A N.A GLN 132.A O.A no hydrogen 2.917 N/A SER 136.A N.A GLN 132.A O.B no hydrogen 2.859 N/A SER 136.A N.B GLN 132.A O.A no hydrogen 2.924 N/A SER 136.A N.B GLN 132.A O.B no hydrogen 2.868 N/A SER 136.A OG.A GLN 132.A O.A no hydrogen 3.140 N/A SER 136.A OG.A GLN 132.A O.B no hydrogen 3.088 N/A THR 137.A N GLU 133.A O.A no hydrogen 2.849 N/A THR 137.A N GLU 133.A O.B no hydrogen 2.864 N/A THR 137.A OG1 GLU 133.A O.A no hydrogen 2.723 N/A THR 137.A OG1 GLU 133.A O.B no hydrogen 2.665 N/A TYR 138.A N LEU 134.A O no hydrogen 2.945 N/A TYR 138.A OH ASP 261.A OD2 no hydrogen 2.503 N/A GLY 139.A N SER 135.A O no hydrogen 2.874 N/A GLU 142.A N THR 140.A OG1 no hydrogen 3.133 N/A ILE 143.A N GLN 91.A OE1 no hydrogen 3.093 N/A TYR 144.A OH GLU 81.A OE2 no hydrogen 2.539 N/A MET 146.A N ASP 226.A OD2 no hydrogen 3.091 N/A HIS 147.A N ILE 84.A O no hydrogen 2.945 N/A HIS 147.A NE2 ILE 172.A O no hydrogen 2.735 N/A TRP 148.A NE1 ASN 173.A OD1 no hydrogen 2.861 N/A LEU 150.A N THR 48.A O no hydrogen 2.871 N/A ASP 151.A N ALA 170.A O no hydrogen 2.866 N/A VAL 152.A N HIS 46.A O no hydrogen 3.067 N/A ASN 154.A N.A ASP 151.A O no hydrogen 3.457 N/A ASN 154.A ND2.A GLY 164.A O no hydrogen 3.143 N/A ASN 154.A ND2.B ASP 166.A OD1.B no hydrogen 3.105 N/A ASN 154.A ND2.B ALA 168.A O no hydrogen 3.081 N/A VAL 155.A N ASP 151.A OD1 no hydrogen 2.937 N/A TYR 156.A N ASP 151.A OD2 no hydrogen 2.824 N/A TYR 156.A OH ASP 43.A OD1 no hydrogen 2.615 N/A GLY 157.A N ASN 154.A O.A no hydrogen 3.184 N/A GLY 157.A N ASN 154.A O.B no hydrogen 2.871 N/A GLY 159.A N ASN 154.A OD1.A no hydrogen 3.008 N/A PHE 160.A N ASP 163.A OD2 no hydrogen 2.869 N/A ASP 163.A N PHE 160.A O no hydrogen 2.865 N/A GLY 164.A N PHE 158.A O no hydrogen 3.056 N/A THR 165.A N ASP 163.A OD2 no hydrogen 3.002 N/A THR 165.A OG1 ASP 163.A OD1 no hydrogen 3.535 N/A THR 165.A OG1 ASP 163.A OD2 no hydrogen 2.733 N/A ALA 170.A N ASP 151.A O no hydrogen 3.015 N/A ILE 172.A N LEU 149.A O no hydrogen 3.352 N/A ASN 173.A N HIS 189.A O no hydrogen 2.919 N/A TYR 175.A N THR 174.A OG1 no hydrogen 2.726 N/A TYR 175.A OH ALA 41.A O no hydrogen 2.827 N/A GLN 176.A N GLU 181.A OE1 no hydrogen 2.833 N/A GLN 176.A NE2 TYR 175.A O no hydrogen 2.916 N/A ARG 177.A N GLU 181.A OE1 no hydrogen 2.836 N/A ARG 177.A NE GLU 181.A OE2 no hydrogen 2.885 N/A ARG 177.A NH1 TYR 561.A O no hydrogen 2.808 N/A ARG 177.A NH2 GLU 181.A OE2 no hydrogen 3.486 N/A ARG 177.A NH2 GLU 185.A O no hydrogen 2.933 N/A ARG 177.A NH2 TYR 561.A O no hydrogen 3.248 N/A ARG 180.A NH2 GLU 558.A OE2 no hydrogen 2.879 N/A GLU 181.A N GLY 178.A O no hydrogen 3.177 N/A SER 182.A N GLU 185.A OE1 no hydrogen 2.849 N/A SER 182.A OG GLU 185.A OE1 no hydrogen 3.047 N/A TRP 184.A N SER 182.A OG no hydrogen 3.041 N/A GLU 185.A N SER 182.A O no hydrogen 2.928 N/A HIS 189.A N ASN 173.A O no hydrogen 2.986 N/A HIS 189.A ND1 ILE 187.A O no hydrogen 2.851 N/A SER 191.A N TYR 171.A O no hydrogen 2.999 N/A SER 191.A OG HIS 147.A NE2 no hydrogen 3.422 N/A ASP 193.A N GLN 216.A O no hydrogen 2.812 N/A PHE 195.A N ASP 193.A OD1 no hydrogen 2.911 N/A THR 196.A N ASP 194.A OD1 no hydrogen 3.025 N/A THR 196.A OG1 ASP 194.A OD1 no hydrogen 2.667 N/A THR 196.A OG1 ASP 194.A OD2 no hydrogen 2.982 N/A GLY 198.A N THR 569.A O no hydrogen 2.901 N/A GLY 199.A N GLY 202.A O no hydrogen 2.825 N/A ASN 201.A ND2 ASP 205.A OD2 no hydrogen 3.057 N/A GLY 202.A N GLY 199.A O no hydrogen 2.927 N/A TYR 203.A N ASP 193.A OD2 no hydrogen 2.833 N/A LEU 204.A N ASN 201.A O no hydrogen 3.080 N/A LEU 206.A N TYR 203.A O no hydrogen 