Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ffn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ASN 1.A OD1 no hydrogen 3.174 N/A MET 3.A N VAL 5.A O no hydrogen 2.943 N/A HIS 7.A N MET 3.A O no hydrogen 3.037 N/A HIS 7.A ND1 GLU 9.A OE2 no hydrogen 2.740 N/A GLU 9.A N GLU 9.A OE1 no hydrogen 3.047 N/A PHE 10.A N HIS 7.A O no hydrogen 2.665 N/A LEU 11.A N HIS 7.A O no hydrogen 3.325 N/A LYS 12.A N PRO 8.A O no hydrogen 3.218 N/A ALA 13.A N GLU 9.A O no hydrogen 2.961 N/A GLY 14.A N PHE 10.A O no hydrogen 2.812 N/A LYS 15.A N LYS 12.A O no hydrogen 2.761 N/A GLU 16.A N LYS 12.A O no hydrogen 2.582 N/A GLY 18.A N THR 51.A O no hydrogen 3.165 N/A GLN 20.A N LEU 49.A O no hydrogen 2.939 N/A GLN 20.A NE2 ILE 21.A O no hydrogen 3.285 N/A ILE 21.A N TYR 37.A OH no hydrogen 2.975 N/A TRP 22.A N VAL 47.A O no hydrogen 2.934 N/A TRP 22.A NE1 GLU 9.A OE2 no hydrogen 3.145 N/A ARG 23.A N VAL 30.A O no hydrogen 2.845 N/A ARG 23.A NE ASP 44.A OD1 no hydrogen 2.775 N/A ARG 23.A NH1 GLU 25.A OE2 no hydrogen 2.596 N/A ARG 23.A NH1 PHE 127.A O no hydrogen 3.392 N/A ARG 23.A NH2 ASP 44.A OD1 no hydrogen 2.721 N/A ARG 23.A NH2 PHE 127.A O no hydrogen 2.563 N/A VAL 24.A N ALA 45.A O no hydrogen 3.034 N/A GLU 25.A N ASP 28.A O no hydrogen 2.995 N/A LEU 29.A N ASP 28.A OD1 no hydrogen 3.040 N/A VAL 30.A N ARG 23.A O no hydrogen 3.008 N/A VAL 32.A N ILE 21.A O no hydrogen 2.934 N/A ASN 35.A ND2 ASN 201.A O no hydrogen 2.800 N/A LEU 36.A N PRO 33.A O no hydrogen 2.799 N/A TYR 37.A N THR 34.A O no hydrogen 3.160 N/A ASP 39.A N LEU 36.A O no hydrogen 2.875 N/A PHE 40.A N LYS 117.A O no hydrogen 2.743 N/A PHE 41.A N TYR 46.A OH no hydrogen 2.767 N/A THR 42.A N LYS 119.A O no hydrogen 2.842 N/A THR 42.A OG1 GLN 101.A OE1 no hydrogen 2.919 N/A GLY 43.A N GLY 121.A O no hydrogen 2.923 N/A ASP 44.A N PHE 41.A O no hydrogen 3.212 N/A ALA 45.A N GLU 75.A OE1 no hydrogen 3.240 N/A TYR 46.A N TRP 66.A O no hydrogen 3.012 N/A TYR 46.A OH HIS 129.A NE2 no hydrogen 2.692 N/A VAL 47.A N TRP 22.A O no hydrogen 2.824 N/A ILE 48.A N HIS 64.A O no hydrogen 2.674 N/A LEU 49.A N GLN 20.A O no hydrogen 2.841 N/A LYS 50.A N ASP 62.A O no hydrogen 2.918 N/A THR 51.A N GLY 18.A O no hydrogen 3.067 N/A THR 51.A OG1 ALA 13.A O no hydrogen 2.734 N/A VAL 52.A N GLN 60.A O no hydrogen 2.805 N/A LEU 54.A N ASN 58.A O no hydrogen 2.774 N/A ASN 58.A N ASN 56.A OD1 no hydrogen 3.130 N/A GLN 60.A N VAL 52.A O no hydrogen 2.723 N/A GLN 60.A NE2 LEU 356.A O no hydrogen 2.907 N/A TYR 61.A OH GLY 14.A O no hydrogen 2.312 N/A ASP 62.A N LYS 50.A O no hydrogen 2.978 N/A LEU 63.A N VAL 95.A O no hydrogen 2.655 N/A HIS 64.A N ILE 48.A O no hydrogen 2.803 N/A HIS 64.A ND1 GLU 99.A OE1 no hydrogen 2.773 N/A HIS 64.A NE2 TYR 111.A OH no hydrogen 2.790 N/A TYR 65.A N HIS 97.A O no hydrogen 2.796 N/A TRP 66.A N TYR 46.A O no hydrogen 3.044 N/A TRP 66.A NE1 GLU 104.A OE1 no hydrogen 2.809 N/A LEU 67.A N GLU 99.A O no hydrogen 2.811 N/A GLY 68.A N ASP 44.A O no hydrogen 3.172 N/A ASN 69.A N GLN 101.A OE1 no hydrogen 2.798 N/A GLU 70.A N THR 42.A O no hydrogen 2.955 N/A CYS 71.A SG ASP 44.A O no hydrogen 3.372 N/A CYS 71.A SG SER 72.A O no hydrogen 4.041 N/A GLU 75.A N SER 72.A OG no hydrogen 3.016 N/A SER 76.A N SER 72.A O no hydrogen 3.110 N/A SER 76.A OG SER 72.A O no hydrogen 3.337 N/A SER 76.A OG GLN 73.A O no hydrogen 2.829 N/A GLY 77.A N GLN 73.A O no hydrogen 2.844 N/A ALA 78.A N ASP 74.A O no hydrogen 3.049 N/A ALA 79.A N GLU 75.A O no hydrogen 3.110 N/A ALA 80.A N SER 76.A O no hydrogen 2.947 N/A ILE 81.A N GLY 77.A O no hydrogen 2.877 N/A PHE 82.A N ALA 78.A O no hydrogen 2.868 N/A THR 83.A N ALA 79.A O no hydrogen 3.061 N/A THR 83.A OG1 ALA 79.A O no hydrogen 2.754 N/A VAL 84.A N ALA 80.A O no hydrogen 3.138 N/A GLN 85.A N