Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pg3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 428.A O no hydrogen 2.749 N/A HIS 3.A NE2 GLU 392.A OE2 no hydrogen 2.876 N/A ALA 10.A N PRO 6.A O no hydrogen 2.960 N/A ASP 11.A N ALA 7.A O no hydrogen 2.972 N/A CYS 13.A N ILE 9.A O no hydrogen 2.896 N/A CYS 13.A SG ALA 10.A O no hydrogen 3.883 N/A CYS 13.A SG ILE 15.A O no hydrogen 3.541 N/A CYS 13.A SG GLY 424.A O no hydrogen 3.674 N/A LEU 14.A N ASP 290.A OD2 no hydrogen 2.812 N/A ASN 16.A N GLN 19.A OE1 no hydrogen 2.892 N/A GLU 18.A N GLU 18.A OE1 no hydrogen 2.927 N/A GLN 19.A N ASN 16.A OD1 no hydrogen 2.732 N/A TYR 20.A N ASN 16.A O no hydrogen 2.942 N/A TYR 20.A OH PRO 436.A O no hydrogen 2.650 N/A GLU 21.A N PRO 17.A O no hydrogen 3.268 N/A THR 22.A N GLU 18.A O no hydrogen 3.195 N/A THR 22.A OG1 GLU 18.A O no hydrogen 3.239 N/A LYS 23.A N GLN 19.A O no hydrogen 2.956 N/A TYR 24.A N TYR 20.A O no hydrogen 2.843 N/A TYR 24.A OH VAL 440.A O no hydrogen 2.812 N/A LYS 25.A N GLU 21.A O no hydrogen 3.019 N/A GLN 26.A N THR 22.A O no hydrogen 3.032 N/A SER 27.A N LYS 23.A O no hydrogen 2.880 N/A SER 27.A OG TYR 24.A O no hydrogen 2.719 N/A ILE 28.A N TYR 24.A O no hydrogen 3.126 N/A ILE 28.A N LYS 25.A O no hydrogen 3.300 N/A ASN 29.A N LYS 25.A O no hydrogen 2.909 N/A ASP 30.A N GLN 26.A O no hydrogen 2.757 N/A THR 33.A N ASP 30.A O no hydrogen 3.067 N/A THR 33.A N ASP 30.A OD1 no hydrogen 3.251 N/A THR 33.A OG1 ASP 30.A OD1 no hydrogen 3.125 N/A THR 33.A OG1 ASP 30.A OD2 no hydrogen 2.458 N/A PHE 34.A N ASP 30.A O no hydrogen 3.088 N/A TRP 35.A N PRO 31.A O no hydrogen 2.775 N/A GLY 36.A N ASP 32.A O no hydrogen 2.990 N/A GLU 37.A N THR 33.A O no hydrogen 3.064 N/A GLN 38.A N PHE 34.A O no hydrogen 2.912 N/A GLN 38.A NE2 TYR 287.A OH no hydrogen 3.458 N/A GLY 39.A N TRP 35.A O no hydrogen 2.947 N/A LYS 40.A N GLU 37.A O no hydrogen 3.337 N/A LYS 40.A NZ TYR 48.A OH no hydrogen 3.184 N/A ILE 41.A N GLN 38.A O no hydrogen 3.191 N/A LEU 42.A N GLY 39.A O no hydrogen 3.407 N/A ASP 43.A N ASN 76.A OD1 no hydrogen 2.650 N/A TRP 44.A NE1 GLY 39.A O no hydrogen 2.728 N/A ILE 45.A N THR 70.A O no hydrogen 2.793 N/A THR 46.A N THR 70.A O no hydrogen 3.181 N/A THR 46.A OG1 THR 70.A OG1 no hydrogen 2.656 N/A TYR 48.A OH GLY 36.A O no hydrogen 2.622 N/A GLN 49.A N ASP 68.A OD1 no hydrogen 2.535 N/A GLN 49.A NE2 TYR 48.A O no hydrogen 3.627 N/A LYS 50.A N ASP 68.A OD2 no hydrogen 3.489 N/A LYS 52.A N ASP 32.A OD1 no hydrogen 2.862 N/A LYS 52.A NZ THR 54.A OG1 no hydrogen 2.922 N/A LYS 52.A NZ ASP 464.A OD1 no hydrogen 3.254 N/A ASN 53.A N LYS 64.A O no hydrogen 3.124 N/A ASN 53.A ND2 GLU 67.A OE1 no hydrogen 2.785 N/A SER 55.A N SER 62.A O no hydrogen 2.676 N/A ALA 57.A N SER 55.A OG no hydrogen 3.259 N/A ASN 60.A N ALA 57.A O no hydrogen 2.818 N/A ASN 60.A ND2 PRO 58.A O no hydrogen 3.195 N/A VAL 61.A N GLU 481.A OE2 no hydrogen 2.808 N/A SER 62.A N SER 55.A O no hydrogen 2.932 N/A LYS 64.A N ASN 53.A O no hydrogen 3.169 N/A TRP 65.A N GLU 252.A OE2 no hydrogen 2.858 N/A TRP 65.A NE1 SER 465.A OG no hydrogen 3.288 N/A TYR 66.A N VAL 51.A O no hydrogen 2.993 N/A TYR 66.A OH TRP 35.A O no hydrogen 2.784 N/A GLY 69.A N TYR 66.A O no hydrogen 2.888 N/A THR 70.A N THR 46.A O no hydrogen 3.088 N/A THR 70.A N THR 46.A OG1 no hydrogen 2.913 N/A THR 70.A OG1 THR 46.A OG1 no hydrogen 2.656 N/A LEU 71.A N MET 249.A O no hydrogen 2.796 N/A ASN 76.A N ASN 72.A O no hydrogen 3.097 N/A ASN 76.A ND2 ASP 43.A O no hydrogen 2.949 N/A ASN 76.A ND2 ASN 72.A O no hydrogen 3.403 N/A CYS 77.A N LEU 73.A O no hydrogen 2.970 N/A CYS 77.A N ALA 74.A O no hydrogen 3.191 N/A CYS 77.A SG LEU 73.A O no hydrogen 3.084 N/A CYS 77.A SG TYR 314.A O no hydrogen 4.031 N/A ASP 79.A N ASP 79.A OD2 no hydrogen 2.533 N/A