Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7u69_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG ASN 126.A OD1 no hydrogen 2.889 N/A SER 5.A OG LEU 323.A O no hydrogen 3.087 N/A ALA 6.A N ASN 126.A O no hydrogen 2.930 N/A LEU 7.A N LYS 50.A O no hydrogen 3.067 N/A ILE 8.A N MET 128.A O no hydrogen 2.942 N/A GLU 12.A N ASP 10.A OD1 no hydrogen 3.008 N/A MET 13.A N ASP 10.A O no hydrogen 3.092 N/A SER 14.A N GLU 11.A O no hydrogen 3.212 N/A SER 14.A OG GLU 11.A O no hydrogen 2.823 N/A ARG 15.A N GLU 12.A O no hydrogen 2.823 N/A GLU 24.A N ASP 22.A OD1 no hydrogen 3.194 N/A CYS 25.A N ASP 22.A O no hydrogen 3.059 N/A CYS 25.A SG ASP 22.A OD2 no hydrogen 3.412 N/A GLU 28.A N CYS 25.A O no hydrogen 3.200 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.598 N/A ARG 32.A N VAL 29.A O no hydrogen 3.394 N/A ARG 32.A NE GLU 28.A OE2 no hydrogen 2.979 N/A ARG 32.A NH1 GLU 304.A O no hydrogen 3.415 N/A ARG 32.A NH1 GLY 306.A O no hydrogen 3.300 N/A ARG 32.A NH2 GLU 28.A OE2 no hydrogen 2.487 N/A LEU 33.A N PRO 30.A O no hydrogen 3.121 N/A THR 34.A N PRO 30.A O no hydrogen 3.417 N/A VAL 35.A N GLU 31.A O no hydrogen 2.696 N/A SER 36.A N ARG 32.A O no hydrogen 3.163 N/A SER 36.A OG ARG 32.A O no hydrogen 2.307 N/A TYR 37.A N LEU 33.A O no hydrogen 2.956 N/A GLU 38.A N THR 34.A O no hydrogen 2.852 N/A ALA 39.A N VAL 35.A O no hydrogen 2.889 N/A LEU 40.A N SER 36.A O no hydrogen 3.171 N/A ARG 41.A N TYR 37.A O no hydrogen 2.960 N/A THR 42.A N GLU 38.A O no hydrogen 2.914 N/A THR 42.A OG1 GLU 38.A O no hydrogen 3.026 N/A HIS 43.A N ALA 39.A O no hydrogen 3.097 N/A GLY 44.A N ARG 41.A O no hydrogen 2.904 N/A LEU 45.A N LEU 40.A O no hydrogen 2.872 N/A ALA 46.A N LEU 40.A O no hydrogen 3.142 N/A GLN 47.A N GLN 47.A OE1 no hydrogen 2.577 N/A GLN 47.A NE2 ARG 41.A O no hydrogen 3.257 N/A ARG 48.A N LEU 45.A O no hydrogen 3.131 N/A ARG 48.A NH1 ASP 326.A OD1 no hydrogen 3.047 N/A ARG 48.A NH2 ASP 326.A OD1 no hydrogen 2.937 N/A ARG 48.A NH2 ASP 326.A OD2 no hydrogen 2.378 N/A CYS 49.A N ALA 46.A O no hydrogen 2.797 N/A CYS 49.A SG LEU 45.A O no hydrogen 3.291 N/A LYS 50.A N SER 5.A O no hydrogen 3.029 N/A ARG 55.A NE GLN 114.A OE1 no hydrogen 3.207 N/A ARG 55.A NH1 GLN 56.A O no hydrogen 3.079 N/A ARG 55.A NH1 GLU 61.A OE1 no hydrogen 2.998 N/A ARG 55.A NH1 GLU 61.A OE2 no hydrogen 3.476 N/A ARG 55.A NH2 GLU 61.A OE2 no hydrogen 2.990 N/A ALA 57.A N LYS 106.A O no hydrogen 2.950 N/A THR 58.A N GLU 61.A OE1 no hydrogen 2.854 N/A GLU 61.A N THR 58.A OG1 no hydrogen 3.228 N/A ILE 62.A N THR 58.A O no hydrogen 2.921 N/A LEU 63.A N GLU 59.A O no hydrogen 3.029 N/A LEU 64.A N GLU 61.A O no hydrogen 2.958 N/A ALA 65.A N ILE 62.A O no hydrogen 3.233 N/A HIS 66.A N ILE 62.A O no hydrogen 3.108 N/A SER 67.A N ARG 140.A O.A no hydrogen 2.908 N/A SER 67.A N ARG 140.A O.B no hydrogen 2.925 N/A SER 67.A OG GLU 69.A OE2 no hydrogen 3.507 N/A SER 67.A OG SER 141.A OG no hydrogen 2.683 N/A TYR 70.A OH VAL 148.A O no hydrogen 2.857 N/A LEU 71.A N SER 67.A O no hydrogen 3.010 N/A GLU 72.A N GLU 68.A O no hydrogen 2.805 N/A ALA 73.A N GLU 69.A O no hydrogen 3.060 N/A VAL 74.A N TYR 70.A O no hydrogen 2.969 N/A LYS 75.A N LEU 71.A O no hydrogen 2.863 N/A GLN 76.A N ALA 73.A O no hydrogen 3.183 N/A GLN 76.A NE2 GLU 72.A O no hydrogen 3.038 N/A THR 77.A N VAL 74.A O no hydrogen 2.916 N/A THR 77.A OG1 VAL 74.A O no hydrogen 2.584 N/A GLY 79.A N GLN 76.A O no hydrogen 3.234 N/A MET 80.A N THR 77.A O no hydrogen 2.945 N/A ASN 81.A N