ILE 81.A O no hydrogen 2.921 N/A LEU 86.A N PHE 82.A O no hydrogen 2.720 N/A ASP 87.A N THR 83.A O no hydrogen 3.053 N/A ASP 88.A N VAL 84.A O no hydrogen 3.195 N/A TYR 89.A N GLN 85.A O no hydrogen 3.313 N/A LEU 90.A N ASP 87.A O no hydrogen 3.203 N/A ASN 91.A N ASP 88.A O no hydrogen 3.018 N/A GLY 92.A N ASP 87.A O no hydrogen 2.896 N/A ALA 94.A N ASP 87.A OD2 no hydrogen 3.170 N/A VAL 95.A N TYR 61.A O no hydrogen 2.944 N/A GLN 96.A N VAL 325.A O no hydrogen 3.117 N/A HIS 97.A N LEU 63.A O no hydrogen 2.694 N/A HIS 97.A NE2 ASP 62.A OD1 no hydrogen 3.241 N/A ARG 98.A N VAL 323.A O no hydrogen 3.024 N/A ARG 98.A NH1 LYS 319.A O no hydrogen 3.368 N/A GLU 99.A N TYR 65.A O no hydrogen 2.809 N/A GLN 101.A N LEU 67.A O no hydrogen 2.963 N/A GLY 102.A N TYR 118.A OH no hydrogen 3.381 N/A PHE 103.A N VAL 100.A O no hydrogen 2.927 N/A GLU 104.A N GLU 104.A OE2 no hydrogen 2.724 N/A SER 105.A N GLU 99.A OE2 no hydrogen 2.544 N/A SER 105.A OG GLU 99.A OE1 no hydrogen 2.604 N/A SER 105.A OG GLU 99.A OE2 no hydrogen 3.383 N/A PHE 108.A N SER 105.A OG no hydrogen 2.921 N/A LEU 109.A N SER 105.A O no hydrogen 2.797 N/A GLY 110.A N ALA 106.A O no hydrogen 2.972 N/A TYR 111.A N PHE 108.A O no hydrogen 3.036 N/A TYR 111.A OH HIS 64.A NE2 no hydrogen 2.790 N/A PHE 112.A N LEU 109.A O no hydrogen 3.077 N/A LYS 113.A NZ PRO 631.A O no hydrogen 2.804 N/A LYS 113.A NZ ASP 638.A OD1 no hydrogen 3.190 N/A LYS 113.A NZ ASP 638.A OD2 no hydrogen 2.901 N/A GLY 115.A N PHE 112.A O no hydrogen 3.369 N/A LEU 116.A N VAL 149.A O no hydrogen 3.389 N/A LYS 117.A N GLY 38.A O no hydrogen 2.916 N/A LYS 117.A NZ ASP 39.A OD1 no hydrogen 2.435 N/A LYS 117.A NZ GLU 202.A OE1 no hydrogen 2.635 N/A TYR 118.A N ALA 151.A O no hydrogen 2.946 N/A TYR 118.A OH GLU 104.A OE1 no hydrogen 2.634 N/A LYS 119.A N PHE 40.A O no hydrogen 2.858 N/A LYS 120.A N GLU 153.A OE1 no hydrogen 2.828 N/A VAL 123.A N ASP 44.A OD2 no hydrogen 2.808 N/A SER 125.A N GLY 122.A O no hydrogen 3.236 N/A SER 125.A OG GLY 122.A O no hydrogen 3.370 N/A GLY 126.A N VAL 123.A O no hydrogen 2.757 N/A PHE 127.A N GLY 122.A O no hydrogen 3.064 N/A HIS 129.A NE2 TYR 46.A OH no hydrogen 2.692 N/A ARG 139.A N ASP 170.A O no hydrogen 3.077 N/A ARG 139.A NE ASP 170.A OD2 no hydrogen 3.344 N/A ARG 139.A NH2 ASP 170.A OD2 no hydrogen 2.616 N/A ARG 139.A NH2 GLU 202.A OE2 no hydrogen 3.510 N/A PHE 141.A N ILE 168.A O no hydrogen 2.879 N/A GLN 142.A N THR 152.A O no hydrogen 2.764 N/A VAL 143.A N CYS 166.A O no hydrogen 2.929 N/A LYS 144.A N ARG 150.A O no hydrogen 2.966 N/A LYS 144.A NZ ASP 165.A OD1 no hydrogen 3.191 N/A LYS 144.A NZ THR 235.A O no hydrogen 3.010 N/A ARG 146.A NE ASP 643.A OD2 no hydrogen 3.374 N/A ARG 146.A NH1 ASN 184.A OD1 no hydrogen 3.047 N/A ARG 146.A NH1 GLU 187.A OE1 no hydrogen 3.203 N/A ARG 146.A NH2 ASN 184.A OD1 no hydrogen 3.470 N/A ARG 147.A NH1 GLU 628.A OE1 no hydrogen 3.537 N/A ARG 147.A NH1 ASP 643.A OD2 no hydrogen 3.564 N/A ARG 147.A NH2 ASP 643.A OD2 no hydrogen 2.667 N/A ARG 150.A N LYS 144.A O no hydrogen 3.011 N/A ARG 150.A NE GLU 104.A OE2 no hydrogen 3.416 N/A ARG 150.A NE TYR 118.A OH no hydrogen 3.163 N/A ARG 150.A NH2 GLU 104.A OE2 no hydrogen 2.746 N/A ALA 151.A N LEU 116.A O no hydrogen 2.851 N/A THR 152.A N GLN 142.A O no hydrogen 2.837 N/A GLU 153.A N TYR 118.A O no hydrogen 2.775 N/A VAL 154.A N LEU 140.A O no hydrogen 2.643 N/A TRP 158.A NE1 GLY 226.A O no hydrogen 3.056 N/A GLU 159.A N SER 157.A OG no hydrogen 2.947 N/A SER 160.A N SER 157.A O no hydrogen 3.012 N/A SER 160.A OG PRO 155.A O no hydrogen 2.624 N/A PHE 161.A N TRP 158.A O no hydrogen 2.923 N/A ASN 162.A ND2 GLN 142.A OE1 no hydrogen 3.396 N/A ASN 162.A ND2 ASP 165.A OD1 no hydrogen 3.221 N/A ASN 163.A N PRO 232.A O no hydrogen 2.913 N/A