ARG 80.A N ALA 75.A O no hydrogen 3.015 N/A ARG 80.A NE ASN 76.A O no hydrogen 2.876 N/A ARG 80.A NH1 ILE 41.A O no hydrogen 2.967 N/A ARG 80.A NH1 ASP 43.A OD2 no hydrogen 3.075 N/A ARG 80.A NH2 ILE 41.A O no hydrogen 3.044 N/A ARG 80.A NH2 ALA 318.A O no hydrogen 2.683 N/A HIS 81.A N LEU 78.A O no hydrogen 2.806 N/A HIS 81.A NE2 ALA 318.A O no hydrogen 3.122 N/A LEU 82.A N ASP 79.A O no hydrogen 3.177 N/A GLN 83.A NE2 GLU 84.A OE1 no hydrogen 3.169 N/A ASN 85.A N HIS 81.A O no hydrogen 2.706 N/A GLY 86.A N LEU 82.A O no hydrogen 2.853 N/A ARG 88.A N ASN 85.A O no hydrogen 3.041 N/A ALA 90.A N ILE 104.A O no hydrogen 2.697 N/A ILE 91.A N ILE 104.A O no hydrogen 3.059 N/A ILE 92.A N THR 323.A O no hydrogen 2.926 N/A TRP 93.A N LYS 102.A O no hydrogen 2.866 N/A TRP 93.A NE1 MET 137.A O no hydrogen 2.869 N/A GLU 94.A N MET 325.A O no hydrogen 3.129 N/A GLY 95.A N GLN 100.A O no hydrogen 2.794 N/A ASP 96.A N GLU 327.A OE1 no hydrogen 2.812 N/A THR 98.A OG1 GLU 94.A OE2 no hydrogen 3.271 N/A SER 99.A N ASP 97.A OD1 no hydrogen 2.841 N/A SER 99.A OG ASP 97.A OD1 no hydrogen 2.669 N/A GLN 100.A N ASP 97.A O no hydrogen 2.793 N/A GLN 100.A NE2 SER 99.A OG no hydrogen 3.157 N/A LYS 102.A N TRP 93.A O no hydrogen 2.914 N/A ILE 104.A N ILE 91.A O no hydrogen 2.985 N/A SER 105.A N GLU 108.A OE1 no hydrogen 2.904 N/A SER 105.A OG GLY 86.A O no hydrogen 3.467 N/A SER 105.A OG GLU 108.A OE1 no hydrogen 3.233 N/A TYR 106.A N ARG 88.A O no hydrogen 2.956 N/A TYR 106.A OH LEU 317.A O no hydrogen 3.392 N/A TYR 106.A OH ALA 321.A O no hydrogen 2.701 N/A ARG 107.A N GLY 86.A O no hydrogen 2.925 N/A GLU 108.A N SER 105.A OG no hydrogen 3.036 N/A LEU 109.A N SER 105.A O no hydrogen 2.808 N/A HIS 110.A N TYR 106.A O no hydrogen 2.843 N/A ARG 111.A N ARG 107.A O no hydrogen 2.986 N/A ASP 112.A N GLU 108.A O no hydrogen 2.941 N/A VAL 113.A N LEU 109.A O no hydrogen 2.844 N/A CYS 114.A N HIS 110.A O no hydrogen 2.892 N/A CYS 114.A SG HIS 110.A O no hydrogen 3.434 N/A CYS 114.A SG HIS 244.A O no hydrogen 3.867 N/A ARG 115.A N ARG 111.A O no hydrogen 3.001 N/A ARG 115.A NH2 ASP 112.A OD1 no hydrogen 2.999 N/A PHE 116.A N ASP 112.A O no hydrogen 2.862 N/A ALA 117.A N VAL 113.A O no hydrogen 2.804 N/A ASN 118.A N CYS 114.A O no hydrogen 3.052 N/A ASN 118.A ND2 SER 241.A O no hydrogen 2.538 N/A ASN 118.A ND2 GLU 243.A O no hydrogen 3.015 N/A THR 119.A N ARG 115.A O no hydrogen 2.999 N/A THR 119.A OG1 ARG 115.A O no hydrogen 3.127 N/A LEU 120.A N PHE 116.A O no hydrogen 2.968 N/A LEU 121.A N ALA 117.A O no hydrogen 3.105 N/A ASP 122.A N ASN 118.A O no hydrogen 2.833 N/A LEU 123.A N THR 119.A O no hydrogen 3.024 N/A LEU 123.A N LEU 120.A O no hydrogen 3.008 N/A GLY 124.A N LEU 121.A O no hydrogen 2.903 N/A ILE 125.A N LEU 120.A O no hydrogen 2.928 N/A LYS 126.A N ASP 129.A OD2 no hydrogen 3.008 N/A LYS 127.A NZ ASP 253.A OD2 no hydrogen 2.848 N/A GLY 128.A N GLY 152.A O no hydrogen 3.000 N/A ASP 129.A N LYS 126.A O no hydrogen 3.002 N/A VAL 131.A N VAL 154.A O no hydrogen 2.922 N/A ALA 132.A N LEU 178.A O no hydrogen 2.911 N/A ILE 133.A N SER 156.A O no hydrogen 2.824 N/A TYR 134.A N ILE 180.A O no hydrogen 2.868 N/A TYR 134.A OH GLY 160.A O no hydrogen 3.402 N/A TYR 134.A OH PHE 162.A O no hydrogen 2.647 N/A VAL 138.A N PRO 136.A O no hydrogen 2.915 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.723 N/A ALA 141.A N VAL 138.A O no hydrogen 2.872 N/A VAL 143.A N PRO 139.A O no hydrogen 3.012 N/A ALA 144.A N GLU 140.A O no hydrogen 2.930 N/A MET 145.A N ALA 141.A O no hydrogen 3.052 N/A LEU 146.A N ALA 142.A O no hydrogen 2.911 N/A ALA 147.A N VAL 143.A O no hydrogen 2.924 N/A CYS 148.A N ALA 144.A O no hydrogen 3.073 N/A CYS 148.A SG ALA 144.A O no hydrogen 3.262 N/A ALA 149.A N MET 145.A O no hydrogen 3.086 