GLU 84.A OE1 no hydrogen 3.221 N/A GLU 84.A N ASN 81.A OD1 no hydrogen 2.838 N/A LEU 85.A N ASN 81.A O no hydrogen 2.796 N/A MET 86.A N VAL 82.A O no hydrogen 2.911 N/A ALA 87.A N GLU 83.A O no hydrogen 3.079 N/A PHE 88.A N GLU 84.A O no hydrogen 3.035 N/A SER 89.A N LEU 85.A O no hydrogen 2.860 N/A SER 89.A OG LEU 85.A O no hydrogen 2.877 N/A LYS 90.A N MET 86.A O no hydrogen 2.946 N/A LYS 91.A N PHE 88.A O no hydrogen 3.355 N/A LYS 91.A NZ TYR 92.A OH no hydrogen 3.450 N/A TYR 92.A N SER 89.A O no hydrogen 3.011 N/A TYR 96.A OH GLU 28.A O no hydrogen 2.818 N/A TYR 96.A OH GLU 28.A OE1 no hydrogen 2.782 N/A PHE 97.A N SER 89.A OG no hydrogen 2.953 N/A ASN 100.A N HIS 98.A ND1 no hydrogen 2.952 N/A ASN 100.A ND2 GLU 12.A OE2 no hydrogen 2.883 N/A ASN 100.A ND2 ARG 15.A O no hydrogen 2.979 N/A ILE 101.A N HIS 98.A O no hydrogen 2.899 N/A HIS 103.A ND1 ASN 100.A OD1 no hydrogen 2.906 N/A CYS 104.A N ASN 100.A O no hydrogen 2.995 N/A CYS 104.A SG GLU 12.A O no hydrogen 3.338 N/A CYS 104.A SG ASN 100.A O no hydrogen 3.346 N/A ALA 105.A N ILE 101.A O no hydrogen 2.739 N/A LYS 106.A N TYR 102.A O no hydrogen 3.011 N/A LYS 106.A NZ GLN 56.A OE1 no hydrogen 2.764 N/A LEU 107.A N HIS 103.A O no hydrogen 2.993 N/A ALA 108.A N CYS 104.A O no hydrogen 2.687 N/A ALA 109.A N ALA 105.A O no hydrogen 2.983 N/A GLY 110.A N LYS 106.A O no hydrogen 2.768 N/A ALA 111.A N LEU 107.A O no hydrogen 2.702 N/A THR 112.A N ALA 108.A O no hydrogen 3.317 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.936 N/A LEU 113.A N ALA 109.A O no hydrogen 3.137 N/A GLN 114.A N GLY 110.A O no hydrogen 2.716 N/A GLN 114.A NE2 PRO 53.A O no hydrogen 2.851 N/A LEU 115.A N ALA 111.A O no hydrogen 2.841 N/A VAL 116.A N THR 112.A O no hydrogen 2.858 N/A ASP 117.A N LEU 113.A O no hydrogen 2.772 N/A SER 118.A N GLN 114.A O no hydrogen 2.980 N/A SER 118.A OG GLN 114.A O no hydrogen 2.799 N/A VAL 119.A N LEU 115.A O no hydrogen 3.081 N/A MET 120.A N VAL 116.A O no hydrogen 2.919 N/A LYS 121.A N ASP 117.A O no hydrogen 2.866 N/A LYS 121.A NZ TYR 163.A OH no hydrogen 3.143 N/A ARG 122.A N VAL 119.A O no hydrogen 3.161 N/A GLU 123.A N SER 118.A O no hydrogen 2.976 N/A VAL 124.A N SER 118.A O no hydrogen 3.244 N/A ARG 125.A N GLY 4.A O no hydrogen 2.871 N/A ARG 125.A NE ALA 2.A O no hydrogen 3.333 N/A ARG 125.A NH1 GLY 598.A O no hydrogen 2.717 N/A ASN 126.A ND2 LEU 323.A O no hydrogen 3.251 N/A GLY 127.A N MET 299.A O no hydrogen 3.047 N/A MET 128.A N ALA 6.A O no hydrogen 2.954 N/A ALA 129.A N VAL 301.A O no hydrogen 2.915 N/A LEU 130.A N ILE 8.A O no hydrogen 2.964 N/A ARG 132.A NE MET 13.A O no hydrogen 3.189 N/A ARG 132.A NH1 GLU 28.A OE2 no hydrogen 3.494 N/A ARG 132.A NH1 TYR 96.A OH no hydrogen 3.442 N/A ARG 132.A NH2 MET 13.A O no hydrogen 3.279 N/A ARG 132.A NH2 TYR 16.A O no hydrogen 2.333 N/A GLY 135.A N GLU 304.A OE1 no hydrogen 2.854 N/A HIS 136.A N GLU 304.A OE1 no hydrogen 2.989 N/A HIS 136.A ND1 ASP 172.A OD1 no hydrogen 2.781 N/A HIS 137.A ND1 GLN 179.A OE1 no hydrogen 2.872 N/A SER 138.A N GLY 135.A O no hydrogen 2.773 N/A SER 138.A OG VAL 148.A O no hydrogen 2.706 N/A GLN 139.A N ALA 142.A O no hydrogen 3.017 N/A SER 141.A OG SER 67.A OG no hydrogen 2.683 N/A ALA 142.A N GLN 139.A O no hydrogen 3.224 N/A ASN 144.A N CYS 147.A O no hydrogen 3.106 N/A GLY 145.A N ASN 93.A O no hydrogen 2.959 N/A PHE 146.A N ALA 94.A O no hydrogen 2.832 N/A CYS 147.A N ASN 144.A O no hydrogen 2.951 N/A CYS 147.A SG GLY 145.A O no hydrogen 3.216 N/A ASN 