ASN 163.A ND2 GLU 214.A OE1 no hydrogen 2.508 N/A GLY 164.A N ASN 162.A OD1 no hydrogen 2.831 N/A PHE 167.A N TRP 178.A O no hydrogen 2.674 N/A ILE 168.A N PHE 141.A O no hydrogen 2.992 N/A LEU 169.A N HIS 176.A O no hydrogen 2.839 N/A ASP 170.A N ARG 139.A O no hydrogen 2.804 N/A LEU 171.A N ASN 174.A O no hydrogen 2.873 N/A GLY 172.A N ASP 170.A OD1 no hydrogen 3.155 N/A ILE 175.A N ARG 208.A O no hydrogen 2.776 N/A HIS 176.A N LEU 169.A O no hydrogen 3.061 N/A GLN 177.A N HIS 210.A O no hydrogen 2.787 N/A GLN 177.A NE2 ARG 188.A O no hydrogen 3.563 N/A GLN 177.A NE2 THR 192.A OG1 no hydrogen 3.168 N/A TRP 178.A N PHE 167.A O no hydrogen 2.656 N/A TRP 178.A NE1 GLU 217.A OE1 no hydrogen 3.022 N/A CYS 179.A N SER 212.A O no hydrogen 3.004 N/A GLY 180.A N ASP 165.A O no hydrogen 2.889 N/A SER 181.A N GLU 214.A OE1 no hydrogen 3.020 N/A SER 181.A OG GLU 214.A OE1 no hydrogen 2.908 N/A ASN 182.A N ASN 163.A O no hydrogen 2.805 N/A SER 183.A N GLY 180.A O no hydrogen 2.833 N/A SER 183.A OG GLY 180.A O no hydrogen 2.652 N/A ARG 185.A NH2 ASP 717.A OD2 no hydrogen 2.796 N/A ARG 185.A NH2 ASP 720.A OD1 no hydrogen 2.951 N/A TYR 186.A OH GLU 637.A O no hydrogen 3.024 N/A GLU 187.A N ASN 184.A O no hydrogen 2.939 N/A ARG 188.A N ASN 184.A O no hydrogen 3.412 N/A ARG 188.A NE SER 183.A O no hydrogen 3.285 N/A ARG 188.A NH2 SER 183.A O no hydrogen 2.845 N/A LEU 189.A N ARG 185.A O no hydrogen 3.372 N/A LYS 190.A N TYR 186.A O no hydrogen 3.378 N/A LYS 190.A NZ ARG 146.A O no hydrogen 3.058 N/A ALA 191.A N GLU 187.A O no hydrogen 3.083 N/A THR 192.A N ARG 188.A O no hydrogen 3.244 N/A THR 192.A OG1 ARG 188.A O no hydrogen 2.971 N/A GLN 193.A N LYS 190.A O no hydrogen 2.896 N/A GLN 193.A NE2 LYS 190.A O no hydrogen 3.002 N/A SER 195.A N ALA 191.A O no hydrogen 3.212 N/A SER 195.A OG GLN 177.A OE1 no hydrogen 2.693 N/A SER 195.A OG ALA 191.A O no hydrogen 3.396 N/A LYS 196.A N THR 192.A O no hydrogen 2.920 N/A GLY 197.A N GLN 193.A O no hydrogen 2.715 N/A ILE 198.A N VAL 194.A O no hydrogen 2.923 N/A ARG 199.A N SER 195.A O no hydrogen 2.902 N/A ARG 199.A NE ASP 200.A OD2 no hydrogen 3.083 N/A ARG 199.A NH2 ASP 200.A OD1 no hydrogen 3.474 N/A ARG 199.A NH2 ASP 200.A OD2 no hydrogen 3.128 N/A ASP 200.A N LYS 196.A O no hydrogen 2.672 N/A ASN 201.A N GLY 197.A O no hydrogen 2.817 N/A GLU 202.A N ILE 198.A O no hydrogen 3.275 N/A ARG 203.A N ILE 198.A O no hydrogen 3.093 N/A ARG 203.A NH1 ASP 170.A OD1 no hydrogen 2.890 N/A ARG 203.A NH1 ASP 170.A OD2 no hydrogen 3.064 N/A ARG 203.A NH1 GLY 172.A O no hydrogen 3.391 N/A ARG 203.A NH2 ASP 170.A OD2 no hydrogen 3.245 N/A GLY 205.A N ARG 199.A O no hydrogen 3.040 N/A ARG 206.A N ARG 203.A O no hydrogen 2.814 N/A ARG 208.A N ASN 173.A O no hydrogen 2.811 N/A HIS 210.A N ILE 175.A O no hydrogen 2.749 N/A HIS 210.A NE2 ASN 174.A OD1 no hydrogen 3.037 N/A SER 212.A N GLN 177.A O no hydrogen 2.883 N/A THR 216.A N GLU 213.A O no hydrogen 2.931 N/A THR 216.A OG1 GLU 213.A O no hydrogen 3.391 N/A LEU 222.A N PRO 218.A O no hydrogen 3.063 N/A GLN 223.A N GLU 219.A O no hydrogen 2.639 N/A VAL 224.A N ALA 220.A O no hydrogen 3.313 N/A LEU 225.A N MET 221.A O no hydrogen 3.042 N/A GLY 226.A N LEU 222.A O no hydrogen 2.883 N/A LYS 228.A NZ PRO 229.A O no hydrogen 2.880 N/A ARG 241.A NH1 TYR 676.A O no hydrogen 2.911 N/A LYS 242.A NZ ASN 683.A OD1 no hydrogen 2.676 N/A ALA 244.A N ASN 265.A OD1 no hydrogen 3.095 N/A LYS 245.A N ASP 281.A O no hydrogen 3.211 N/A LEU 246.A N ALA 262.A O no hydrogen 3.083 N/A TYR 247.A N ILE 279.A O no hydrogen 2.766 N/A LYS 248.A N SER 259.A O no hydrogen 2.866 N/A VAL 249.A N CYS 277.A O no hydrogen 2.874 N/A SER 250.A N SER 257.A O no hydrogen 3.099 N/A GLY 252.A N GLU 300.A OE1 no hydrogen 3.050 N/A ALA 253.A N GLU 300.A