3.092 N/A PHE 207.A N LEU 204.A O no hydrogen 3.111 N/A THR 208.A N LEU 204.A O no hydrogen 3.082 N/A ASP 209.A N SER 117.A O no hydrogen 2.844 N/A ASP 210.A N TYR 213.A OH no hydrogen 3.038 N/A GLN 211.A N ASP 210.A OD1 no hydrogen 2.694 N/A TYR 213.A OH THR 208.A O no hydrogen 2.654 N/A GLN 216.A N ASP 193.A O no hydrogen 3.118 N/A GLN 216.A NE2 ALA 214.A O no hydrogen 2.944 N/A TRP 217.A N GLY 305.A O no hydrogen 2.972 N/A TRP 217.A NE1 THR 93.A OG1 no hydrogen 2.948 N/A ARG 218.A N SER 191.A O no hydrogen 2.990 N/A ARG 218.A NH1 PRO 190.A O no hydrogen 2.924 N/A ARG 218.A NH1 SER 191.A O no hydrogen 2.891 N/A TYR 219.A N TRP 303.A O no hydrogen 2.893 N/A TYR 219.A OH ASP 90.A O no hydrogen 2.631 N/A THR 220.A N HIS 147.A ND1 no hydrogen 3.042 N/A ASN 221.A N TYR 301.A O no hydrogen 2.877 N/A ASN 221.A ND2 MET 146.A O no hydrogen 3.123 N/A ASN 221.A ND2 ASP 226.A OD2 no hydrogen 2.927 N/A ALA 225.A N ALA 222.A O no hydrogen 2.865 N/A ASP 226.A N ALA 222.A O no hydrogen 3.163 N/A ALA 227.A N PRO 223.A O no hydrogen 2.945 N/A ARG 228.A N ASN 224.A O no hydrogen 3.113 N/A ARG 228.A NH1 SER 54.A OG no hydrogen 2.927 N/A ALA 229.A N ALA 225.A O no hydrogen 3.011 N/A VAL 230.A N ASP 226.A O no hydrogen 3.209 N/A GLN 231.A N ALA 227.A O no hydrogen 2.952 N/A GLN 231.A NE2 GLN 425.A OE1 no hydrogen 2.787 N/A VAL 232.A N ARG 228.A O no hydrogen 2.885 N/A MET 233.A N ALA 229.A O no hydrogen 3.203 N/A PHE 234.A N VAL 230.A O no hydrogen 3.048 N/A TRP 235.A N GLN 231.A O no hydrogen 3.325 N/A TRP 235.A NE1 GLN 425.A OE1 no hydrogen 2.746 N/A ALA 236.A N VAL 232.A O no hydrogen 2.824 N/A HIS 237.A N.A MET 233.A O no hydrogen 3.028 N/A HIS 237.A N.B MET 233.A O no hydrogen 3.015 N/A HIS 237.A ND1.A GLU 238.A OE2 no hydrogen 2.925 N/A HIS 237.A NE2.A GLU 246.A OE2.B no hydrogen 2.797 N/A GLU 238.A N PHE 234.A O no hydrogen 3.025 N/A TRP 239.A N TRP 235.A O no hydrogen 2.843 N/A TRP 239.A NE1 GLU 633.A OE2 no hydrogen 3.015 N/A ALA 240.A N ALA 236.A O no hydrogen 2.743 N/A LYS 241.A N.A HIS 237.A O.A no hydrogen 2.814 N/A LYS 241.A N.A HIS 237.A O.B no hydrogen 2.821 N/A LYS 241.A N.B HIS 237.A O.A no hydrogen 2.808 N/A LYS 241.A N.B HIS 237.A O.B no hydrogen 2.815 N/A GLU 242.A N GLU 238.A O no hydrogen 3.117 N/A GLN 243.A N TRP 239.A O no hydrogen 3.395 N/A GLN 243.A NE2 GLY 64.A O no hydrogen 2.962 N/A GLY 244.A N LYS 241.A O.A no hydrogen 2.992 N/A GLY 244.A N LYS 241.A O.B no hydrogen 2.832 N/A LYS 245.A N ALA 240.A O no hydrogen 2.889 N/A LYS 245.A NZ GLY 68.A O no hydrogen 3.077 N/A GLU 246.A N.A GLU 246.A OE1.A no hydrogen 2.934 N/A GLU 248.A N LYS 245.A O no hydrogen 2.899 N/A ILE 249.A N GLU 246.A O.A no hydrogen 3.367 N/A ILE 249.A N GLU 246.A O.B no hydrogen 2.871 N/A ALA 250.A N ASN 247.A O.A no hydrogen 3.367 N/A MET 253.A N.A ILE 249.A O no hydrogen 3.008 N/A MET 253.A N.B ILE 249.A O no hydrogen 3.002 N/A ASP 254.A N.A ALA 250.A O no hydrogen 3.020 N/A ASP 254.A N.B ALA 250.A O no hydrogen 3.146 N/A LYS 255.A N.A GLY 251.A O no hydrogen 3.076 N/A LYS 255.A N.B GLY 251.A O no hydrogen 2.899 N/A LYS 255.A NZ.A GLU 81.A OE1 no hydrogen 3.221 N/A LYS 255.A NZ.A GLU 81.A OE2 no hydrogen 3.193 N/A ALA 256.A N LEU 252.A O no hydrogen 2.923 N/A SER 257.A N.A MET 253.A O.A no hydrogen 2.980 N/A SER 257.A N.A MET 253.A O.B no hydrogen 2.839 N/A SER 257.A N.B MET 253.A O.A no hydrogen 2.986 N/A SER 257.A N.B MET 253.A O.B no hydrogen 2.845 N/A SER 257.A N.B ASP 254.A O.A no hydrogen 3.135 N/A SER 257.A N.C MET 253.A O.A no hydrogen 2.928 N/A SER 257.A N.C MET 253.A O.B