150.A N HIS 66.A NE2 no hydrogen 3.156 N/A ASN 150.A ND2 HIS 136.A O no hydrogen 3.227 N/A ASN 150.A ND2 SER 138.A O no hydrogen 2.938 N/A ASN 151.A N PHE 149.A O no hydrogen 3.097 N/A ALA 153.A N ASN 150.A OD1 no hydrogen 3.052 N/A PHE 154.A N ASN 150.A O no hydrogen 2.913 N/A ALA 155.A N ASN 151.A O no hydrogen 3.039 N/A ALA 156.A N VAL 152.A O no hydrogen 3.198 N/A LEU 157.A N ALA 153.A O no hydrogen 2.887 N/A TYR 158.A N PHE 154.A O no hydrogen 2.659 N/A TYR 158.A OH ASP 117.A OD1 no hydrogen 3.313 N/A TYR 158.A OH ASP 117.A OD2 no hydrogen 2.548 N/A ALA 159.A N ALA 155.A O no hydrogen 2.940 N/A LYS 160.A N ALA 156.A O no hydrogen 2.918 N/A LYS 160.A NZ ASP 188.A OD2 no hydrogen 2.998 N/A LYS 160.A NZ SER 190.A OG no hydrogen 3.315 N/A LYS 161.A N LEU 157.A O no hydrogen 2.901 N/A LYS 161.A NZ ASN 162.A OD1 no hydrogen 3.044 N/A ASN 162.A N TYR 158.A O no hydrogen 2.812 N/A TYR 163.A N ALA 159.A O no hydrogen 2.985 N/A TYR 163.A OH ASP 117.A OD1 no hydrogen 2.536 N/A ASN 164.A N LYS 160.A O no hydrogen 3.023 N/A ASN 166.A N GLU 258.A OE2 no hydrogen 2.787 N/A ARG 167.A N GLU 258.A OE2 no hydrogen 3.086 N/A ARG 167.A NE PHE 255.A O no hydrogen 2.999 N/A ARG 167.A NE ASP 256.A O no hydrogen 2.789 N/A ARG 167.A NH2 ASP 256.A O no hydrogen 3.173 N/A ARG 167.A NH2 ASP 256.A OD2 no hydrogen 3.413 N/A ILE 168.A N SER 190.A O no hydrogen 2.845 N/A LEU 169.A N LEU 259.A O no hydrogen 2.991 N/A ILE 170.A N LEU 192.A O no hydrogen 2.735 N/A VAL 171.A N ILE 261.A O no hydrogen 2.818 N/A ASP 172.A N PHE 194.A O no hydrogen 2.840 N/A TRP 173.A N SER 263.A O no hydrogen 2.990 N/A ASP 174.A N ASP 172.A OD2 no hydrogen 3.249 N/A VAL 175.A N ASP 267.A OD1 no hydrogen 2.820 N/A HIS 176.A N ASP 174.A OD2 no hydrogen 2.853 N/A HIS 176.A ND1 ASP 174.A OD2 no hydrogen 3.239 N/A HIS 176.A ND1 ASP 267.A OD2 no hydrogen 3.064 N/A HIS 176.A NE2 GLU 274.A OE2 no hydrogen 2.827 N/A HIS 177.A NE2 GLN 182.A OE1 no hydrogen 3.102 N/A HIS 177.A NE2 ASN 227.A OD1 no hydrogen 3.101 N/A GLN 179.A N HIS 177.A O no hydrogen 2.906 N/A GLN 179.A N GLN 179.A OE1 no hydrogen 2.642 N/A GLN 179.A NE2 ASN 144.A OD1 no hydrogen 3.125 N/A GLN 182.A N GLY 178.A O no hydrogen 3.283 N/A GLN 182.A NE2 GLU 210.A O no hydrogen 3.004 N/A TYR 183.A N GLN 179.A O no hydrogen 2.848 N/A TYR 183.A OH GLU 210.A OE2 no hydrogen 2.792 N/A CYS 184.A N GLY 180.A O no hydrogen 3.040 N/A PHE 185.A N ILE 181.A O no hydrogen 3.068 N/A PHE 185.A N GLN 182.A O no hydrogen 3.271 N/A ASP 188.A N PHE 185.A O no hydrogen 2.857 N/A SER 190.A N ASP 188.A OD1 no hydrogen 2.993 N/A SER 190.A OG ASP 188.A OD1 no hydrogen 2.500 N/A SER 190.A OG ASP 188.A OD2 no hydrogen 3.050 N/A VAL 191.A N ASP 188.A O no hydrogen 3.451 N/A LEU 192.A N ILE 168.A O no hydrogen 2.807 N/A TYR 193.A N PHE 224.A O no hydrogen 2.995 N/A TYR 193.A OH ASP 172.A OD1 no hydrogen 2.660 N/A PHE 194.A N ILE 170.A O no hydrogen 2.929 N/A SER 195.A N ILE 226.A O no hydrogen 3.055 N/A SER 195.A OG TRP 196.A O no hydrogen 3.223 N/A SER 195.A OG HIS 197.A ND1 no hydrogen 2.666 N/A TRP 196.A NE1 TRP 173.A O no hydrogen 3.094 N/A HIS 197.A N LEU 228.A O no hydrogen 3.211 N/A HIS 197.A ND1 SER 195.A OG no hydrogen 2.666 N/A HIS 197.A NE2 SER 211.A O no hydrogen 2.856 N/A ARG 198.A N VAL 175.A O no hydrogen 2.789 N/A ARG 198.A NE GLU 200.A OE1 no hydrogen 3.181 N/A ARG 198.A NH1 GLY 275.A O no hydrogen 3.528 N/A ARG 198.A NH2 GLU 200.A OE1 no hydrogen 3.230 N/A TYR 199.A N TRP 230.A O no hydrogen 2.880 N/A TYR 199.A OH