OE1 no hydrogen 3.465 N/A SER 257.A N SER 250.A O no hydrogen 3.146 N/A SER 259.A N LYS 248.A O no hydrogen 3.027 N/A VAL 261.A N LEU 246.A O no hydrogen 3.052 N/A ASN 265.A ND2 LYS 242.A O no hydrogen 2.978 N/A ASN 265.A ND2 PRO 681.A O no hydrogen 2.631 N/A PHE 267.A N PHE 338.A O no hydrogen 2.809 N/A GLN 269.A NE2 ARG 343.A O no hydrogen 3.057 N/A ALA 271.A N ALA 268.A O no hydrogen 2.810 N/A LEU 272.A N GLN 269.A O no hydrogen 2.979 N/A SER 274.A OG GLU 328.A OE1 no hydrogen 3.280 N/A SER 274.A OG GLU 328.A OE2 no hydrogen 2.586 N/A ASP 276.A N LYS 273.A O no hydrogen 3.391 N/A PHE 278.A N TRP 291.A O no hydrogen 3.016 N/A ILE 279.A N TYR 247.A O no hydrogen 2.774 N/A LEU 280.A N PHE 289.A O no hydrogen 2.938 N/A ASP 281.A N LYS 245.A O no hydrogen 2.804 N/A HIS 282.A N LYS 287.A O no hydrogen 2.989 N/A GLY 283.A N ASP 281.A OD2 no hydrogen 2.668 N/A ASP 285.A N HIS 282.A O no hydrogen 2.760 N/A GLY 286.A N GLY 283.A O no hydrogen 2.793 N/A LYS 287.A N HIS 282.A O no hydrogen 3.352 N/A LYS 287.A NZ GLN 322.A OE1 no hydrogen 2.745 N/A ILE 288.A N GLN 322.A O no hydrogen 2.945 N/A PHE 289.A N LEU 280.A O no hydrogen 2.918 N/A VAL 290.A N SER 324.A O no hydrogen 2.656 N/A TRP 291.A N PHE 278.A O no hydrogen 2.946 N/A TRP 291.A NE1 GLU 331.A OE1 no hydrogen 2.851 N/A LYS 292.A N LEU 326.A O no hydrogen 2.863 N/A GLY 293.A N ASP 276.A O no hydrogen 3.090 N/A LYS 294.A N GLU 328.A OE2 no hydrogen 3.074 N/A GLN 295.A N SER 274.A O no hydrogen 3.036 N/A ALA 296.A N GLY 293.A O no hydrogen 3.225 N/A ARG 301.A N ASN 297.A O no hydrogen 3.036 N/A ARG 301.A NH1 ALA 296.A O no hydrogen 2.540 N/A LYS 302.A N THR 298.A O no hydrogen 2.940 N/A LYS 302.A NZ ASP 88.A OD1 no hydrogen 2.638 N/A ALA 303.A N GLU 300.A O no hydrogen 3.165 N/A THR 307.A N ALA 303.A O no hydrogen 2.900 N/A THR 307.A OG1 ALA 303.A O no hydrogen 3.153 N/A ALA 308.A N ALA 304.A O no hydrogen 2.858 N/A SER 309.A N LEU 305.A O no hydrogen 3.067 N/A SER 309.A OG LEU 305.A O no hydrogen 3.503 N/A ASP 310.A N LYS 306.A O no hydrogen 2.943 N/A PHE 311.A N THR 307.A O no hydrogen 2.975 N/A ILE 312.A N ALA 308.A O no hydrogen 3.042 N/A THR 313.A N SER 309.A O no hydrogen 2.995 N/A THR 313.A OG1 SER 309.A O no hydrogen 3.227 N/A LYS 314.A N ASP 310.A O no hydrogen 2.760 N/A MET 315.A N PHE 311.A O no hydrogen 2.977 N/A ASP 316.A N THR 313.A O no hydrogen 2.893 N/A TYR 317.A N ILE 312.A O no hydrogen 2.972 N/A TYR 317.A OH ASP 281.A OD1 no hydrogen 2.683 N/A TYR 317.A OH ASP 281.A OD2 no hydrogen 3.090 N/A THR 321.A N PRO 318.A O no hydrogen 3.200 N/A THR 321.A OG1 PRO 318.A O no hydrogen 2.678 N/A GLN 322.A N GLY 286.A O no hydrogen 2.986 N/A GLN 322.A NE2 PHE 103.A O no hydrogen 3.299 N/A SER 324.A N ILE 288.A O no hydrogen 3.077 N/A SER 324.A OG HIS 97.A ND1 no hydrogen 3.223 N/A VAL 325.A N GLN 96.A O no hydrogen 2.929 N/A LEU 326.A N VAL 290.A O no hydrogen 2.695 N/A GLU 328.A N LYS 292.A O no hydrogen 2.813 N/A GLY 329.A N GLU 331.A OE1 no hydrogen 2.957 N/A GLY 330.A N PRO 327.A O no hydrogen 2.862 N/A GLU 331.A N GLU 331.A OE2 no hydrogen 2.643 N/A LYS 336.A N THR 332.A O no hydrogen 3.064 N/A GLN 337.A N PRO 333.A O no hydrogen 3.143 N/A GLN 337.A NE2 ALA 610.A O no hydrogen 3.622 N/A PHE 338.A N PHE 335.A O no hydrogen 3.127 N/A PHE 339.A N LYS 336.A O no hydrogen 3.056 N/A LYS 340.A N PHE 267.A O no hydrogen 2.918 N/A ARG 343.A N GLN 269.A OE1 no hydrogen 2.860 N/A SER 354.A OG ASP 344.A OD2 no hydrogen 2.938 N/A TYR 355.A OH ASP 62.A OD1 no hydrogen 2.621 N/A TYR 355.A OH ASP 62.A OD2 no hydrogen 2.924 N/A LEU 356.A N GLN 60.A OE1 no hydrogen 2.884 N/A HIS 359.A NE2 PRO 613.A O no hydrogen 2.998 N/A ILE 360.A N SER 357.A O no hydrogen 3.135 N/A ALA 361.A N SER 358.A O no hydrogen 3.150 N/A VAL 363.A N ILE 360.A