N/A ARG 150.A N LEU 146.A O no hydrogen 2.772 N/A ARG 150.A NE HIS 244.A ND1 no hydrogen 2.922 N/A ARG 150.A NH1 ASP 79.A OD2 no hydrogen 3.112 N/A ARG 150.A NH2 ASP 79.A OD1 no hydrogen 2.892 N/A ARG 150.A NH2 HIS 244.A O no hydrogen 2.901 N/A ILE 151.A N ALA 147.A O no hydrogen 3.266 N/A GLY 152.A N ALA 149.A O no hydrogen 3.115 N/A ALA 153.A N CYS 148.A O no hydrogen 2.714 N/A VAL 154.A N ASP 129.A O no hydrogen 2.840 N/A HIS 155.A NE2 TYR 314.A OH no hydrogen 2.853 N/A SER 156.A N VAL 131.A O no hydrogen 2.721 N/A ILE 158.A N ILE 133.A O no hydrogen 2.547 N/A PHE 162.A N PHE 159.A O no hydrogen 3.011 N/A SER 163.A N ILE 583.A O no hydrogen 3.108 N/A SER 163.A OG LYS 581.A O no hydrogen 3.069 N/A ALA 166.A N SER 163.A OG no hydrogen 3.238 N/A VAL 167.A N SER 163.A O no hydrogen 2.881 N/A ALA 168.A N PRO 164.A O no hydrogen 2.872 N/A GLY 169.A N GLU 165.A O no hydrogen 3.040 N/A CYS 170.A N ALA 166.A O no hydrogen 3.299 N/A CYS 170.A N VAL 167.A O no hydrogen 3.139 N/A CYS 170.A SG ALA 166.A O no hydrogen 3.513 N/A ILE 171.A N VAL 167.A O no hydrogen 3.075 N/A ILE 172.A N ALA 168.A O no hydrogen 2.850 N/A ASP 173.A N GLY 169.A O no hydrogen 3.336 N/A SER 174.A N CYS 170.A O no hydrogen 3.012 N/A SER 174.A OG CYS 170.A O no hydrogen 2.967 N/A SER 174.A OG ILE 171.A O no hydrogen 3.537 N/A SER 174.A OG SER 176.A OG no hydrogen 2.778 N/A SER 175.A N ILE 171.A O no hydrogen 2.628 N/A SER 176.A OG SER 174.A OG no hydrogen 2.778 N/A ARG 177.A N VAL 130.A O no hydrogen 3.276 N/A ARG 177.A NH1 ASP 129.A OD2 no hydrogen 3.441 N/A ARG 177.A NH2 GLU 211.A OE2 no hydrogen 3.405 N/A VAL 179.A N HIS 212.A O no hydrogen 3.218 N/A ILE 180.A N ALA 132.A O no hydrogen 2.872 N/A THR 181.A N ILE 214.A O no hydrogen 3.010 N/A THR 181.A OG1 TYR 134.A O no hydrogen 2.565 N/A ALA 182.A N THR 181.A OG1 no hydrogen 2.770 N/A ASP 183.A N LEU 216.A O no hydrogen 2.936 N/A GLU 184.A N ASP 183.A OD1 no hydrogen 2.574 N/A GLY 185.A N ILE 192.A O no hydrogen 2.755 N/A ARG 187.A N ARG 190.A O no hydrogen 2.887 N/A ALA 188.A N ASP 96.A OD1 no hydrogen 2.646 N/A GLY 189.A N ASP 96.A OD2 no hydrogen 2.599 N/A ARG 190.A N ARG 187.A O no hydrogen 3.236 N/A ILE 192.A N GLY 185.A O no hydrogen 2.848 N/A LEU 194.A N ASP 183.A O no hydrogen 3.334 N/A LYS 195.A N ASP 183.A O no hydrogen 3.199 N/A LYS 195.A NZ ASP 199.A OD1 no hydrogen 2.665 N/A LYS 195.A NZ ASP 199.A OD2 no hydrogen 3.118 N/A LYS 195.A NZ ASP 224.A O no hydrogen 2.898 N/A LYS 195.A NZ ASP 230.A OD2 no hydrogen 3.329 N/A ASN 197.A ND2 TYR 134.A OH no hydrogen 3.009 N/A VAL 198.A N LEU 194.A O no hydrogen 3.052 N/A ASP 199.A N LYS 195.A O no hydrogen 3.056 N/A ASP 200.A N LYS 196.A O no hydrogen 3.025 N/A ALA 201.A N ASN 197.A O no hydrogen 2.874 N/A LEU 202.A N VAL 198.A O no hydrogen 2.749 N/A LYS 203.A N ASP 199.A O no hydrogen 3.170 N/A LYS 203.A N ASP 200.A O no hydrogen 3.147 N/A ASN 204.A N ALA 201.A O no hydrogen 3.271 N/A ASN 206.A N ASN 204.A OD1 no hydrogen 2.970 N/A ASN 206.A ND2 ASN 204.A OD1 no hydrogen 3.355 N/A VAL 207.A N ASN 204.A O no hydrogen 2.975 N/A SER 209.A OG SER 176.A O no hydrogen 2.742 N/A GLU 211.A N ARG 177.A O no hydrogen 2.858 N/A HIS 212.A ND1 ARG 229.A O no hydrogen 3.168 N/A VAL 213.A N ARG 229.A O no hydrogen 2.859 N/A ILE 214.A N VAL 179.A O no hydrogen 2.968 N/A VAL 215.A N LEU 231.A O no hydrogen 2.696 N/A LEU 216.A N THR 181.A O no hydrogen 2.883 N/A ARG 218.A N ASP 183.A OD1 no hydrogen 2.977 N/A ARG 218.A NE GLU 327.A OE2 no hydrogen 2.923 N/A ARG 218.A NH1 ARG 218.A O no hydrogen 2.804 N/A ARG 218.A NH2 GLU 327.A OE1 no hydrogen 2.967 N/A ARG 218.A NH2 GLU 327.A OE2 no hydrogen 3.158 N/A THR 219.A N ASP 183.A OD1 no hydrogen 3.043 N/A THR 219.A OG1 ASP 183.A OD1 no hydrogen 3.510 N/A THR 219.A OG1 GLU 184.A OE1 no