LEU 208.A O no hydrogen 2.950 N/A GLU 200.A N TRP 230.A O no hydrogen 2.992 N/A HIS 201.A N ASN 231.A OD1 no hydrogen 2.721 N/A GLN 202.A NE2 ASN 207.A O no hydrogen 3.104 N/A SER 203.A N GLU 200.A O no hydrogen 2.930 N/A SER 203.A OG GLU 200.A O no hydrogen 2.920 N/A PHE 204.A N TYR 199.A O no hydrogen 3.065 N/A TRP 205.A NE1 ASN 93.A OD1 no hydrogen 2.439 N/A ASN 207.A N PHE 204.A O no hydrogen 3.065 N/A ASN 207.A ND2 GLN 202.A O no hydrogen 3.295 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.602 N/A SER 211.A N LEU 208.A O no hydrogen 3.035 N/A SER 211.A OG HIS 177.A ND1 no hydrogen 2.649 N/A ASP 212.A N PRO 209.A O no hydrogen 3.171 N/A TYR 213.A N ASP 212.A OD1 no hydrogen 2.861 N/A SER 215.A N ASP 212.A O no hydrogen 3.253 N/A SER 215.A OG GLU 210.A O no hydrogen 3.011 N/A LYS 218.A N GLU 186.A O no hydrogen 2.857 N/A GLY 221.A N LYS 218.A O no hydrogen 3.051 N/A SER 222.A N GLY 219.A O no hydrogen 3.033 N/A SER 222.A OG GLY 219.A O no hydrogen 2.839 N/A GLY 223.A N VAL 216.A O no hydrogen 2.412 N/A PHE 224.A N GLY 221.A O no hydrogen 3.100 N/A ASN 225.A N VAL 216.A O no hydrogen 3.367 N/A ASN 225.A ND2 GLN 182.A OE1 no hydrogen 2.763 N/A ASN 225.A ND2 SER 215.A O no hydrogen 3.066 N/A ASN 225.A ND2 ASN 227.A OD1 no hydrogen 3.340 N/A ILE 226.A N TYR 193.A O no hydrogen 2.923 N/A ASN 227.A ND2 GLN 182.A OE1 no hydrogen 2.982 N/A ASN 227.A ND2 ASP 212.A O no hydrogen 3.249 N/A LEU 228.A N SER 195.A O no hydrogen 2.960 N/A TRP 230.A N HIS 197.A O no hydrogen 2.716 N/A GLY 234.A N GLU 276.A O no hydrogen 3.024 N/A THR 236.A N ASP 239.A OD2 no hydrogen 2.714 N/A THR 236.A OG1 ASP 239.A OD2 no hydrogen 3.015 N/A SER 238.A OG GLY 335.A O no hydrogen 3.557 N/A TYR 240.A N THR 236.A O no hydrogen 3.105 N/A TYR 240.A OH SER 268.A O no hydrogen 2.660 N/A LEU 241.A N ASN 237.A O no hydrogen 2.787 N/A ALA 242.A N SER 238.A O no hydrogen 2.806 N/A ALA 243.A N ASP 239.A O no hydrogen 2.878 N/A PHE 244.A N TYR 240.A O no hydrogen 3.086 N/A PHE 245.A N LEU 241.A O no hydrogen 2.813 N/A HIS 246.A N ALA 242.A O no hydrogen 2.954 N/A HIS 246.A NE2 LEU 631.A O no hydrogen 2.980 N/A VAL 247.A N ALA 243.A O no hydrogen 2.880 N/A LEU 248.A N ALA 243.A O no hydrogen 3.003 N/A LEU 249.A N PHE 244.A O no hydrogen 2.824 N/A VAL 251.A N VAL 247.A O no hydrogen 3.400 N/A ALA 252.A N LEU 248.A O no hydrogen 2.772 N/A TYR 253.A N LEU 249.A O no hydrogen 2.988 N/A TYR 253.A OH LEU 290.A O no hydrogen 2.884 N/A GLU 254.A N PRO 250.A O no hydrogen 3.362 N/A PHE 255.A N VAL 251.A O no hydrogen 2.971 N/A ASP 256.A N ALA 252.A O no hydrogen 2.982 N/A GLU 258.A N ARG 167.A O no hydrogen 2.699 N/A VAL 260.A N LYS 298.A O no hydrogen 3.060 N/A ILE 261.A N LEU 169.A O no hydrogen 2.810 N/A VAL 262.A N CYS 300.A O no hydrogen 2.791 N/A SER 263.A N VAL 171.A O no hydrogen 2.678 N/A SER 263.A OG GLU 304.A OE2 no hydrogen 2.920 N/A ALA 264.A N VAL 302.A O no hydrogen 2.831 N/A PHE 266.A N GLY 305.A O no hydrogen 2.702 N/A SER 268.A OG TRP 173.A O no hydrogen 2.949 N/A ALA 269.A N PHE 266.A O no hydrogen 2.993 N/A ILE 270.A N ALA 279.A O no hydrogen 2.635 N/A ASP 272.A N ALA 269.A O no hydrogen 3.285 N/A GLU 274.A N ASP 272.A OD1 no hydrogen 2.810 N/A GLY 275.A N ASP 272.A OD1 no hydrogen 3.364 N/A GLU 276.A N ASP 272.A O no hydrogen 2.965 N/A CYS 278.A N MET 235.A O no hydrogen 2.794 N/A LEU 280.A N ASN 237.A OD1 no hydrogen 2.960 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.560 N/A ILE 283.A N LEU 280.A O no hydrogen 2.898 N/A