no hydrogen 2.780 N/A SER 257.A OG.A ASP 254.A O.A no hydrogen 2.684 N/A SER 257.A OG.A ASP 254.A O.B no hydrogen 3.333 N/A SER 257.A OG.B MET 253.A O.A no hydrogen 2.758 N/A SER 257.A OG.B MET 253.A O.B no hydrogen 2.990 N/A SER 257.A OG.B GLU 338.A O.B no hydrogen 3.198 N/A SER 257.A OG.B LEU 339.A O no hydrogen 3.001 N/A SER 257.A OG.C LEU 339.A O no hydrogen 3.264 N/A SER 257.A OG.C GLN 340.A O no hydrogen 3.026 N/A LYS 258.A N ASP 254.A O.A no hydrogen 3.004 N/A LYS 258.A N ASP 254.A O.B no hydrogen 3.112 N/A MET 259.A N LYS 255.A O.A no hydrogen 3.027 N/A MET 259.A N LYS 255.A O.B no hydrogen 2.905 N/A GLY 260.A N ALA 256.A O no hydrogen 2.938 N/A ASP 261.A N SER 257.A O.A no hydrogen 2.920 N/A ASP 261.A N SER 257.A O.B no hydrogen 2.916 N/A ASP 261.A N SER 257.A O.C no hydrogen 2.995 N/A TYR 262.A N LYS 258.A O no hydrogen 3.098 N/A TYR 262.A OH GLU 142.A O no hydrogen 3.325 N/A LEU 263.A N MET 259.A O no hydrogen 2.909 N/A ARG 264.A N ASP 261.A O no hydrogen 3.322 N/A ARG 264.A NE ASP 261.A O no hydrogen 3.097 N/A ARG 264.A NH1 GLU 133.A OE1.A no hydrogen 3.104 N/A ARG 264.A NH1 GLU 133.A OE1.B no hydrogen 2.962 N/A ARG 264.A NH1 THR 345.A OG1 no hydrogen 3.176 N/A ARG 264.A NH1 ASP 349.A OD2 no hydrogen 2.815 N/A ARG 264.A NH2 GLU 133.A OE1.A no hydrogen 2.873 N/A ARG 264.A NH2 GLU 133.A OE1.B no hydrogen 2.883 N/A TYR 265.A N TYR 262.A O no hydrogen 3.030 N/A TYR 265.A OH ASP 128.A OD1 no hydrogen 3.366 N/A TYR 265.A OH ASP 128.A OD2 no hydrogen 2.651 N/A ALA 266.A N LEU 263.A O no hydrogen 2.920 N/A MET 267.A N ARG 264.A O no hydrogen 2.859 N/A PHE 268.A N TYR 265.A O no hydrogen 3.324 N/A ASP 269.A N SER 292.A O no hydrogen 2.957 N/A LYS 270.A N SER 318.A OG no hydrogen 3.093 N/A LYS 270.A NZ GLU 108.A OE2 no hydrogen 2.819 N/A TYR 271.A N ASP 269.A OD2 no hydrogen 3.067 N/A PHE 272.A N ASP 269.A O no hydrogen 2.989 N/A LYS 273.A N ASP 269.A OD2 no hydrogen 3.034 N/A LYS 273.A NZ PRO 124.A O no hydrogen 2.695 N/A LYS 273.A NZ ALA 281.A O no hydrogen 2.769 N/A LYS 273.A NZ CYS 284.A O no hydrogen 2.753 N/A LYS 274.A N PRO 285.A O no hydrogen 2.966 N/A ILE 275.A N ASP 291.A O no hydrogen 2.928 N/A GLY 276.A N ASN 377.A OD1 no hydrogen 2.939 N/A ASN 277.A N GLY 395.A O no hydrogen 2.902 N/A CYS 278.A SG LYS 274.A O no hydrogen 3.833 N/A GLY 280.A N TYR 383.A O no hydrogen 2.709 N/A SER 283.A N GLY 280.A O no hydrogen 3.075 N/A CYS 284.A N GLY 280.A O no hydrogen 2.823 N/A CYS 284.A SG LYS 274.A O no hydrogen 3.701 N/A GLY 287.A N PHE 272.A O no hydrogen 2.729 N/A GLN 288.A N ASP 291.A OD1 no hydrogen 2.954 N/A LYS 290.A NZ THR 345.A OG1 no hydrogen 2.918 N/A LYS 290.A NZ ASP 349.A OD1 no hydrogen 3.022 N/A LYS 290.A NZ ASP 349.A OD2 no hydrogen 2.881 N/A ASP 291.A N GLN 288.A O no hydrogen 3.156 N/A ALA 293.A N LYS 290.A O no hydrogen 3.051 N/A HIS 294.A N MET 267.A O no hydrogen 2.768 N/A HIS 294.A NE2 SER 317.A O no hydrogen 2.998 N/A TYR 295.A N MET 267.A O no hydrogen 3.108 N/A LEU 296.A N HIS 294.A ND1 no hydrogen 3.104 N/A SER 298.A N ALA 266.A O no hydrogen 3.228 N/A SER 298.A OG ALA 266.A O no hydrogen 2.613 N/A SER 298.A OG TYR 300.A O no hydrogen 3.253 N/A SER 298.A OG SER 317.A O no hydrogen 3.320 N/A SER 298.A OG SER 317.A OG no hydrogen 2.733 N/A TRP 299.A N SER 319.A O.A no hydrogen 3.115 N/A TRP 299.A N SER 319.A O.B no hydrogen 3.242 N/A TYR 300.A N SER 317.A OG no hydrogen 3.190 N/A SER 302.A N ILE 315.A O no hydrogen 2.990 N/A SER 302.A OG TYR 219.A O no hydrogen 2.837 N/A TRP 303.A N TYR 219.A O no hydrogen 3.125 N/A TRP 303.A NE1 GLN 91.A