O no hydrogen 3.053 N/A ARG 365.A NH1 VAL 363.A O no hydrogen 3.516 N/A ARG 365.A NH2 ASP 609.A OD2 no hydrogen 2.599 N/A VAL 366.A N GLN 382.A OE1 no hydrogen 2.952 N/A THR 372.A N ASP 369.A O no hydrogen 2.912 N/A THR 372.A OG1 ASP 369.A O no hydrogen 3.501 N/A THR 372.A OG1 ASP 369.A OD1 no hydrogen 2.874 N/A THR 375.A N THR 372.A O no hydrogen 2.971 N/A SER 376.A N LEU 373.A O no hydrogen 2.977 N/A MET 379.A N SER 376.A O no hydrogen 3.152 N/A MET 379.A N SER 376.A OG no hydrogen 3.087 N/A ALA 380.A N SER 376.A O no hydrogen 3.118 N/A ALA 381.A N THR 377.A O no hydrogen 2.984 N/A GLN 382.A N ALA 378.A O no hydrogen 3.055 N/A GLN 382.A NE2 GLU 364.A O no hydrogen 3.104 N/A HIS 383.A N MET 379.A O no hydrogen 3.119 N/A HIS 383.A N ALA 380.A O no hydrogen 3.313 N/A HIS 383.A ND1 SER 518.A OG no hydrogen 3.149 N/A HIS 383.A NE2 VAL 366.A O no hydrogen 2.985 N/A GLY 384.A N ALA 381.A O no hydrogen 3.433 N/A MET 385.A N ALA 380.A O no hydrogen 3.124 N/A GLY 389.A N ASP 387.A OD2 no hydrogen 2.649 N/A THR 390.A N ASP 388.A OD1 no hydrogen 3.262 N/A THR 390.A OG1 ASP 388.A OD1 no hydrogen 2.853 N/A THR 390.A OG1 ASP 388.A OD2 no hydrogen 3.267 N/A GLY 391.A N TYR 424.A OH no hydrogen 2.939 N/A LYS 393.A NZ LEU 484.A O no hydrogen 2.658 N/A GLN 394.A N LEU 423.A O no hydrogen 2.948 N/A ILE 395.A N TYR 411.A OH no hydrogen 2.940 N/A TRP 396.A N ILE 421.A O no hydrogen 2.781 N/A ARG 397.A N VAL 404.A O no hydrogen 2.726 N/A ARG 397.A NE GLU 399.A OE1 no hydrogen 2.914 N/A ARG 397.A NH1 SER 498.A OG no hydrogen 2.423 N/A ARG 397.A NH2 GLU 399.A OE1 no hydrogen 2.938 N/A ILE 398.A N SER 419.A O no hydrogen 2.977 N/A GLU 399.A N ASN 402.A O no hydrogen 3.049 N/A GLY 400.A N GLU 448.A OE1 no hydrogen 2.848 N/A ASN 402.A N GLU 399.A O no hydrogen 3.411 N/A VAL 404.A N ARG 397.A O no hydrogen 2.688 N/A VAL 406.A N ILE 395.A O no hydrogen 2.919 N/A ALA 409.A N ASP 407.A OD1 no hydrogen 3.258 N/A THR 410.A N ASP 407.A O no hydrogen 2.555 N/A THR 410.A OG1 ASP 407.A O no hydrogen 3.041 N/A TYR 411.A N PRO 408.A O no hydrogen 3.361 N/A GLN 413.A N THR 410.A O no hydrogen 2.862 N/A PHE 414.A N ILE 491.A O no hydrogen 2.821 N/A TYR 415.A N TYR 420.A OH no hydrogen 2.949 N/A GLY 416.A N TYR 493.A O no hydrogen 2.964 N/A ASP 418.A N TYR 415.A O no hydrogen 2.997 N/A SER 419.A OG SER 444.A OG no hydrogen 2.986 N/A TYR 420.A N TRP 439.A O no hydrogen 2.848 N/A ILE 421.A N TRP 396.A O no hydrogen 2.942 N/A ILE 422.A N TYR 437.A O no hydrogen 2.776 N/A LEU 423.A N GLN 394.A O no hydrogen 2.879 N/A TYR 424.A N ILE 435.A O no hydrogen 2.798 N/A TYR 424.A OH ASP 387.A OD1 no hydrogen 2.737 N/A TYR 424.A OH ASP 387.A OD2 no hydrogen 2.918 N/A ASN 425.A N GLN 392.A O no hydrogen 3.013 N/A TYR 426.A N GLY 433.A O no hydrogen 2.839 N/A ARG 427.A N ASP 387.A OD1 no hydrogen 3.459 N/A ARG 427.A NH1 GLY 429.A O no hydrogen 2.488 N/A ARG 427.A NH2 GLY 429.A O no hydrogen 2.794 N/A HIS 428.A N ARG 431.A O no hydrogen 3.004 N/A GLY 429.A N HIS 374.A O no hydrogen 3.044 N/A ARG 431.A N HIS 428.A O no hydrogen 3.285 N/A ARG 431.A NH2 GLU 698.A O no hydrogen 3.116 N/A GLY 433.A N TYR 426.A O no hydrogen 2.991 N/A GLN 434.A NE2 ASN 425.A OD1 no hydrogen 2.790 N/A ILE 435.A N TYR 424.A O no hydrogen 2.805 N/A ILE 436.A N VAL 468.A O no hydrogen 2.781 N/A TYR 437.A N ILE 422.A O no hydrogen 2.833 N/A ASN 438.A N SER 470.A O no hydrogen 2.778 N/A ASN 438.A ND2 TYR 420.A O no hydrogen 3.258 N/A ASN 438.A ND2 SER 452.A OG no hydrogen 2.953 N/A TRP 439.A N TYR 420.A O no hydrogen 2.895 N/A TRP 439.A NE1 GLU 477.A OE2 no hydrogen 2.835 N/A GLN 440.A N VAL 472.A O no hydrogen 2.911 N/A GLN 440.A NE2 ASN 438.A OD1 no hydrogen 3.017 N/A GLY 441.A N ASP 418.A O no hydrogen 2.991 N/A ALA 442.A N GLN 474.A OE1 no hydrogen 