PHE 284.A N PRO 281.A O no hydrogen 2.995 N/A ALA 285.A N GLU 282.A O no hydrogen 2.995 N/A HIS 286.A N ILE 283.A O no hydrogen 2.955 N/A HIS 286.A ND1 TYR 541.A OH no hydrogen 2.843 N/A HIS 286.A NE2 PRO 329.A O no hydrogen 2.636 N/A LEU 287.A N ILE 283.A O no hydrogen 2.858 N/A THR 288.A N PHE 284.A O no hydrogen 3.067 N/A THR 288.A OG1 PHE 284.A O no hydrogen 2.951 N/A HIS 289.A N ALA 285.A O no hydrogen 3.103 N/A HIS 289.A NE2 LEU 568.A O no hydrogen 3.214 N/A LEU 290.A N HIS 286.A O no hydrogen 2.713 N/A LEU 291.A N THR 288.A O no hydrogen 3.023 N/A MET 292.A N HIS 289.A O no hydrogen 3.219 N/A LEU 294.A N LEU 291.A O no hydrogen 3.077 N/A GLY 297.A N LEU 294.A O no hydrogen 2.885 N/A LYS 298.A N ALA 295.A O no hydrogen 2.902 N/A LYS 298.A NZ ALA 295.A O no hydrogen 3.179 N/A CYS 300.A N VAL 260.A O no hydrogen 2.811 N/A VAL 301.A N GLY 127.A O no hydrogen 2.938 N/A VAL 302.A N VAL 262.A O no hydrogen 2.883 N/A LEU 303.A N ALA 129.A O no hydrogen 3.062 N/A GLU 304.A N ALA 264.A O no hydrogen 2.977 N/A GLY 305.A N ASP 174.A OD1 no hydrogen 3.038 N/A TYR 307.A N ASP 272.A OD2 no hydrogen 2.732 N/A SER 311.A N ASN 308.A OD1 no hydrogen 2.794 N/A SER 311.A OG ASN 308.A O no hydrogen 3.382 N/A SER 311.A OG ASN 308.A OD1 no hydrogen 3.154 N/A LEU 312.A N ASN 308.A O no hydrogen 2.794 N/A GLY 313.A N LEU 309.A O no hydrogen 3.431 N/A GLN 314.A N THR 310.A O no hydrogen 3.257 N/A SER 315.A N SER 311.A O no hydrogen 3.109 N/A SER 315.A OG SER 311.A O no hydrogen 2.715 N/A VAL 316.A N LEU 312.A O no hydrogen 3.067 N/A CYS 317.A N GLY 313.A O no hydrogen 3.121 N/A CYS 317.A SG ALA 39.A O no hydrogen 3.563 N/A CYS 317.A SG GLY 313.A O no hydrogen 3.238 N/A GLN 318.A N GLN 314.A O no hydrogen 2.996 N/A THR 319.A N SER 315.A O no hydrogen 2.917 N/A THR 319.A OG1 SER 315.A O no hydrogen 2.811 N/A VAL 320.A N VAL 316.A O no hydrogen 2.920 N/A HIS 321.A N CYS 317.A O no hydrogen 2.734 N/A HIS 321.A ND1 ASP 326.A OD2 no hydrogen 2.463 N/A SER 322.A N GLN 318.A O no hydrogen 3.267 N/A SER 322.A OG ALA 285.A O no hydrogen 2.777 N/A LEU 323.A N THR 319.A O no hydrogen 2.895 N/A LEU 324.A N VAL 320.A O no hydrogen 2.742 N/A GLY 325.A N SER 322.A O no hydrogen 2.971 N/A ASP 326.A N HIS 321.A O no hydrogen 2.890 N/A THR 328.A OG1 GLN 570.A O no hydrogen 3.138 N/A THR 328.A OG1 GLY 571.A O no hydrogen 3.177 N/A ARG 330.A NH1 ASN 544.A OD1 no hydrogen 3.315 N/A GLY 335.A N SER 238.A OG no hydrogen 3.092 N/A THR 336.A OG1 ALA 337.A O no hydrogen 3.056 N/A THR 336.A OG1 GLY 630.A O no hydrogen 3.529 N/A CYS 338.A N ASP 239.A OD1 no hydrogen 2.879 N/A CYS 338.A SG ASP 239.A OD1 no hydrogen 3.788 N/A LEU 342.A N CYS 338.A O no hydrogen 2.910 N/A GLU 343.A N ASP 339.A O no hydrogen 2.900 N/A SER 344.A N SER 340.A O no hydrogen 3.027 N/A SER 344.A OG PRO 229.A O no hydrogen 2.600 N/A SER 344.A OG SER 340.A O no hydrogen 3.305 N/A ILE 345.A N ALA 341.A O no hydrogen 2.762 N/A GLN 346.A N LEU 342.A O no hydrogen 2.827 N/A ASN 347.A N GLU 343.A O no hydrogen 2.861 N/A VAL 348.A N SER 344.A O no hydrogen 2.969 N/A ARG 349.A N ILE 345.A O no hydrogen 2.984 N/A ARG 349.A NH1 HIS 246.A O no hydrogen 2.642 N/A ASN 350.A N GLN 346.A O no hydrogen 3.007 N/A VAL 351.A N ASN 347.A O no hydrogen 3.033 N/A GLN 352.A N VAL 348.A O no hydrogen 2.899 N/A GLN 352.A NE2 GLY 223.A O no hydrogen 3.652 N/A SER 353.A N ASN 350.A O no hydrogen 3.209 N/A SER 353.A OG ASN 350.A O no hydrogen 2.514 N/A TYR 355.A N GLN 352.A O no hydrogen 2.947 N/A TRP 356.A N