OE1 no hydrogen 2.988 N/A GLY 304.A N TRP 313.A O no hydrogen 2.971 N/A GLY 305.A N TRP 217.A O no hydrogen 2.942 N/A SER 306.A N TRP 311.A O no hydrogen 2.922 N/A SER 306.A OG ASP 308.A OD1 no hydrogen 2.632 N/A LEU 307.A N LYS 215.A O no hydrogen 2.881 N/A TRP 311.A N SER 306.A OG no hydrogen 3.208 N/A TRP 313.A N GLY 304.A O no hydrogen 2.892 N/A ARG 314.A N PRO 102.A O no hydrogen 2.998 N/A ARG 314.A NH1 TYR 265.A OH no hydrogen 3.011 N/A ARG 314.A NH2 ASN 94.A OD1 no hydrogen 3.249 N/A ARG 314.A NH2 ASN 141.A O no hydrogen 2.830 N/A ILE 315.A N SER 302.A O no hydrogen 2.878 N/A GLY 316.A N LYS 270.A O no hydrogen 3.216 N/A SER 317.A N PHE 268.A O no hydrogen 2.983 N/A SER 317.A OG SER 298.A OG no hydrogen 2.733 N/A SER 317.A OG TYR 300.A O no hydrogen 3.026 N/A SER 318.A OG ASP 269.A OD1 no hydrogen 2.732 N/A SER 319.A OG.B THR 376.A OG1 no hydrogen 2.697 N/A SER 320.A N ALA 375.A O no hydrogen 2.925 N/A HIS 321.A NE2 SER 409.A O no hydrogen 2.955 N/A GLN 322.A N GLY 373.A O no hydrogen 2.847 N/A GLN 322.A NE2 ASN 410.A OD1 no hydrogen 2.897 N/A GLY 323.A N HIS 321.A ND1 no hydrogen 2.893 N/A TYR 324.A N HIS 321.A O no hydrogen 3.030 N/A GLN 325.A N GLN 322.A O no hydrogen 3.146 N/A ASN 326.A N GLN 357.A OE1 no hydrogen 2.757 N/A ASN 326.A ND2 GLN 231.A OE1 no hydrogen 3.054 N/A ALA 329.A N ASN 326.A OD1 no hydrogen 2.868 N/A ALA 330.A N ASN 326.A O no hydrogen 2.956 N/A TYR 331.A N VAL 327.A O no hydrogen 2.926 N/A ALA 332.A N LEU 328.A O no hydrogen 2.920 N/A LEU 333.A N ALA 329.A O no hydrogen 2.896 N/A SER 334.A N ALA 330.A O no hydrogen 2.992 N/A SER 334.A OG ALA 330.A O no hydrogen 2.739 N/A SER 334.A OG TYR 331.A O no hydrogen 3.337 N/A GLN 335.A N.A TYR 331.A O no hydrogen 2.800 N/A GLN 335.A N.B TYR 331.A O no hydrogen 2.773 N/A GLN 335.A NE2.B SER 334.A OG no hydrogen 2.944 N/A VAL 336.A N ALA 332.A O no hydrogen 2.987 N/A GLU 338.A N.B GLU 338.A OE1.B no hydrogen 2.867 N/A LEU 339.A N VAL 336.A O no hydrogen 2.900 N/A GLN 340.A N VAL 336.A O no hydrogen 2.967 N/A GLN 340.A NE2 SER 334.A O no hydrogen 3.013 N/A SER 343.A N ASP 261.A OD2 no hydrogen 3.304 N/A SER 343.A OG GLU 133.A OE1.B no hydrogen 3.308 N/A SER 343.A OG ASP 261.A OD1 no hydrogen 2.787 N/A SER 343.A OG ASP 261.A OD2 no hydrogen 3.170 N/A THR 345.A N GLU 133.A OE2.A no hydrogen 2.872 N/A THR 345.A OG1 GLU 133.A OE1.A no hydrogen 3.225 N/A THR 345.A OG1 GLU 133.A OE1.B no hydrogen 2.808 N/A THR 345.A OG1 GLU 133.A OE2.A no hydrogen 2.981 N/A THR 345.A OG1 GLU 133.A OE2.B no hydrogen 2.668 N/A GLY 346.A N SER 343.A O no hydrogen 3.363 N/A ASP 349.A N THR 345.A O no hydrogen 2.974 N/A TRP 350.A N GLY 346.A O no hydrogen 3.061 N/A TRP 350.A NE1 GLY 260.A O no hydrogen 2.876 N/A ALA 351.A N VAL 347.A O no hydrogen 2.727 N/A THR 352.A N GLN 348.A O no hydrogen 2.893 N/A THR 352.A OG1 GLN 348.A O no hydrogen 2.987 N/A SER 353.A N ASP 349.A O no hydrogen 2.853 N/A SER 353.A OG TYR 295.A O no hydrogen 2.681 N/A PHE 354.A N TRP 350.A O no hydrogen 2.814 N/A ASP 355.A N.A ALA 351.A O no hydrogen 3.283 N/A ASP 355.A N.B ALA 351.A O no hydrogen 3.295 N/A ARG 356.A N THR 352.A O no hydrogen 2.897 N/A GLN 357.A N SER 353.A O no hydrogen 2.743 N/A GLN 357.A NE2 SER 353.A OG no hydrogen 2.845 N/A LEU 358.A N PHE 354.A O no hydrogen 3.271 N/A GLU 359.A N ASP 355.A O.A no hydrogen 3.039 N/A GLU 359.A N ASP 355.A O.B no hydrogen 3.160 N/A PHE 360.A N ARG 356.A O no hydrogen 2.874 N/A LEU 361.A N GLN 357.A O no hydrogen 2.982 N/A GLN 362.A N LEU 358.A O no hydrogen 3.161 N/A GLN 362.A NE2 GLN 362.A O no