hydrogen 2.667 N/A THR 219.A OG1 SER 221.A OG no hydrogen 3.022 N/A GLY 220.A N ASP 183.A OD2 no hydrogen 3.075 N/A SER 221.A N THR 219.A OG1 no hydrogen 3.305 N/A SER 221.A OG GLU 184.A OE1 no hydrogen 2.568 N/A SER 221.A OG THR 219.A OG1 no hydrogen 3.022 N/A GLN 226.A N ASP 230.A OD2 no hydrogen 2.838 N/A ARG 229.A NE ASP 230.A OD1 no hydrogen 2.901 N/A ARG 229.A NH2 ASP 199.A OD1 no hydrogen 2.982 N/A ARG 229.A NH2 ASP 230.A OD1 no hydrogen 3.137 N/A ARG 229.A NH2 ASP 230.A OD2 no hydrogen 3.104 N/A ASP 230.A N GLN 226.A O no hydrogen 2.955 N/A LEU 231.A N VAL 213.A O no hydrogen 2.697 N/A TRP 233.A N VAL 215.A O no hydrogen 2.681 N/A LEU 236.A N TRP 232.A O no hydrogen 3.207 N/A ILE 237.A N TRP 233.A O no hydrogen 3.059 N/A GLU 238.A N ARG 234.A O no hydrogen 3.305 N/A LYS 239.A N LEU 236.A O no hydrogen 2.931 N/A ALA 240.A N ILE 237.A O no hydrogen 3.322 N/A GLU 243.A N SER 241.A OG no hydrogen 2.957 N/A MET 249.A N LEU 71.A O no hydrogen 2.821 N/A ASN 250.A N ASP 253.A OD2 no hydrogen 2.612 N/A ALA 251.A N GLY 69.A O no hydrogen 3.054 N/A ASP 253.A N ASN 250.A O no hydrogen 3.072 N/A LEU 255.A N HIS 272.A O no hydrogen 2.799 N/A PHE 256.A N HIS 272.A O no hydrogen 3.331 N/A ILE 257.A N HIS 155.A O no hydrogen 3.166 N/A LEU 258.A N VAL 270.A O no hydrogen 2.859 N/A TYR 259.A OH ASP 173.A OD1 no hydrogen 2.740 N/A THR 260.A N LYS 268.A O no hydrogen 2.804 N/A THR 260.A OG1 LEU 258.A O no hydrogen 3.179 N/A SER 261.A OG ARG 522.A O no hydrogen 3.422 N/A SER 261.A OG GLU 527.A OE2 no hydrogen 2.361 N/A LYS 268.A N THR 260.A O no hydrogen 2.944 N/A VAL 270.A N LEU 258.A O no hydrogen 2.886 N/A VAL 270.A N LYS 268.A O no hydrogen 3.081 N/A LEU 271.A N THR 472.A O no hydrogen 2.810 N/A HIS 272.A N PHE 256.A O no hydrogen 3.030 N/A HIS 272.A NE2 THR 412.A O no hydrogen 2.646 N/A THR 273.A OG1 GLU 252.A OE1 no hydrogen 2.827 N/A THR 274.A N ALA 251.A O no hydrogen 3.255 N/A THR 274.A OG1 ASP 253.A O no hydrogen 2.997 N/A GLY 275.A N ALA 251.A O no hydrogen 2.836 N/A TYR 277.A OH SER 310.A OG no hydrogen 2.728 N/A LEU 278.A N THR 274.A O no hydrogen 3.002 N/A VAL 279.A N GLY 275.A O no hydrogen 2.951 N/A TYR 280.A N GLY 276.A O no hydrogen 2.844 N/A TYR 280.A OH PHE 417.A O no hydrogen 2.525 N/A ALA 281.A N TYR 277.A O no hydrogen 2.900 N/A ALA 282.A N LEU 278.A O no hydrogen 3.074 N/A THR 283.A N VAL 279.A O no hydrogen 2.948 N/A THR 283.A OG1 GLN 38.A OE1 no hydrogen 3.257 N/A THR 283.A OG1 VAL 279.A O no hydrogen 2.686 N/A THR 284.A N TYR 280.A O no hydrogen 2.982 N/A THR 284.A OG1 TYR 280.A O no hydrogen 2.498 N/A THR 284.A OG1 ALA 281.A O no hydrogen 3.015 N/A THR 284.A OG1 TYR 311.A OH no hydrogen 2.723 N/A PHE 285.A N ALA 281.A O no hydrogen 3.022 N/A LYS 286.A N ALA 282.A O no hydrogen 3.069 N/A TYR 287.A N THR 283.A O no hydrogen 3.084 N/A VAL 288.A N THR 284.A O no hydrogen 2.871 N/A PHE 289.A N PHE 285.A O no hydrogen 3.162 N/A TYR 291.A N LYS 286.A O no hydrogen 2.937 N/A HIS 292.A N ASP 295.A OD2 no hydrogen 2.745 N/A HIS 292.A ND1 ASP 290.A O no hydrogen 2.964 N/A ASP 295.A N HIS 292.A O no hydrogen 2.933 N/A ILE 296.A N ASN 348.A OD1 no hydrogen 2.848 N/A TYR 297.A N THR 322.A O no hydrogen 2.983 N/A TYR 297.A OH TYR 311.A O no hydrogen 2.625 N/A TRP 298.A N ILE 349.A O no hydrogen 2.781 N/A THR 300.A N TYR 351.A O no hydrogen 3.090 N/A THR 300.A OG1 TYR 351.A O no hydrogen 3.570 N/A THR 300.A OG1 THR 352.A OG1 no hydrogen 2.860 N/A GLY 304.A N ASP 302.A OD1 no hydrogen 2.817 N/A TRP 305.A N ASP 302.A O no hydrogen 3.080 N/A HIS 309.A N TRP 305.A O no hydrogen 3.127 N/A SER 310.A N VAL 306.A O no hydrogen 2.830 N/A SER 310.A OG TYR 277.A OH no hydrogen 2.728 N/A SER 310.A OG GLY 415.A O no hydrogen 2.713 N/A TYR 311.A N THR 307.A O no hydrogen 2.711 N/A TYR 311.A OH THR 284.A