GLN 352.A O no hydrogen 3.235 N/A TRP 356.A NE1 GLY 223.A O no hydrogen 2.782 N/A SER 357.A N GLU 254.A OE1 no hydrogen 3.005 N/A SER 357.A N GLU 254.A OE2 no hydrogen 3.302 N/A SER 357.A OG GLU 254.A OE2 no hydrogen 3.472 N/A SER 358.A OG GLN 530.A OE1 no hydrogen 3.316 N/A PHE 359.A N TRP 356.A O no hydrogen 3.244 N/A LYS 360.A N SER 357.A O no hydrogen 2.902 N/A LEU 362.A N PHE 359.A O no hydrogen 2.841 N/A ALA 363.A N LYS 360.A O no hydrogen 3.143 N/A THR 367.A N GLN 364.A O no hydrogen 2.715 N/A ASN 368.A N GLN 364.A O no hydrogen 3.035 N/A TRP 372.A NE1 GLN 314.A OE1 no hydrogen 3.024 N/A ARG 378.A NE PRO 327.A O no hydrogen 2.690 N/A ARG 378.A NH1 SER 322.A OG no hydrogen 2.913 N/A ARG 378.A NH1 ASP 326.A O no hydrogen 3.193 N/A ARG 378.A NH1 PRO 327.A O no hydrogen 3.286 N/A ARG 378.A NH2 GLN 318.A O no hydrogen 3.096 N/A ARG 378.A NH2 GLN 318.A OE1 no hydrogen 2.868 N/A VAL 383.A N GLU 447.A O no hydrogen 2.805 N/A ARG 384.A NE LEU 596.A O no hydrogen 2.804 N/A ARG 384.A NH2 LEU 596.A O no hydrogen 3.231 N/A THR 385.A N ASN 400.A O no hydrogen 3.278 N/A THR 385.A OG1 ASN 450.A OD1 no hydrogen 2.629 N/A VAL 386.A N ASN 450.A O no hydrogen 3.055 N/A VAL 387.A N GLN 402.A O no hydrogen 2.759 N/A VAL 388.A N CYS 452.A O no hydrogen 3.015 N/A VAL 393.A N PRO 390.A O no hydrogen 3.010 N/A ASN 400.A ND2 SER 597.A O no hydrogen 3.080 N/A CYS 401.A N PRO 398.A O no hydrogen 3.022 N/A CYS 401.A SG ASN 400.A OD1 no hydrogen 3.940 N/A GLN 402.A N THR 385.A O no hydrogen 3.200 N/A THR 409.A OG1 SER 406.A O no hydrogen 3.357 N/A ALA 410.A N SER 406.A O no hydrogen 3.044 N/A LYS 411.A N GLU 407.A O no hydrogen 2.827 N/A VAL 413.A N THR 409.A O no hydrogen 3.187 N/A ARG 415.A N LYS 411.A O no hydrogen 3.089 N/A ARG 415.A NE GLU 412.A OE2 no hydrogen 2.733 N/A ARG 415.A NH2 GLU 412.A OE1 no hydrogen 3.161 N/A ILE 416.A N GLU 412.A O no hydrogen 2.983 N/A ARG 417.A N VAL 413.A O no hydrogen 2.856 N/A ASP 418.A N GLN 414.A O no hydrogen 2.848 N/A LYS 419.A N ARG 415.A O no hydrogen 3.283 N/A LYS 419.A N ILE 416.A O no hydrogen 3.280 N/A HIS 420.A N ILE 416.A O no hydrogen 3.039 N/A PHE 421.A N ARG 417.A O no hydrogen 3.219 N/A ASN 427.A N ASP 425.A OD1 no hydrogen 3.105 N/A ILE 428.A N ASP 425.A OD1 no hydrogen 3.378 N/A LEU 429.A N ASP 425.A O no hydrogen 3.375 N/A ARG 430.A N ASN 427.A O no hydrogen 2.714 N/A SER 431.A N ASN 427.A O no hydrogen 2.916 N/A LEU 432.A N ILE 428.A O no hydrogen 2.913 N/A GLY 433.A N LEU 429.A O no hydrogen 3.253 N/A ASN 434.A N ARG 430.A O no hydrogen 2.810 N/A ILE 435.A N SER 431.A O no hydrogen 2.823 N/A ILE 436.A N LEU 432.A O no hydrogen 3.067 N/A SER 437.A N GLY 433.A O no hydrogen 2.896 N/A SER 437.A OG GLY 433.A O no hydrogen 2.269 N/A VAL 438.A N ASN 434.A O no hydrogen 2.725 N/A LEU 439.A N ILE 435.A O no hydrogen 2.780 N/A ASP 440.A N ILE 436.A O no hydrogen 2.847 N/A ARG 441.A N SER 437.A O no hydrogen 3.126 N/A MET 442.A N VAL 438.A O no hydrogen 2.832 N/A MET 443.A N LEU 439.A O no hydrogen 3.000 N/A ARG 444.A N ASP 440.A O no hydrogen 2.864 N/A SER 445.A N ARG 441.A O no hydrogen 3.363 N/A GLU 447.A N SER 445.A OG no hydrogen 2.529 N/A VAL 448.A N SER 445.A OG no hydrogen 3.294 N/A CYS 449.A N ARG 384.A O no hydrogen 3.080 N/A CYS 449.A SG ARG 574.A O no hydrogen 3.954 N/A ASN 450.A N ARG 384.A O no hydrogen 3.000 N/A ASN 450.A ND2 GLY 575.A O no hydrogen 3.382 N/A ASN 450.A ND2 LEU 596.A O no hydrogen 3.174 N/A GLY 451.A N MET 577.A O no hydrogen 3.226 N/A CYS 452.A N VAL 