hydrogen 2.998 N/A GLN 362.A NE2 GLN 365.A OE1 no hydrogen 2.900 N/A TRP 363.A N GLU 359.A O no hydrogen 2.873 N/A TRP 363.A NE1 ASP 474.A O no hydrogen 2.823 N/A LEU 364.A N PHE 360.A O no hydrogen 3.028 N/A GLN 365.A N GLN 362.A O no hydrogen 3.068 N/A GLN 365.A NE2 GLY 369.A O no hydrogen 3.065 N/A GLN 365.A NE2 ILE 438.A O no hydrogen 3.073 N/A SER 366.A N GLY 370.A O no hydrogen 2.921 N/A SER 366.A OG GLY 370.A O no hydrogen 2.727 N/A ALA 367.A N LEU 486.A O no hydrogen 2.883 N/A GLY 369.A N SER 366.A OG no hydrogen 3.014 N/A ILE 371.A N GLN 416.A OE1 no hydrogen 2.898 N/A ALA 372.A N LEU 364.A O no hydrogen 2.713 N/A ALA 375.A N SER 320.A O no hydrogen 3.151 N/A THR 376.A N TYR 397.A O no hydrogen 2.940 N/A THR 376.A OG1 SER 319.A OG.B no hydrogen 2.697 N/A THR 376.A OG1 SER 378.A O no hydrogen 3.250 N/A ASN 377.A N SER 318.A O no hydrogen 2.889 N/A ASN 377.A ND2 ASP 269.A OD1 no hydrogen 2.907 N/A ASN 377.A ND2 LYS 274.A O no hydrogen 3.385 N/A SER 378.A N THR 376.A OG1 no hydrogen 2.977 N/A GLY 381.A N SER 378.A O no hydrogen 2.941 N/A SER 382.A N TRP 379.A O no hydrogen 3.212 N/A TYR 383.A N SER 378.A OG no hydrogen 3.020 N/A TYR 383.A OH ASP 269.A OD2 no hydrogen 2.676 N/A ASP 384.A N TRP 379.A O no hydrogen 3.002 N/A THR 385.A N ASP 384.A OD1 no hydrogen 2.787 N/A LEU 390.A N PRO 387.A O no hydrogen 3.132 N/A SER 391.A N.A GLN 472.A OE1 no hydrogen 3.150 N/A SER 391.A N.B GLN 472.A OE1 no hydrogen 3.174 N/A SER 391.A OG.A PRO 473.A O no hydrogen 2.734 N/A SER 391.A OG.B PRO 473.A O no hydrogen 2.783 N/A GLN 392.A N THR 475.A OG1.B no hydrogen 2.842 N/A GLN 392.A N THR 475.A OG1.C no hydrogen 3.196 N/A GLN 392.A NE2 ASN 277.A OD1 no hydrogen 2.712 N/A GLN 392.A NE2 GLY 395.A O no hydrogen 3.324 N/A PHE 393.A N MET 396.A O no hydrogen 2.907 N/A TYR 394.A OH GLU 359.A OE1 no hydrogen 2.598 N/A TYR 394.A OH GLU 359.A OE2 no hydrogen 3.354 N/A MET 396.A N PHE 393.A O no hydrogen 2.930 N/A TYR 397.A N THR 376.A O no hydrogen 2.846 N/A TYR 398.A N SER 391.A O.A no hydrogen 2.907 N/A TYR 398.A N SER 391.A O.B no hydrogen 2.947 N/A ASP 399.A N GLY 374.A O no hydrogen 2.915 N/A GLN 401.A N ASP 399.A OD1 no hydrogen 2.942 N/A TRP 404.A N PRO 402.A O no hydrogen 2.777 N/A ASN 405.A N ALA 179.A O no hydrogen 2.862 N/A SER 409.A N TRP 404.A O no hydrogen 3.106 N/A SER 409.A OG PRO 402.A O no hydrogen 2.617 N/A ASN 410.A ND2 ILE 371.A O no hydrogen 3.026 N/A ASN 411.A N PRO 408.A O no hydrogen 3.280 N/A PHE 413.A N SER 465.A O no hydrogen 2.816 N/A PHE 415.A N TRP 412.A O no hydrogen 3.265 N/A GLN 416.A N PHE 413.A O no hydrogen 2.898 N/A GLN 416.A NE2 ILE 371.A O no hydrogen 2.926 N/A TRP 418.A N GLY 414.A O no hydrogen 2.967 N/A TRP 418.A NE1 GLU 623.A OE2 no hydrogen 3.127 N/A ASN 419.A N PHE 415.A O no hydrogen 3.098 N/A ASN 419.A ND2 GLN 322.A OE1 no hydrogen 3.062 N/A MET 420.A N.A GLN 416.A O no hydrogen 2.846 N/A MET 420.A N.B GLN 416.A O no hydrogen 2.850 N/A GLU 421.A N VAL 417.A O no hydrogen 2.863 N/A ARG 422.A N ASN 419.A O no hydrogen 2.918 N/A ARG 422.A NH1 GLY 323.A O no hydrogen 2.892 N/A ARG 422.A NH1 GLN 325.A O no hydrogen 2.909 N/A ARG 422.A NH2 ASN 224.A OD1 no hydrogen 2.813 N/A VAL 423.A N ASN 419.A O no hydrogen 3.104 N/A ALA 424.A N MET 420.A O.A no hydrogen 2.777 N/A ALA 424.A N MET 420.A O.B no hydrogen 2.922 N/A GLN 425.A N GLU 421.A O no hydrogen 2.774 N/A LEU 426.A N ARG 422.A O no hydrogen 2.950 N/A TYR 427.A N VAL 423.A O no hydrogen 2.991 N/A TYR 428.A N ALA 424.A O no hydrogen 2.820 N/A VAL 429.A N GLN 425.A O no hydrogen 2.905 N/A THR 