2.654 N/A GLN 443.A N GLY 416.A O no hydrogen 2.895 N/A SER 444.A N GLY 441.A O no hydrogen 3.167 N/A SER 444.A OG GLY 417.A O no hydrogen 3.523 N/A SER 444.A OG SER 419.A OG no hydrogen 2.986 N/A THR 445.A OG1 ASP 447.A OD1 no hydrogen 2.651 N/A GLU 448.A N THR 445.A O no hydrogen 2.633 N/A VAL 449.A N THR 445.A O no hydrogen 2.892 N/A ALA 450.A N GLN 446.A O no hydrogen 2.933 N/A ALA 451.A N ASP 447.A O no hydrogen 2.923 N/A SER 452.A N GLU 448.A O no hydrogen 2.828 N/A SER 452.A OG VAL 449.A O no hydrogen 2.815 N/A ALA 453.A N VAL 449.A O no hydrogen 3.033 N/A ILE 454.A N ALA 450.A O no hydrogen 3.005 N/A LEU 455.A N ALA 451.A O no hydrogen 2.889 N/A THR 456.A N SER 452.A O no hydrogen 2.999 N/A THR 456.A OG1 SER 452.A O no hydrogen 2.763 N/A ALA 457.A N ALA 453.A O no hydrogen 3.199 N/A GLN 458.A N ILE 454.A O no hydrogen 2.909 N/A LEU 459.A N LEU 455.A O no hydrogen 2.957 N/A LEU 459.A N THR 456.A O no hydrogen 3.074 N/A ASP 460.A N THR 456.A O no hydrogen 3.080 N/A GLU 461.A N ALA 457.A O no hydrogen 2.940 N/A GLU 462.A N GLN 458.A O no hydrogen 3.122 N/A LEU 463.A N LEU 459.A O no hydrogen 2.927 N/A LEU 463.A N ASP 460.A O no hydrogen 3.084 N/A GLY 464.A N GLU 461.A O no hydrogen 3.180 N/A GLY 465.A N ASP 460.A O no hydrogen 2.844 N/A THR 466.A OG1 LEU 463.A O no hydrogen 3.359 N/A VAL 468.A N GLN 434.A O no hydrogen 2.828 N/A GLN 469.A N VAL 692.A O no hydrogen 2.894 N/A SER 470.A N ILE 436.A O no hydrogen 2.801 N/A SER 470.A OG ILE 690.A O no hydrogen 3.511 N/A SER 470.A OG THR 691.A OG1 no hydrogen 3.072 N/A ARG 471.A N ILE 690.A O no hydrogen 2.876 N/A ARG 471.A NH1 ARG 471.A O no hydrogen 3.000 N/A ARG 471.A NH1 THR 688.A O no hydrogen 3.320 N/A ARG 471.A NH2 THR 688.A O no hydrogen 3.263 N/A VAL 472.A N ASN 438.A O no hydrogen 2.810 N/A GLN 474.A N GLN 440.A O no hydrogen 3.037 N/A GLN 474.A NE2 TYR 493.A O no hydrogen 3.601 N/A GLN 474.A NE2 LYS 494.A O no hydrogen 3.448 N/A GLY 475.A N GLU 477.A OE2 no hydrogen 2.822 N/A LYS 476.A N VAL 473.A O no hydrogen 2.991 N/A LEU 481.A N PRO 478.A O no hydrogen 3.109 N/A SER 483.A N HIS 480.A O no hydrogen 3.171 N/A SER 483.A OG ALA 479.A O no hydrogen 3.200 N/A LYS 488.A N PHE 485.A O no hydrogen 2.902 N/A MET 490.A N THR 522.A O no hydrogen 3.108 N/A ILE 491.A N GLY 412.A O no hydrogen 2.734 N/A ILE 492.A N ALA 524.A O no hydrogen 2.866 N/A TYR 493.A N PHE 414.A O no hydrogen 2.890 N/A LYS 494.A N GLU 526.A OE2 no hydrogen 2.843 N/A THR 497.A OG1 ASP 418.A OD1 no hydrogen 2.640 N/A THR 497.A OG1 ASP 418.A OD2 no hydrogen 3.314 N/A SER 498.A N ASP 418.A OD2 no hydrogen 3.063 N/A SER 498.A OG ASP 418.A OD2 no hydrogen 3.372 N/A ARG 499.A N THR 497.A OG1 no hydrogen 3.127 N/A ARG 499.A NE THR 497.A OG1 no hydrogen 2.872 N/A ARG 499.A NH1 GLU 448.A OE1 no hydrogen 2.988 N/A ARG 499.A NH1 GLU 448.A OE2 no hydrogen 3.436 N/A ARG 499.A NH2 ASP 418.A OD1 no hydrogen 2.991 N/A ARG 499.A NH2 GLU 448.A OE2 no hydrogen 2.750 N/A ARG 510.A N LYS 543.A O no hydrogen 2.745 N/A ARG 510.A NE GLU 526.A OE1 no hydrogen 3.240 N/A ARG 510.A NH2 GLU 526.A OE2 no hydrogen 3.217 N/A PHE 512.A N VAL 541.A O no hydrogen 2.688 N/A GLN 513.A N VAL 525.A O no hydrogen 2.732 N/A GLN 513.A NE2 ASP 538.A OD1 no hydrogen 2.718 N/A VAL 514.A N ALA 539.A O no hydrogen 2.679 N/A ARG 515.A N ARG 523.A O no hydrogen 2.969 N/A ASN 517.A N ALA 521.A O no hydrogen 2.966 N/A ASN 517.A ND2 ALA 479.A O no hydrogen 3.107 N/A ASN 517.A ND2 SER 483.A OG no hydrogen 3.260 N/A SER 518.A OG HIS 383.A ND1 no hydrogen 3.149 N/A GLY 520.A N ASN 517.A O no hydrogen 2.661 N/A ARG 523.A N ARG 515.A O no hydrogen 2.876 N/A ARG 523.A NE GLU 477.A OE1 no hydrogen 2.981 N/A ARG 523.A NH2 GLU 477.A OE1 no hydrogen 3.104 N/A ALA 524.A N MET 490.A O no hydrogen 2.772 N/A VAL 525.A