OG1 no hydrogen 2.723 N/A TYR 314.A N HIS 309.A O no hydrogen 3.222 N/A TYR 314.A OH HIS 155.A NE2 no hydrogen 2.853 N/A GLY 315.A N SER 310.A O no hydrogen 2.934 N/A LEU 317.A N LEU 313.A O no hydrogen 2.829 N/A ALA 318.A N TYR 314.A O no hydrogen 2.975 N/A CYS 319.A SG ALA 282.A O no hydrogen 3.384 N/A CYS 319.A SG GLY 315.A O no hydrogen 3.434 N/A GLY 320.A N LEU 317.A O no hydrogen 2.844 N/A ALA 321.A N PRO 316.A O no hydrogen 2.863 N/A THR 322.A OG1 THR 89.A O no hydrogen 2.567 N/A THR 323.A N ALA 90.A O no hydrogen 2.919 N/A THR 323.A OG1 LEU 312.A O no hydrogen 2.685 N/A LEU 324.A N TYR 297.A O no hydrogen 2.827 N/A MET 325.A N ILE 92.A O no hydrogen 2.836 N/A GLU 327.A N GLU 94.A O no hydrogen 2.906 N/A TRP 332.A N VAL 329.A O no hydrogen 3.426 N/A ALA 336.A N THR 334.A OG1 no hydrogen 3.384 N/A ARG 337.A N THR 334.A O no hydrogen 2.904 N/A ARG 337.A NH1 ASP 96.A O no hydrogen 2.859 N/A ARG 337.A NH1 TRP 332.A O no hydrogen 2.886 N/A ARG 337.A NH2 GLU 94.A OE2 no hydrogen 2.999 N/A ARG 337.A NH2 GLY 95.A O no hydrogen 2.965 N/A MET 338.A N PRO 330.A O no hydrogen 2.999 N/A CYS 339.A SG ALA 367.A O no hydrogen 3.551 N/A GLN 340.A N ALA 336.A O no hydrogen 2.972 N/A VAL 341.A N ARG 337.A O no hydrogen 2.976 N/A VAL 342.A N MET 338.A O no hydrogen 3.201 N/A ASP 343.A N CYS 339.A O no hydrogen 3.011 N/A LYS 344.A N GLN 340.A O no hydrogen 2.807 N/A LYS 344.A NZ GLU 94.A OE1 no hydrogen 3.036 N/A LYS 344.A NZ GLU 94.A OE2 no hydrogen 3.389 N/A LYS 344.A NZ THR 98.A O no hydrogen 2.730 N/A LYS 344.A NZ THR 98.A OG1 no hydrogen 3.238 N/A HIS 345.A N VAL 341.A O no hydrogen 3.013 N/A HIS 345.A NE2 GLU 94.A OE1 no hydrogen 2.809 N/A GLN 346.A N ASP 343.A O no hydrogen 3.322 N/A VAL 347.A N VAL 342.A O no hydrogen 2.890 N/A ASN 348.A N ILE 296.A O no hydrogen 2.872 N/A ASN 348.A ND2 SER 375.A O no hydrogen 2.723 N/A ILE 349.A N ILE 296.A O no hydrogen 3.178 N/A LEU 350.A N ILE 378.A O no hydrogen 3.040 N/A TYR 351.A N TRP 298.A O no hydrogen 2.920 N/A TYR 351.A OH THR 408.A OG1 no hydrogen 2.537 N/A THR 352.A N GLY 380.A O no hydrogen 3.027 N/A THR 352.A OG1 THR 300.A OG1 no hydrogen 2.860 N/A ALA 353.A N THR 352.A OG1 no hydrogen 2.703 N/A THR 355.A N GLU 384.A OE2 no hydrogen 3.213 N/A THR 355.A OG1 GLU 384.A OE1 no hydrogen 3.352 N/A THR 355.A OG1 GLU 384.A OE2 no hydrogen 2.935 N/A ILE 357.A N ALA 353.A O no hydrogen 3.043 N/A ARG 358.A N PRO 354.A O no hydrogen 2.766 N/A ARG 358.A NE ILE 550.A O no hydrogen 2.546 N/A ARG 358.A NH1 PRO 385.A O no hydrogen 3.511 N/A ARG 358.A NH2 GLU 384.A OE1 no hydrogen 2.544 N/A ARG 358.A NH2 ILE 550.A O no hydrogen 3.240 N/A ALA 359.A N THR 355.A O no hydrogen 2.870 N/A LEU 360.A N ALA 356.A O no hydrogen 2.963 N/A MET 361.A N ILE 357.A O no hydrogen 2.760 N/A ALA 362.A N ARG 358.A O no hydrogen 2.924 N/A GLU 363.A N LEU 360.A O no hydrogen 2.732 N/A GLY 364.A N MET 361.A O no hydrogen 3.033 N/A LYS 366.A N GLU 363.A O no hydrogen 3.069 N/A ALA 367.A N GLY 364.A O no hydrogen 3.339 N/A ILE 368.A N ASP 365.A O no hydrogen 3.056 N/A THR 371.A N ILE 368.A O no hydrogen 3.175 N/A THR 371.A OG1 ILE 368.A O no hydrogen 3.027 N/A ASP 372.A N ASP 343.A OD2 no hydrogen 2.633 N/A ARG 373.A N ASP 343.A OD1 no hydrogen 2.752 N/A ARG 373.A NE THR 371.A OG1 no hydrogen 2.763 N/A ARG 373.A NH1 LYS 397.A O no hydrogen 2.983 N/A ARG 373.A NH2 THR 371.A O no hydrogen 2.709 N/A SER 374.A N ASP 372.A OD1 no hydrogen 2.453 N/A SER 374.A OG ASP 372.A OD1 no hydrogen 2.655 N/A SER 374.A OG ASP 372.A OD2 no hydrogen 3.120 N/A SER 375.A OG VAL 347.A O no hydrogen 2.715 N/A LEU 376.A N ARG 373.A O no hydrogen 3.363 N/A ARG 377.A N ASN 348.A O no hydrogen 2.800 N/A ARG 377.A NH2 ASP 295.A OD1 no hydrogen 2.625 N/A ILE 378.A N ASN 348.A O no hydrogen 3.004 N/A LEU 379.A N