430.A N LEU 426.A O no hydrogen 2.851 N/A THR 430.A OG1 LEU 426.A O no hydrogen 3.296 N/A GLY 431.A N TYR 427.A O no hydrogen 2.742 N/A ASP 432.A N THR 430.A OG1 no hydrogen 3.059 N/A ARG 434.A N ASP 432.A OD1 no hydrogen 2.895 N/A ARG 434.A NE ASP 432.A OD1 no hydrogen 3.106 N/A ARG 434.A NH2 ASP 432.A OD2 no hydrogen 2.800 N/A ALA 435.A N ASP 432.A OD1 no hydrogen 3.189 N/A GLU 436.A N ASP 432.A O no hydrogen 2.917 N/A ALA 437.A N ALA 433.A O no hydrogen 3.045 N/A ILE 438.A N ARG 434.A O no hydrogen 3.233 N/A LEU 439.A N ALA 435.A O no hydrogen 2.963 N/A ASP 440.A N GLU 436.A O no hydrogen 2.756 N/A LYS 441.A N ILE 438.A O no hydrogen 3.237 N/A LYS 441.A NZ SER 366.A O no hydrogen 3.146 N/A LYS 441.A NZ TYR 480.A OH no hydrogen 2.968 N/A TRP 442.A N ILE 438.A O no hydrogen 2.863 N/A TRP 442.A NE1 GLN 416.A OE1 no hydrogen 2.991 N/A VAL 443.A N LEU 439.A O no hydrogen 2.836 N/A ALA 446.A N TRP 442.A O no hydrogen 2.960 N/A ILE 447.A N VAL 443.A O no hydrogen 2.907 N/A GLN 448.A N.A PRO 444.A O no hydrogen 2.898 N/A GLN 448.A N.B PRO 444.A O no hydrogen 2.930 N/A HIS 449.A N ALA 446.A O no hydrogen 3.070 N/A HIS 449.A ND1 TRP 445.A O no hydrogen 2.756 N/A THR 450.A N ILE 447.A O no hydrogen 3.043 N/A THR 450.A OG1 ALA 446.A O no hydrogen 2.832 N/A ASP 451.A N GLN 462.A O.A no hydrogen 2.923 N/A ASP 451.A N GLN 462.A O.B no hydrogen 3.019 N/A ASP 453.A N ASP 451.A OD1 no hydrogen 2.879 N/A ASN 456.A N.A ASP 453.A O no hydrogen 3.070 N/A ASN 456.A N.B ASP 453.A O no hydrogen 3.068 N/A ASN 456.A ND2.B ASP 453.A OD1 no hydrogen 2.977 N/A GLY 457.A N ALA 454.A O no hydrogen 3.277 N/A GLY 458.A N ASP 453.A O no hydrogen 2.991 N/A GLN 459.A N ASN 456.A O.A no hydrogen 3.144 N/A GLN 459.A N ASN 456.A O.B no hydrogen 3.228 N/A GLN 459.A NE2 ALA 532.A O no hydrogen 3.354 N/A ASN 460.A N ASP 453.A OD2 no hydrogen 2.774 N/A PHE 461.A N GLY 458.A O no hydrogen 3.275 N/A GLN 462.A N.A ASP 451.A O no hydrogen 2.792 N/A GLN 462.A N.B ASP 451.A O no hydrogen 2.782 N/A GLN 462.A NE2.A PHE 461.A O no hydrogen 3.013 N/A VAL 463.A N SER 494.A O no hydrogen 2.940 N/A SER 465.A N SER 492.A O no hydrogen 2.914 N/A SER 465.A OG ASP 466.A OD1.B no hydrogen 2.905 N/A ASP 466.A N.A SER 492.A O no hydrogen 3.291 N/A ASP 466.A N.A SER 492.A OG no hydrogen 3.140 N/A ASP 466.A N.B SER 492.A O no hydrogen 3.355 N/A ASP 466.A N.B SER 492.A OG no hydrogen 3.067 N/A LEU 467.A N ASN 411.A O no hydrogen 2.725 N/A GLU 468.A N.A GLN 489.A O no hydrogen 2.825 N/A GLU 468.A N.B GLN 489.A O no hydrogen 2.824 N/A TRP 469.A NE1 ASN 410.A O no hydrogen 2.850 N/A SER 470.A N HIS 487.A O no hydrogen 3.018 N/A GLN 472.A N ASN 485.A O no hydrogen 3.059 N/A GLN 472.A NE2 GLY 389.A O no hydrogen 3.141 N/A ASP 474.A N ASN 483.A OD1 no hydrogen 2.876 N/A THR 475.A OG1.B GLN 392.A O no hydrogen 3.260 N/A TRP 476.A N GLN 392.A O no hydrogen 2.928 N/A TRP 476.A NE1 GLU 359.A OE1 no hydrogen 2.975 N/A TYR 480.A OH GLN 365.A O no hydrogen 2.765 N/A THR 481.A OG1 ASP 474.A OD2 no hydrogen 2.639 N/A THR 481.A OG1 ASN 483.A OD1 no hydrogen 3.230 N/A ASN 483.A N THR 481.A OG1 no hydrogen 2.932 N/A ASN 483.A ND2 TRP 363.A O no hydrogen 2.731 N/A ASN 483.A ND2 GLN 365.A O no hydrogen 2.913 N/A LEU 486.A N ASN 483.A O no hydrogen 3.092 N/A HIS 487.A N SER 470.A O no hydrogen 2.896 N/A VAL 488.A N GLU 368.A OE1 no hydrogen 3.032 N/A GLN 489.A N GLU 468.A O.A no hydrogen 2.945 N/A GLN 489.A N GLU 468.A O.B no hydrogen 2.963 N/A VAL 491.A N ASP 466.A O.A no hydrogen 2.895 N/A VAL 491.A N ASP 466.A O.B no hydrogen 2.944 N/A SER 494.A N