386.A O no hydrogen 2.870 N/A CYS 452.A SG THR 579.A O no hydrogen 3.563 N/A VAL 453.A N THR 579.A O no hydrogen 2.882 N/A VAL 454.A N VAL 388.A O no hydrogen 3.186 N/A VAL 455.A N LEU 581.A O no hydrogen 2.849 N/A VAL 460.A N ASP 457.A OD2 no hydrogen 2.735 N/A SER 461.A N ASP 457.A O no hydrogen 3.405 N/A VAL 462.A N LEU 458.A O no hydrogen 2.625 N/A GLN 463.A N SER 459.A O no hydrogen 2.892 N/A CYS 464.A N VAL 460.A O no hydrogen 3.122 N/A CYS 464.A SG VAL 460.A O no hydrogen 3.026 N/A ALA 465.A N SER 461.A O no hydrogen 2.932 N/A LEU 466.A N VAL 462.A O no hydrogen 2.769 N/A GLN 467.A N GLN 463.A O no hydrogen 2.718 N/A HIS 468.A N CYS 464.A O no hydrogen 2.714 N/A HIS 468.A NE2 ASP 440.A OD2 no hydrogen 2.885 N/A ALA 469.A N ALA 465.A O no hydrogen 3.064 N/A LEU 470.A N LEU 466.A O no hydrogen 2.919 N/A GLU 472.A N ALA 469.A O no hydrogen 3.329 N/A ALA 474.A N ALA 469.A O no hydrogen 2.928 N/A ARG 476.A NH1 PHE 543.A O no hydrogen 3.449 N/A ARG 476.A NH1 ASN 544.A O no hydrogen 2.604 N/A VAL 477.A N LYS 495.A O no hydrogen 2.907 N/A LEU 478.A N LEU 547.A O no hydrogen 2.911 N/A VAL 479.A N PHE 497.A O no hydrogen 2.964 N/A VAL 480.A N LEU 549.A O no hydrogen 2.813 N/A TYR 481.A N VAL 499.A O no hydrogen 2.823 N/A TYR 481.A OH ASP 484.A O no hydrogen 2.629 N/A TYR 481.A OH GLU 553.A OE2 no hydrogen 2.905 N/A VAL 482.A N ILE 551.A O no hydrogen 2.752 N/A GLY 483.A N ILE 501.A O no hydrogen 2.931 N/A ASP 484.A N GLU 553.A OE1 no hydrogen 2.826 N/A VAL 489.A N LEU 487.A O no hydrogen 2.609 N/A LYS 495.A N ASP 493.A OD2 no hydrogen 3.329 N/A PHE 497.A N VAL 477.A O no hydrogen 3.258 N/A LEU 498.A N ASN 512.A O no hydrogen 3.088 N/A VAL 499.A N VAL 479.A O no hydrogen 2.806 N/A GLN 500.A N LEU 514.A O no hydrogen 2.884 N/A GLN 500.A NE2 GLY 483.A O no hydrogen 3.207 N/A GLN 500.A NE2 GLY 485.A O no hydrogen 3.254 N/A ILE 501.A N TYR 481.A O no hydrogen 2.797 N/A CYS 502.A N LEU 516.A O no hydrogen 2.948 N/A CYS 502.A SG LYS 504.A O no hydrogen 3.558 N/A CYS 502.A SG LEU 516.A O no hydrogen 3.653 N/A THR 503.A N ASP 484.A OD2 no hydrogen 3.018 N/A THR 503.A OG1 ASP 484.A OD1 no hydrogen 2.602 N/A THR 503.A OG1 ASP 484.A OD2 no hydrogen 3.327 N/A ASN 512.A ND2 VAL 496.A O no hydrogen 3.147 N/A ARG 513.A NH2 VAL 489.A O no hydrogen 3.395 N/A LEU 514.A N LEU 498.A O no hydrogen 2.949 N/A THR 515.A N ASP 508.A OD1 no hydrogen 3.178 N/A THR 515.A OG1 ASP 508.A OD1 no hydrogen 2.690 N/A LEU 516.A N GLN 500.A O no hydrogen 2.909 N/A ARG 519.A N ASP 614.A OD1 no hydrogen 2.879 N/A LEU 524.A N GLY 521.A O no hydrogen 3.227 N/A GLY 527.A N SER 523.A O no hydrogen 3.270 N/A PHE 528.A N LEU 524.A O no hydrogen 3.168 N/A MET 529.A N THR 525.A O no hydrogen 3.185 N/A GLN 530.A N ALA 526.A O no hydrogen 2.941 N/A ALA 531.A N GLY 527.A O no hydrogen 3.071 N/A LEU 532.A N PHE 528.A O no hydrogen 2.856 N/A LEU 533.A N MET 529.A O no hydrogen 3.056 N/A GLY 534.A N GLN 530.A O no hydrogen 2.926 N/A LEU 535.A N ALA 531.A O no hydrogen 2.845 N/A ILE 536.A N ALA 531.A O no hydrogen 2.849 N/A LEU 537.A N LEU 532.A O no hydrogen 2.893 N/A VAL 539.A N LEU 535.A O no hydrogen 3.077 N/A ALA 540.A N ILE 536.A O no hydrogen 2.885 N/A TYR 541.A N LEU 537.A O no hydrogen 3.001 N/A TYR 541.A OH HIS 286.A ND1 no hydrogen 2.843 N/A GLU 542.A N PRO 538.A O no hydrogen 3.257 N/A PHE 543.A N VAL 539.A O no hydrogen 2.810 N/A ASN 544.A N ALA 540.A O no hydrogen 2.863 N/A ALA 546.A N ARG 476.A O no hydrogen 2.760 N/A LEU 547.A N ARG 476.A O no