PRO 404.A O no hydrogen 2.962 N/A GLY 380.A N LEU 350.A O no hydrogen 2.694 N/A SER 381.A N VAL 406.A O no hydrogen 2.901 N/A VAL 382.A N THR 352.A O no hydrogen 3.050 N/A ALA 390.A N ASN 387.A OD1 no hydrogen 2.892 N/A TRP 391.A N ASN 387.A O no hydrogen 2.921 N/A GLU 392.A N PRO 388.A O no hydrogen 2.832 N/A TRP 393.A N GLU 389.A O no hydrogen 2.952 N/A TYR 394.A N ALA 390.A O no hydrogen 2.877 N/A TYR 394.A OH GLY 380.A O no hydrogen 2.961 N/A TRP 395.A N TRP 391.A O no hydrogen 2.894 N/A LYS 396.A N GLU 392.A O no hydrogen 2.788 N/A LYS 397.A N TRP 393.A O no hydrogen 2.768 N/A LYS 397.A NZ ASP 365.A OD1 no hydrogen 2.970 N/A ILE 398.A N TYR 394.A O no hydrogen 3.041 N/A GLY 399.A N TYR 394.A O no hydrogen 3.123 N/A LYS 400.A NZ ASP 372.A O no hydrogen 3.385 N/A LYS 400.A NZ SER 374.A OG no hydrogen 3.158 N/A GLU 401.A N TRP 395.A O no hydrogen 2.863 N/A LYS 402.A N GLY 399.A O no hydrogen 2.873 N/A CYS 403.A SG GLY 399.A O no hydrogen 3.572 N/A VAL 406.A N LEU 379.A O no hydrogen 2.667 N/A THR 408.A N SER 381.A O no hydrogen 2.980 N/A THR 408.A OG1 TYR 351.A OH no hydrogen 2.537 N/A THR 408.A OG1 SER 381.A O no hydrogen 3.409 N/A TRP 409.A N ILE 419.A O no hydrogen 3.018 N/A TRP 409.A NE1 ASP 496.A OD2 no hydrogen 3.053 N/A GLN 411.A N THR 414.A OG1 no hydrogen 3.147 N/A GLN 411.A NE2 SER 494.A O no hydrogen 2.853 N/A GLU 413.A N GLU 413.A OE1 no hydrogen 2.605 N/A THR 414.A N GLN 411.A O no hydrogen 2.863 N/A THR 414.A OG1 GLN 411.A O no hydrogen 3.065 N/A THR 414.A OG1 GLY 416.A O no hydrogen 2.733 N/A GLY 415.A N THR 412.A O no hydrogen 3.406 N/A PHE 417.A N TYR 311.A OH no hydrogen 3.019 N/A MET 418.A N TRP 409.A O no hydrogen 3.043 N/A ILE 419.A N TRP 409.A O no hydrogen 3.317 N/A THR 420.A N ARG 435.A O no hydrogen 2.937 N/A THR 420.A OG1 PRO 421.A O no hydrogen 3.059 N/A ALA 425.A N LEU 422.A O no hydrogen 2.824 N/A ILE 426.A N LEU 422.A O no hydrogen 2.890 N/A LEU 428.A N HIS 3.A O no hydrogen 3.065 N/A LYS 429.A NZ ASP 501.A OD2 no hydrogen 2.912 N/A LYS 429.A NZ ASP 503.A OD2 no hydrogen 2.899 N/A SER 432.A N LYS 429.A O no hydrogen 2.881 N/A SER 432.A OG TYR 506.A O no hydrogen 2.909 N/A ALA 433.A N TYR 506.A O no hydrogen 3.261 N/A THR 434.A N SER 432.A OG no hydrogen 3.193 N/A THR 434.A OG1 ALA 433.A O no hydrogen 2.376 N/A ARG 435.A NH1 ASP 503.A O no hydrogen 3.394 N/A ARG 435.A NH2 ASP 503.A O no hydrogen 2.986 N/A PHE 437.A N MET 418.A O no hydrogen 2.657 N/A GLY 439.A N SER 27.A OG no hydrogen 2.826 N/A VAL 440.A N PHE 437.A O no hydrogen 3.079 N/A ALA 443.A N VAL 461.A O no hydrogen 2.915 N/A VAL 445.A N ASN 459.A O no hydrogen 3.014 N/A ASP 446.A N HIS 450.A O no hydrogen 3.001 N/A GLU 448.A N ASP 446.A OD1 no hydrogen 2.610 N/A GLY 449.A N ASP 446.A O no hydrogen 2.987 N/A HIS 450.A N ASP 446.A OD1 no hydrogen 2.907 N/A GLN 452.A N LEU 444.A O no hydrogen 2.728 N/A THR 456.A N ARG 500.A O no hydrogen 3.120 N/A THR 456.A OG1 GLU 457.A O no hydrogen 3.412 N/A GLU 457.A N THR 456.A OG1 no hydrogen 2.556 N/A GLY 458.A N ALA 498.A O no hydrogen 3.054 N/A ASN 459.A N VAL 445.A O no hydrogen 2.796 N/A ASN 459.A ND2 ASN 447.A OD1 no hydrogen 3.291 N/A LEU 460.A N ASP 496.A O no hydrogen 2.958 N/A VAL 461.A N ALA 443.A O no hydrogen 2.964 N/A ILE 462.A N TYR 492.A O no hydrogen 2.932 N/A THR 463.A N GLN 441.A O no hydrogen 2.840 N/A THR 463.A OG1 GLN 441.A O no hydrogen 3.453 N/A SER 465.A N ASP 464.A OD1 no hydrogen 2.762 N/A SER 465.A OG TRP 466.A O no hydrogen 3.465 N/A SER 465.A OG GLN 469.A OE1 no hydrogen 2.735 N/A TRP 466.A NE1 THR 414.A O no hydrogen 2.863 N/A GLN 469.A N TRP 466.A O no hydrogen 3.090 N/A ALA 470.A N GLU 413.A O no hydrogen 2.876 N/A ARG 471.A N LEU 271.A O no hydrogen 2.898 N/A ARG 471.A NE GLU 252.A OE1 no hydrogen 2.983 N/A ARG 471.A NE GLU 