VAL 463.A O no hydrogen 2.848 N/A GLN 495.A NE2 GLN 459.A O no hydrogen 3.198 N/A GLN 495.A NE2 PHE 461.A O no hydrogen 3.055 N/A ASP 496.A N SER 494.A OG no hydrogen 2.894 N/A VAL 499.A N ASP 496.A OD1 no hydrogen 3.049 N/A THR 500.A N ASP 496.A O no hydrogen 2.966 N/A THR 500.A OG1 ASP 496.A O no hydrogen 2.747 N/A ALA 501.A N VAL 497.A O no hydrogen 3.005 N/A ALA 502.A N GLY 498.A O no hydrogen 3.067 N/A LEU 503.A N VAL 499.A O no hydrogen 2.912 N/A ALA 504.A N THR 500.A O no hydrogen 2.912 N/A LYS 505.A N ALA 501.A O no hydrogen 2.949 N/A LYS 505.A NZ GLU 421.A OE1 no hydrogen 3.065 N/A LYS 505.A NZ GLU 421.A OE2 no hydrogen 2.832 N/A LYS 505.A NZ GLU 623.A OE1 no hydrogen 2.763 N/A LYS 505.A NZ THR 626.A OG1 no hydrogen 2.806 N/A THR 506.A N ALA 502.A O no hydrogen 2.928 N/A THR 506.A OG1 ALA 502.A O no hydrogen 2.869 N/A LEU 507.A N LEU 503.A O no hydrogen 3.039 N/A MET 508.A N ALA 504.A O no hydrogen 2.956 N/A TYR 509.A N LYS 505.A O no hydrogen 2.921 N/A TYR 510.A N THR 506.A O no hydrogen 3.124 N/A TYR 510.A OH ASP 440.A OD1 no hydrogen 2.691 N/A ALA 511.A N LEU 507.A O no hydrogen 2.816 N/A LYS 512.A N MET 508.A O no hydrogen 2.832 N/A LYS 512.A NZ LEU 634.A O no hydrogen 2.786 N/A ARG 513.A N TYR 509.A O no hydrogen 3.336 N/A ARG 513.A NH1 TYR 428.A O no hydrogen 2.919 N/A SER 514.A N TYR 510.A O no hydrogen 2.854 N/A SER 514.A OG TYR 510.A O no hydrogen 2.583 N/A GLY 515.A N ALA 511.A O no hydrogen 2.760 N/A ASP 516.A N SER 514.A OG no hydrogen 3.049 N/A ALA 519.A N ASP 516.A OD2 no hydrogen 2.857 N/A LEU 520.A N ASP 516.A O no hydrogen 3.406 N/A ALA 521.A N THR 517.A O no hydrogen 2.992 N/A THR 522.A N THR 518.A O no hydrogen 3.020 N/A THR 522.A OG1 THR 518.A O no hydrogen 3.033 N/A ALA 523.A N ALA 519.A O no hydrogen 3.017 N/A GLU 524.A N LEU 520.A O no hydrogen 2.847 N/A GLY 525.A N ALA 521.A O no hydrogen 3.078 N/A LEU 526.A N THR 522.A O no hydrogen 2.942 N/A LEU 527.A N ALA 523.A O no hydrogen 2.947 N/A ASP 528.A N GLU 524.A O no hydrogen 3.018 N/A ALA 529.A N GLY 525.A O no hydrogen 3.002 N/A LEU 530.A N LEU 526.A O no hydrogen 2.926 N/A LEU 531.A N LEU 527.A O no hydrogen 3.042 N/A ALA 532.A N ASP 528.A O no hydrogen 3.029 N/A ALA 532.A N ALA 529.A O no hydrogen 3.141 N/A HIS 533.A N.A LEU 530.A O no hydrogen 3.082 N/A HIS 533.A N.B LEU 530.A O no hydrogen 3.096 N/A HIS 533.A ND1.B ALA 529.A O no hydrogen 2.872 N/A HIS 533.A NE2.B GLN 459.A O no hydrogen 3.056 N/A ARG 534.A NE LEU 531.A O no hydrogen 2.889 N/A ARG 534.A NH1 GLU 8.A OE1 no hydrogen 3.061 N/A ARG 534.A NH2 LEU 531.A O no hydrogen 3.567 N/A ASP 535.A N GLY 538.A O no hydrogen 2.903 N/A ILE 537.A N ASP 535.A OD1 no hydrogen 3.032 N/A GLY 538.A N ASP 535.A OD1 no hydrogen 2.746 N/A ILE 539.A N GLN 621.A OE1 no hydrogen 2.943 N/A ALA 540.A N HIS 533.A O.A no hydrogen 3.050 N/A ALA 540.A N HIS 533.A O.B no hydrogen 3.043 N/A THR 541.A OG1 GLN 495.A O no hydrogen 2.655 N/A GLU 543.A N VAL 613.A O no hydrogen 2.888 N/A GLN 544.A NE2 ALA 610.A O no hydrogen 2.844 N/A ARG 549.A NH1 ASP 406.A OD2 no hydrogen 2.866 N/A ARG 549.A NH2 ASP 406.A OD1 no hydrogen 2.985 N/A LEU 550.A N.A TRP 547.A O no hydrogen 3.103 N/A LEU 550.A N.B TRP 547.A O no hydrogen 3.080 N/A ASP 552.A N ARG 549.A O no hydrogen 3.313 N/A ASP 555.A N GLU 558.A O no hydrogen 2.929 N/A SER 557.A N ASP 555.A OD1 no hydrogen 2.857 N/A SER 557.A OG ASP 555.A OD1 no hydrogen 3.327 N/A GLU 558.A N ASP 555.A OD1 no hydrogen 2.851 N/A GLY 559.A N GLU 185.A OE2 no hydrogen 2.963 N/A LEU 560.A N ASP 552.A O no hydrogen 3.483 N/A TRP 