hydrogen 3.277 N/A VAL 548.A N ARG 576.A O no hydrogen 3.025 N/A LEU 549.A N LEU 478.A O no hydrogen 2.679 N/A GLY 550.A N LEU 578.A O no hydrogen 2.920 N/A ILE 551.A N VAL 480.A O no hydrogen 2.823 N/A VAL 552.A N LEU 580.A O no hydrogen 3.042 N/A GLU 553.A N VAL 482.A O no hydrogen 3.284 N/A GLU 554.A N GLN 582.A OE1 no hydrogen 3.121 N/A MET 559.A N THR 556.A O no hydrogen 3.381 N/A VAL 561.A N LEU 558.A O no hydrogen 2.868 N/A TRP 562.A N LEU 558.A O no hydrogen 3.028 N/A TRP 562.A NE1 THR 592.A OG1 no hydrogen 2.721 N/A MET 565.A N VAL 561.A O no hydrogen 3.178 N/A THR 566.A N TRP 562.A O no hydrogen 2.893 N/A THR 566.A OG1 TRP 562.A O no hydrogen 2.934 N/A CYS 567.A N GLY 563.A O no hydrogen 2.962 N/A LEU 568.A N HIS 564.A O no hydrogen 2.786 N/A ILE 569.A N MET 565.A O no hydrogen 2.779 N/A GLN 570.A N CYS 567.A O no hydrogen 3.270 N/A GLN 570.A NE2 THR 566.A O no hydrogen 3.174 N/A GLN 570.A NE2 ALA 595.A O no hydrogen 3.205 N/A GLY 571.A N LEU 568.A O no hydrogen 2.924 N/A LEU 572.A N ILE 569.A O no hydrogen 3.062 N/A GLY 575.A N LEU 572.A O no hydrogen 2.872 N/A ARG 576.A N ALA 573.A O no hydrogen 2.901 N/A LEU 578.A N VAL 548.A O no hydrogen 2.878 N/A THR 579.A N GLY 451.A O no hydrogen 3.172 N/A LEU 580.A N GLY 550.A O no hydrogen 2.757 N/A LEU 581.A N VAL 453.A O no hydrogen 3.002 N/A GLN 582.A N VAL 552.A O no hydrogen 2.920 N/A GLN 582.A NE2 SER 456.A O no hydrogen 3.124 N/A GLY 583.A N VAL 455.A O no hydrogen 2.858 N/A ASP 587.A N ASP 585.A OD1 no hydrogen 3.239 N/A LEU 588.A N ASP 585.A OD1 no hydrogen 3.080 N/A LEU 589.A N ASP 585.A O no hydrogen 2.838 N/A GLU 590.A N LYS 586.A O no hydrogen 2.805 N/A LEU 591.A N ASP 587.A O no hydrogen 2.984 N/A THR 592.A N LEU 588.A O no hydrogen 2.963 N/A THR 592.A OG1 LEU 588.A O no hydrogen 2.910 N/A VAL 593.A N LEU 589.A O no hydrogen 3.132 N/A SER 594.A N GLU 590.A O no hydrogen 2.944 N/A ALA 595.A N LEU 591.A O no hydrogen 2.940 N/A LEU 596.A N THR 592.A O no hydrogen 2.749 N/A SER 597.A N VAL 593.A O no hydrogen 2.805 N/A SER 597.A OG SER 594.A O no hydrogen 3.244 N/A GLY 598.A N ALA 595.A O no hydrogen 3.115 N/A ALA 599.A N SER 594.A O no hydrogen 3.009 N/A SER 600.A OG ALA 296.A O no hydrogen 2.844 N/A VAL 615.A N LYS 611.A O no hydrogen 3.180 N/A GLU 616.A N PRO 612.A O no hydrogen 2.932 N/A MET 617.A N GLU 613.A O no hydrogen 3.036 N/A MET 618.A N ASP 614.A O no hydrogen 3.014 N/A GLU 619.A N VAL 615.A O no hydrogen 2.983 N/A LYS 620.A N GLU 616.A O no hydrogen 2.924 N/A GLN 621.A N MET 617.A O no hydrogen 3.103 N/A ARG 622.A N MET 618.A O no hydrogen 3.042 N/A ARG 622.A NE LEU 632.A O no hydrogen 2.890 N/A ARG 622.A NH1 GLU 619.A OE1 no hydrogen 3.013 N/A ARG 622.A NH1 GLU 619.A OE2 no hydrogen 3.527 N/A ARG 622.A NH2 LEU 632.A O no hydrogen 3.429 N/A GLN 623.A N GLU 619.A O no hydrogen 2.882 N/A ARG 624.A N LYS 620.A O no hydrogen 3.102 N/A ARG 624.A NE GLN 621.A OE1 no hydrogen 3.354 N/A ARG 624.A NH1 CYS 510.A O no hydrogen 3.113 N/A ARG 624.A NH2 ARG 513.A O no hydrogen 2.738 N/A ARG 624.A NH2 GLN 621.A OE1 no hydrogen 2.764 N/A LEU 625.A N ARG 622.A O no hydrogen 3.242 N/A GLN 626.A N ARG 622.A O no hydrogen 2.857 N/A ARG 628.A NH1 ARG 628.A O no hydrogen 3.155 N/A TRP 629.A N LEU 625.A O no hydrogen 2.839 N/A TRP 629.A NE1 VAL 511.A O no hydrogen 2.715 N/A LEU 631.A N GLU 542.A OE1 no hydrogen 3.126 N/A LEU 632.A N TRP 629.A O no hydrogen 2.945 N/A ARG 633.A N GLY 630.A O no hydrogen 2.885 N/A ARG 633.A NE THR 635.A O no hydrogen 3.485 N/A