252.A OE2 no hydrogen 3.298 N/A ARG 471.A NH1 PRO 467.A O no hydrogen 2.903 N/A ARG 471.A NH1 GLN 469.A O no hydrogen 2.653 N/A ARG 471.A NH2 GLU 252.A OE2 no hydrogen 3.023 N/A ARG 471.A NH2 PRO 467.A O no hydrogen 3.404 N/A THR 472.A OG1 LEU 473.A O no hydrogen 3.517 N/A THR 472.A OG1 HIS 477.A ND1 no hydrogen 2.993 N/A PHE 474.A N GLY 269.A O no hydrogen 2.760 N/A ASP 476.A N LEU 473.A O no hydrogen 2.776 N/A HIS 477.A ND1 THR 472.A OG1 no hydrogen 2.993 N/A HIS 477.A NE2 VAL 61.A O no hydrogen 3.014 N/A ARG 479.A N ASP 476.A OD1 no hydrogen 3.007 N/A PHE 480.A N ASP 476.A O no hydrogen 3.241 N/A GLU 481.A N HIS 477.A O no hydrogen 2.970 N/A GLN 482.A N GLU 478.A O no hydrogen 2.950 N/A THR 483.A N ARG 479.A O no hydrogen 2.766 N/A THR 483.A OG1 ARG 479.A O no hydrogen 2.830 N/A TYR 484.A N PHE 480.A O no hydrogen 3.217 N/A TYR 484.A OH GLU 413.A OE2 no hydrogen 2.818 N/A PHE 485.A N GLU 481.A O no hydrogen 2.819 N/A SER 486.A OG GLN 482.A O no hydrogen 2.529 N/A MET 491.A N PHE 488.A O no hydrogen 3.013 N/A TYR 492.A N ILE 462.A O no hydrogen 3.074 N/A TYR 492.A OH GLN 411.A OE1 no hydrogen 2.782 N/A PHE 493.A N TYR 484.A O no hydrogen 2.844 N/A SER 494.A N LEU 460.A O no hydrogen 3.382 N/A SER 494.A OG LEU 460.A O no hydrogen 2.704 N/A ASP 496.A N SER 494.A OG no hydrogen 3.211 N/A GLY 497.A N GLY 510.A O no hydrogen 2.809 N/A ALA 498.A N GLY 458.A O no hydrogen 3.095 N/A ARG 499.A N TRP 507.A O no hydrogen 2.880 N/A ARG 500.A N THR 456.A O no hydrogen 2.748 N/A ARG 500.A NE GLY 454.A O no hydrogen 3.437 N/A ARG 500.A NH1 TYR 506.A OH no hydrogen 2.947 N/A ARG 500.A NH2 GLN 452.A O no hydrogen 2.666 N/A ARG 500.A NH2 GLY 454.A O no hydrogen 3.303 N/A ASP 501.A N TYR 505.A O no hydrogen 3.072 N/A ASP 503.A N ASP 501.A OD1 no hydrogen 2.703 N/A GLY 504.A N ASP 501.A O no hydrogen 2.867 N/A TYR 505.A N ASP 501.A OD1 no hydrogen 3.119 N/A TYR 505.A OH GLU 427.A O no hydrogen 2.736 N/A TYR 506.A N THR 434.A O no hydrogen 2.850 N/A TRP 507.A N ARG 499.A O no hydrogen 2.814 N/A TRP 507.A NE1 ASP 501.A OD2 no hydrogen 2.952 N/A THR 509.A N GLY 497.A O no hydrogen 2.971 N/A ARG 511.A NE ASP 513.A OD2 no hydrogen 3.041 N/A ARG 511.A NH2 ASP 513.A OD1 no hydrogen 2.646 N/A ARG 511.A NH2 ASP 513.A OD2 no hydrogen 3.536 N/A VAL 512.A N GLY 495.A O no hydrogen 2.729 N/A ASP 514.A N SER 263.A OG no hydrogen 3.030 N/A LEU 516.A N LEU 523.A O no hydrogen 2.599 N/A ASN 517.A N GLN 553.A OE1 no hydrogen 2.870 N/A ASN 517.A ND2 GLU 384.A OE1 no hydrogen 3.195 N/A VAL 518.A N HIS 521.A O no hydrogen 2.931 N/A SER 519.A N LYS 551.A O no hydrogen 2.719 N/A HIS 521.A N VAL 518.A O no hydrogen 2.963 N/A HIS 521.A ND1 VAL 518.A O no hydrogen 2.875 N/A ARG 522.A NE SER 261.A O no hydrogen 2.903 N/A ARG 522.A NH1 GLU 413.A OE1 no hydrogen 3.018 N/A ARG 522.A NH1 GLU 413.A OE2 no hydrogen 3.268 N/A ARG 522.A NH2 SER 261.A O no hydrogen 3.232 N/A ARG 522.A NH2 GLU 413.A OE2 no hydrogen 2.696 N/A LEU 523.A N LEU 516.A O no hydrogen 3.258 N/A GLY 524.A N GLU 527.A OE2 no hydrogen 3.113 N/A THR 525.A N ASP 514.A O no hydrogen 3.030 N/A THR 525.A OG1 ASP 514.A O no hydrogen 3.260 N/A ILE 528.A N GLY 524.A O no hydrogen 3.419 N/A GLU 529.A N THR 525.A O no hydrogen 2.991 N/A SER 530.A N ALA 526.A O no hydrogen 2.951 N/A SER 530.A OG ALA 526.A O no hydrogen 3.019 N/A ALA 531.A N GLU 527.A O no hydrogen 3.225 N/A LEU 532.A N ILE 528.A O no hydrogen 3.113 N/A VAL 533.A N GLU 529.A O no hydrogen 2.871 N/A ALA 534.A N SER 530.A O no hydrogen 2.909 N/A HIS 535.A N LEU 532.A O no hydrogen 2.951 N/A HIS 535.A NE2 GLU 574.A OE2 no hydrogen 2.699 N/A LYS 537.A N HIS 535.A ND1 no hydrogen 2.958 N/A ILE 538.A N HIS 535.A O no hydrogen 2.925 N/A ALA 539.A N THR 560.A O no hydrogen 2.851 N/A GLU 540.A N THR 560.A O no hydrogen 