N GLN 513.A O no hydrogen 2.760 N/A GLU 526.A N ILE 492.A O no hydrogen 2.895 N/A VAL 527.A N LEU 511.A O no hydrogen 2.767 N/A LYS 530.A N LEU 528.A O no hydrogen 2.807 N/A ALA 533.A N LYS 530.A O no hydrogen 3.270 N/A LEU 534.A N ALA 531.A O no hydrogen 3.042 N/A SER 536.A N ARG 598.A O no hydrogen 3.103 N/A SER 536.A OG GLU 580.A OE1 no hydrogen 3.494 N/A SER 536.A OG GLU 580.A OE2 no hydrogen 2.808 N/A ASN 537.A N ASN 535.A OD1 no hydrogen 3.249 N/A ASP 538.A N ASN 535.A O no hydrogen 3.378 N/A ALA 539.A N VAL 514.A O no hydrogen 3.269 N/A PHE 540.A N TRP 551.A O no hydrogen 2.804 N/A VAL 541.A N PHE 512.A O no hydrogen 2.861 N/A LEU 542.A N TYR 549.A O no hydrogen 2.907 N/A LYS 543.A N ARG 510.A O no hydrogen 2.713 N/A THR 544.A N ALA 547.A O no hydrogen 3.070 N/A TYR 549.A N LEU 542.A O no hydrogen 2.946 N/A LEU 550.A N VAL 576.A O no hydrogen 3.352 N/A TRP 551.A N PHE 540.A O no hydrogen 2.924 N/A VAL 552.A N VAL 578.A O no hydrogen 3.016 N/A GLY 553.A N ASP 538.A O no hydrogen 3.350 N/A THR 554.A N GLU 580.A OE1 no hydrogen 2.829 N/A THR 554.A OG1 GLU 580.A OE1 no hydrogen 2.882 N/A GLY 555.A N SER 536.A O no hydrogen 2.735 N/A ALA 556.A N GLY 553.A O no hydrogen 2.799 N/A SER 557.A N GLU 560.A OE2 no hydrogen 2.773 N/A SER 557.A OG GLU 560.A OE2 no hydrogen 2.873 N/A LYS 561.A N SER 557.A O no hydrogen 3.209 N/A THR 562.A N GLU 558.A O no hydrogen 2.887 N/A GLY 563.A N ALA 559.A O no hydrogen 2.934 N/A ALA 564.A N GLU 560.A O no hydrogen 3.023 N/A GLN 565.A N LYS 561.A O no hydrogen 3.224 N/A GLU 566.A N THR 562.A O no hydrogen 3.309 N/A LEU 567.A N GLY 563.A O no hydrogen 3.375 N/A LEU 567.A N ALA 564.A O no hydrogen 3.244 N/A LEU 568.A N ALA 564.A O no hydrogen 3.110 N/A ARG 569.A N GLN 565.A O no hydrogen 3.009 N/A VAL 570.A N GLU 566.A O no hydrogen 3.429 N/A LEU 571.A N LEU 567.A O no hydrogen 2.968 N/A ARG 572.A N ARG 569.A O no hydrogen 3.027 N/A ALA 573.A N LEU 568.A O no hydrogen 3.060 N/A VAL 576.A N ALA 548.A O no hydrogen 2.990 N/A VAL 578.A N LEU 550.A O no hydrogen 3.193 N/A GLU 580.A N VAL 552.A O no hydrogen 3.207 N/A GLY 581.A N GLU 583.A OE2 no hydrogen 2.723 N/A PHE 587.A N PRO 584.A O no hydrogen 3.238 N/A TRP 588.A NE1 GLU 583.A OE1 no hydrogen 2.981 N/A GLU 589.A N ASP 585.A O no hydrogen 3.114 N/A ALA 590.A N GLY 586.A O no hydrogen 3.252 N/A GLY 592.A N GLU 589.A O no hydrogen 3.026 N/A GLY 593.A N TRP 588.A O no hydrogen 2.898 N/A TYR 597.A OH GLU 580.A OE2 no hydrogen 2.695 N/A ARG 598.A N LEU 534.A O no hydrogen 3.439 N/A ARG 602.A NH1 ASP 538.A OD2 no hydrogen 2.979 N/A ARG 602.A NH2 ASP 538.A OD1 no hydrogen 2.769 N/A ARG 602.A NH2 ASP 538.A OD2 no hydrogen 3.117 N/A LYS 606.A N LEU 603.A O no hydrogen 2.899 N/A LYS 606.A NZ ASP 349.A O no hydrogen 3.299 N/A LYS 606.A NZ GLY 350.A O no hydrogen 3.232 N/A LYS 606.A NZ GLY 352.A O no hydrogen 3.167 N/A LYS 607.A N LYS 604.A O no hydrogen 3.410 N/A ALA 610.A N LYS 606.A O no hydrogen 3.037 N/A HIS 611.A N LYS 607.A O no hydrogen 2.882 N/A ARG 614.A N ASP 648.A O no hydrogen 3.057 N/A ARG 614.A NH1 GLU 629.A OE2 no hydrogen 3.411 N/A PHE 616.A N LEU 646.A O no hydrogen 2.886 N/A ALA 617.A N GLU 628.A O no hydrogen 2.994 N/A CYS 618.A N VAL 644.A O no hydrogen 3.297 N/A CYS 618.A SG VAL 644.A O no hydrogen 3.535 N/A SER 619.A N VAL 626.A O no hydrogen 2.987 N/A ARG 624.A N ASN 620.A O no hydrogen 3.273 N/A VAL 626.A N SER 619.A O no hydrogen 3.025 N/A GLU 628.A N ALA 617.A O no hydrogen 2.880 N/A VAL 630.A N LEU 615.A O no hydrogen 2.859 N/A MET 635.A N ASP 638.A OD2 no hydrogen 3.179 N/A GLN 636.A NE2 ASP 710.A O no hydrogen 3.060 N/A ASP 638.A N MET 635.A O no hydrogen 2.790 N/A LEU 639.A N GLN 636.A O no hydrogen 2.751 N/A THR 641.A OG1 ASP 660.A OD2 no hydrogen 3.120 N/A ASP 643.A N ALA 