566.A N PRO 563.A O no hydrogen 2.962 N/A TRP 566.A NE1 ASP 205.A OD1 no hydrogen 2.880 N/A GLY 568.A N ILE 576.A O no hydrogen 3.131 N/A THR 569.A N GLY 198.A O no hydrogen 2.977 N/A MET 570.A N ASP 574.A O no hydrogen 2.846 N/A ASN 572.A ND2 ASP 574.A OD2 no hydrogen 3.025 N/A GLY 573.A N MET 570.A O no hydrogen 2.845 N/A ASP 574.A N ASN 572.A OD1 no hydrogen 2.905 N/A ILE 576.A N GLY 568.A O no hydrogen 2.770 N/A ALA 580.A N GLU 577.A O no hydrogen 2.908 N/A THR 581.A N SER 584.A OG no hydrogen 2.892 N/A LEU 583.A N LEU 550.A O.A no hydrogen 3.099 N/A LEU 583.A N LEU 550.A O.B no hydrogen 3.091 N/A SER 584.A N THR 581.A OG1 no hydrogen 2.851 N/A SER 584.A OG THR 581.A O no hydrogen 3.372 N/A ILE 585.A N THR 581.A O no hydrogen 3.249 N/A ARG 586.A N LEU 583.A O no hydrogen 2.893 N/A ARG 586.A NE ASP 43.A OD2 no hydrogen 3.129 N/A ARG 586.A NE TYR 156.A OH no hydrogen 2.937 N/A ARG 586.A NH1 PHE 582.A O no hydrogen 3.027 N/A ARG 586.A NH2 ASP 43.A OD2 no hydrogen 2.959 N/A ARG 586.A NH2 THR 186.A O no hydrogen 3.224 N/A SER 587.A N ASP 574.A OD2 no hydrogen 2.879 N/A SER 587.A OG ASP 574.A OD1 no hydrogen 2.531 N/A SER 587.A OG ASP 574.A OD2 no hydrogen 3.147 N/A TYR 589.A N ARG 586.A O no hydrogen 2.949 N/A TYR 589.A OH ASP 43.A O no hydrogen 2.690 N/A LYS 590.A N SER 587.A O no hydrogen 3.105 N/A ASN 591.A N PHE 588.A O no hydrogen 3.034 N/A ASN 591.A ND2 PHE 588.A O no hydrogen 3.509 N/A ASP 592.A N TYR 589.A O no hydrogen 3.023 N/A LEU 594.A N ASP 592.A OD1 no hydrogen 2.794 N/A TRP 595.A N ASP 592.A O no hydrogen 3.015 N/A VAL 598.A N LEU 594.A O no hydrogen 3.119 N/A GLU 599.A N TRP 595.A O no hydrogen 2.792 N/A ALA 600.A N PRO 596.A O no hydrogen 2.923 N/A HIS 601.A N GLN 597.A O no hydrogen 3.038 N/A HIS 601.A ND1 VAL 608.A O no hydrogen 2.682 N/A LEU 602.A N VAL 598.A O no hydrogen 2.936 N/A ASN 603.A N GLU 599.A O no hydrogen 2.690 N/A ASP 604.A N HIS 601.A O no hydrogen 3.002 N/A ASN 607.A N ASP 604.A O no hydrogen 3.015 N/A ASN 607.A ND2 ASP 604.A OD1 no hydrogen 2.888 N/A VAL 608.A N ASP 604.A O no hydrogen 2.854 N/A VAL 613.A N GLU 543.A O no hydrogen 2.833 N/A ARG 615.A NH1 GLU 543.A OE2 no hydrogen 2.935 N/A ARG 615.A NH2 MET 37.A O.A no hydrogen 2.966 N/A ARG 615.A NH2 MET 37.A O.B no hydrogen 2.955 N/A HIS 616.A N GLU 35.A OE1 no hydrogen 2.812 N/A HIS 616.A ND1 GLU 35.A OE2 no hydrogen 2.758 N/A HIS 616.A NE2 ASP 535.A OD2 no hydrogen 2.662 N/A ARG 617.A NE GLU 40.A OE1 no hydrogen 3.434 N/A ARG 617.A NE GLU 40.A OE2 no hydrogen 2.948 N/A ARG 617.A NH1 GLU 543.A OE1 no hydrogen 2.990 N/A ARG 617.A NH2 GLU 40.A OE1 no hydrogen 2.847 N/A ARG 617.A NH2 GLU 543.A OE2 no hydrogen 2.843 N/A PHE 618.A N HIS 32.A O no hydrogen 2.842 N/A GLN 621.A N ARG 617.A O no hydrogen 2.969 N/A GLN 621.A NE2 ILE 539.A O no hydrogen 2.819 N/A VAL 622.A N PHE 618.A O no hydrogen 2.942 N/A GLU 623.A N TRP 619.A O no hydrogen 2.857 N/A ILE 624.A N ALA 620.A O no hydrogen 2.976 N/A ALA 625.A N GLN 621.A O no hydrogen 3.123 N/A THR 626.A N VAL 622.A O no hydrogen 2.805 N/A THR 626.A OG1 GLU 623.A O no hydrogen 2.813 N/A ALA 627.A N GLU 623.A O no hydrogen 2.970 N/A PHE 628.A N ILE 624.A O no hydrogen 3.067 N/A ALA 629.A N ALA 625.A O no hydrogen 3.001 N/A ALA 630.A N THR 626.A O no hydrogen 2.768 N/A HIS 631.A N ALA 627.A O no hydrogen 3.078 N/A HIS 631.A ND1 ASP 632.A OD1 no hydrogen 2.802 N/A GLU 633.A N ALA 629.A O no hydrogen 3.084 N/A LEU 634.A N ALA 630.A O no hydrogen 2.925 N/A PHE 635.A N HIS 631.A O no hydrogen 2.802 N/A GLY 636.A N ASP 632.A O no hydrogen 2.802 N/A