3.381 N/A ALA 542.A N TYR 558.A O no hydrogen 2.969 N/A VAL 543.A N GLU 529.A OE2 no hydrogen 2.619 N/A VAL 544.A N TYR 556.A O no hydrogen 2.964 N/A ILE 546.A N ALA 554.A O no hydrogen 3.007 N/A HIS 548.A N GLY 552.A O no hydrogen 2.977 N/A LYS 551.A NZ ASP 590.A OD1 no hydrogen 3.192 N/A GLY 552.A N HIS 548.A O no hydrogen 3.066 N/A ALA 554.A N ILE 546.A O no hydrogen 2.704 N/A ILE 555.A N ASP 590.A OD2 no hydrogen 2.969 N/A TYR 556.A N VAL 544.A O no hydrogen 2.879 N/A TYR 556.A OH HIS 593.A ND1 no hydrogen 2.823 N/A ALA 557.A N VAL 591.A O no hydrogen 3.023 N/A TYR 558.A N ALA 542.A O no hydrogen 2.859 N/A TYR 558.A OH LEU 611.A O no hydrogen 2.742 N/A VAL 559.A N HIS 593.A O no hydrogen 2.797 N/A THR 560.A N GLU 540.A O no hydrogen 2.854 N/A THR 560.A OG1 THR 595.A O no hydrogen 2.997 N/A ASN 562.A N LYS 537.A O no hydrogen 2.896 N/A GLU 565.A N ASN 562.A O no hydrogen 3.316 N/A LEU 571.A N SER 568.A OG no hydrogen 3.218 N/A TYR 572.A N SER 568.A O no hydrogen 2.853 N/A ALA 573.A N PRO 569.A O no hydrogen 3.032 N/A GLU 574.A N GLU 570.A O no hydrogen 2.855 N/A VAL 575.A N LEU 571.A O no hydrogen 2.902 N/A ARG 576.A N TYR 572.A O no hydrogen 3.351 N/A ARG 576.A NH1 PRO 589.A O no hydrogen 2.884 N/A ASN 577.A N ALA 573.A O no hydrogen 3.133 N/A TRP 578.A N VAL 575.A O no hydrogen 2.943 N/A TRP 578.A NE1 ALA 531.A O no hydrogen 2.689 N/A VAL 579.A N VAL 575.A O no hydrogen 3.172 N/A ARG 580.A N ARG 576.A O no hydrogen 3.204 N/A LYS 581.A N ASN 577.A O no hydrogen 2.983 N/A LYS 581.A NZ GLU 582.A OE2 no hydrogen 2.697 N/A GLU 582.A N TRP 578.A O no hydrogen 2.770 N/A ILE 583.A N VAL 579.A O no hydrogen 2.798 N/A GLY 584.A N VAL 579.A O no hydrogen 3.353 N/A ALA 587.A N GLY 584.A O no hydrogen 3.033 N/A THR 588.A N PRO 585.A O no hydrogen 3.115 N/A THR 588.A OG1 PRO 585.A O no hydrogen 3.002 N/A ASP 590.A N ILE 555.A O no hydrogen 2.982 N/A VAL 591.A N ILE 555.A O no hydrogen 3.366 N/A LEU 592.A N TYR 572.A OH no hydrogen 3.341 N/A HIS 593.A N ALA 557.A O no hydrogen 2.746 N/A HIS 593.A ND1 TYR 556.A OH no hydrogen 2.823 N/A HIS 593.A NE2 GLU 631.A OE1 no hydrogen 2.802 N/A THR 595.A N VAL 559.A O no hydrogen 2.911 N/A THR 595.A OG1 GLU 631.A OE1 no hydrogen 2.707 N/A THR 595.A OG1 GLU 631.A OE2 no hydrogen 3.531 N/A SER 597.A N THR 595.A OG1 no hydrogen 3.159 N/A SER 597.A OG THR 595.A OG1 no hydrogen 2.918 N/A LYS 600.A NZ GLU 540.A OE1 no hydrogen 3.055 N/A LYS 600.A NZ GLU 540.A OE2 no hydrogen 2.931 N/A THR 601.A N LYS 605.A O no hydrogen 2.778 N/A THR 601.A OG1 LYS 605.A O no hydrogen 3.092 N/A GLY 604.A N THR 601.A O no hydrogen 2.639 N/A MET 607.A N PRO 599.A O no hydrogen 3.256 N/A ARG 608.A NE GLU 529.A OE2 no hydrogen 2.898 N/A ARG 608.A NH2 GLU 529.A OE1 no hydrogen 2.930 N/A ARG 608.A NH2 GLU 529.A OE2 no hydrogen 3.548 N/A ARG 612.A N ARG 608.A O no hydrogen 2.997 N/A LYS 613.A N ARG 609.A O no hydrogen 3.291 N/A ILE 614.A N ILE 610.A O no hydrogen 3.214 N/A ALA 615.A N LEU 611.A O no hydrogen 3.084 N/A ALA 616.A N ARG 612.A O no hydrogen 3.327 N/A ALA 616.A N LYS 613.A O no hydrogen 3.072 N/A GLY 617.A N LYS 613.A O no hydrogen 3.187 N/A ASP 618.A N LYS 613.A O no hydrogen 3.236 N/A ALA 620.A N LYS 600.A O no hydrogen 3.049 N/A VAL 624.A N ASP 621.A O no hydrogen 3.154 N/A VAL 625.A N PRO 622.A O no hydrogen 3.383 N/A LYS 627.A N GLY 623.A O no hydrogen 3.451 N/A LEU 628.A N VAL 624.A O no hydrogen 2.733 N/A LEU 629.A N VAL 625.A O no hydrogen 2.812 N/A GLU 630.A N GLU 626.A O no hydrogen 3.234 N/A GLU 630.A N LYS 627.A O no hydrogen 3.194 N/A GLU 631.A N LYS 627.A O no hydrogen 3.005 N/A LYS 632.A N LEU 628.A O no hydrogen 2.994 N/A GLN 633.A N LEU 629.A O no hydrogen 3.136 N/A ALA 634.A N GLU 630.A O no hydrogen 3.130 N/A ALA 634.A N GLU 631.A O no hydrogen 3.315 N/A