640.A O no hydrogen 2.792 N/A MET 645.A N TRP 656.A O no hydrogen 2.800 N/A LEU 646.A N PHE 616.A O no hydrogen 2.712 N/A LEU 647.A N PHE 654.A O no hydrogen 2.803 N/A ASP 648.A N ARG 614.A O no hydrogen 2.893 N/A VAL 653.A N PRO 689.A O no hydrogen 3.022 N/A PHE 654.A N LEU 647.A O no hydrogen 2.700 N/A VAL 655.A N THR 691.A O no hydrogen 2.922 N/A TRP 656.A N MET 645.A O no hydrogen 2.740 N/A TRP 656.A NE1 GLU 698.A OE1 no hydrogen 2.730 N/A VAL 657.A N VAL 693.A O no hydrogen 2.900 N/A GLY 658.A N ASP 643.A O no hydrogen 2.904 N/A LYS 659.A N GLN 695.A OE1 no hydrogen 2.762 N/A ASP 660.A N THR 641.A O no hydrogen 2.789 N/A SER 661.A N GLY 658.A O no hydrogen 3.313 N/A SER 661.A OG GLY 658.A O no hydrogen 2.669 N/A LYS 666.A N GLN 662.A O no hydrogen 2.884 N/A LYS 666.A NZ LYS 659.A O no hydrogen 3.041 N/A THR 667.A N GLU 663.A O no hydrogen 2.960 N/A THR 667.A OG1 GLU 663.A O no hydrogen 3.421 N/A THR 667.A OG1 GLU 664.A O no hydrogen 3.323 N/A GLU 668.A N GLU 664.A O no hydrogen 2.860 N/A ALA 669.A N LYS 666.A O no hydrogen 3.447 N/A SER 672.A N GLU 668.A O no hydrogen 2.796 N/A SER 672.A OG GLU 668.A O no hydrogen 3.100 N/A ALA 673.A N ALA 669.A O no hydrogen 3.341 N/A LYS 674.A N LEU 670.A O no hydrogen 3.065 N/A ARG 675.A N THR 671.A O no hydrogen 2.868 N/A TYR 676.A N SER 672.A O no hydrogen 2.806 N/A TYR 676.A OH ASP 648.A OD2 no hydrogen 2.411 N/A ILE 677.A N ALA 673.A O no hydrogen 2.886 N/A GLU 678.A N LYS 674.A O no hydrogen 2.754 N/A THR 679.A N ARG 675.A O no hydrogen 3.118 N/A THR 679.A OG1 ARG 675.A O no hydrogen 3.082 N/A THR 679.A OG1 TYR 676.A O no hydrogen 3.172 N/A ASP 680.A N TYR 676.A O no hydrogen 3.207 N/A ALA 682.A N ASP 680.A OD1 no hydrogen 2.934 N/A ASN 683.A N ASP 680.A O no hydrogen 3.166 N/A ARG 684.A NH1 ASP 648.A OD2 no hydrogen 2.752 N/A ARG 684.A NH1 ASP 680.A OD2 no hydrogen 3.083 N/A ARG 684.A NH2 ASP 648.A OD1 no hydrogen 3.260 N/A ARG 684.A NH2 TRP 650.A O no hydrogen 2.864 N/A ARG 687.A N ASP 685.A OD1 no hydrogen 2.762 N/A ARG 687.A NE ASP 685.A OD1 no hydrogen 3.244 N/A ARG 687.A NE ASP 685.A OD2 no hydrogen 3.394 N/A ARG 687.A NH1 GLN 474.A O no hydrogen 3.443 N/A ARG 687.A NH2 ASP 685.A OD2 no hydrogen 3.035 N/A THR 688.A N ASP 685.A O no hydrogen 3.024 N/A THR 688.A OG1 ASP 685.A O no hydrogen 2.641 N/A ILE 690.A N ARG 471.A O no hydrogen 3.290 N/A THR 691.A N VAL 653.A O no hydrogen 3.002 N/A THR 691.A OG1 SER 470.A OG no hydrogen 3.072 N/A VAL 692.A N GLN 469.A O no hydrogen 2.577 N/A VAL 693.A N VAL 655.A O no hydrogen 2.920 N/A LYS 694.A NZ GLY 465.A O no hydrogen 2.827 N/A GLN 695.A N VAL 657.A O no hydrogen 3.033 N/A GLY 696.A N GLU 698.A OE1 no hydrogen 2.827 N/A PHE 697.A N LYS 694.A O no hydrogen 2.893 N/A GLU 698.A N GLU 698.A OE2 no hydrogen 2.627 N/A SER 701.A N ASP 386.A OD2 no hydrogen 2.700 N/A SER 701.A OG ASP 386.A OD1 no hydrogen 3.078 N/A SER 701.A OG ASP 386.A OD2 no hydrogen 2.582 N/A PHE 702.A N PRO 699.A O no hydrogen 2.818 N/A VAL 703.A N PRO 699.A O no hydrogen 3.012 N/A GLY 704.A N PRO 700.A O no hydrogen 2.835 N/A TRP 705.A N PHE 702.A O no hydrogen 3.233 N/A PHE 706.A N VAL 703.A O no hydrogen 3.082 N/A ASP 710.A N GLN 636.A OE1 no hydrogen 2.672 N/A ASP 712.A N ASP 710.A OD1 no hydrogen 2.756 N/A TYR 713.A N ASP 710.A O no hydrogen 3.128 N/A SER 715.A N ASP 712.A O no hydrogen 3.017 N/A SER 715.A OG ASP 712.A O no hydrogen 2.860 N/A ASP 720.A N ASP 717.A OD2 no hydrogen 2.872 N/A ARG 721.A N ASP 717.A O no hydrogen 3.142 N/A ARG 721.A NH2 TYR 713.A O no hydrogen 2.796 N/A ALA 722.A N PRO 718.A O no hydrogen 3.159 N/A MET 723.A N LEU 719.A O no hydrogen 3.073 N/A ALA 724.A N ASP 720.A O no hydrogen 3.437 N/A GLU 725.A N ARG 721.A O no hydrogen 3.129 N/A ALA 727.A N ALA 722.A O no hydrogen 3.306 N/A