Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1s0i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N GLU 374.A OE2 no hydrogen 2.942 N/A SER 5.A N ALA 2.A O no hydrogen 2.913 N/A SER 5.A OG ALA 2.A O no hydrogen 3.269 N/A SER 5.A OG GLU 374.A OE1 no hydrogen 2.669 N/A SER 6.A N ARG 370.A O no hydrogen 3.295 N/A ARG 7.A NH1 GLU 338.A OE1 no hydrogen 2.682 N/A ARG 7.A NH2 GLU 338.A OE1 no hydrogen 3.506 N/A ARG 7.A NH2 GLU 338.A OE2 no hydrogen 2.826 N/A VAL 8.A N PHE 368.A O no hydrogen 3.109 N/A LEU 10.A N LEU 366.A O no hydrogen 2.901 N/A PHE 11.A N LEU 366.A O no hydrogen 3.020 N/A LYS 12.A N SER 16.A OG no hydrogen 2.784 N/A LYS 12.A NZ GLU 9.A O no hydrogen 2.746 N/A ARG 13.A N SER 365.A OG no hydrogen 2.889 N/A ARG 13.A NH1 VAL 363.A O no hydrogen 2.987 N/A GLN 14.A N VAL 31.A O no hydrogen 2.758 N/A GLN 14.A N HIS 32.A O no hydrogen 3.263 N/A SER 15.A N LYS 12.A O no hydrogen 3.198 N/A SER 16.A N LYS 12.A O no hydrogen 2.900 N/A SER 16.A OG LYS 12.A O no hydrogen 3.474 N/A VAL 18.A N ARG 29.A O no hydrogen 2.968 N/A PHE 20.A N THR 27.A O no hydrogen 2.826 N/A LYS 22.A N LYS 25.A O no hydrogen 2.837 N/A LYS 25.A N LYS 22.A O no hydrogen 2.966 N/A THR 27.A N PHE 20.A O no hydrogen 2.964 N/A ARG 29.A N VAL 18.A O no hydrogen 2.858 N/A ARG 29.A NH2 GLU 55.A OE2 no hydrogen 2.889 N/A VAL 31.A N SER 16.A O no hydrogen 3.209 N/A HIS 32.A N TYR 54.A O no hydrogen 3.065 N/A HIS 32.A ND1 SER 33.A OG no hydrogen 2.736 N/A SER 33.A N ARG 53.A O no hydrogen 3.018 N/A SER 33.A OG HIS 32.A ND1 no hydrogen 2.736 N/A PHE 34.A N TYR 364.A O no hydrogen 2.886 N/A ARG 35.A N ASP 51.A O no hydrogen 3.262 N/A ARG 35.A NE GLU 357.A OE1 no hydrogen 2.769 N/A ARG 35.A NH1 GLU 357.A OE1 no hydrogen 3.288 N/A ARG 35.A NH1 GLU 357.A OE2 no hydrogen 3.099 N/A LEU 36.A N GLU 357.A OE1 no hydrogen 2.987 N/A ALA 38.A N ILE 49.A O no hydrogen 2.874 N/A LEU 39.A N SER 344.A OG no hydrogen 2.828 N/A VAL 40.A N VAL 47.A O no hydrogen 2.859 N/A VAL 42.A N VAL 45.A O no hydrogen 2.840 N/A GLY 44.A N ASN 41.A OD1 no hydrogen 2.807 N/A VAL 45.A N VAL 42.A O no hydrogen 2.914 N/A MET 46.A N SER 70.A O no hydrogen 2.922 N/A VAL 47.A N VAL 40.A O no hydrogen 2.882 N/A ALA 48.A N LYS 68.A O no hydrogen 2.751 N/A ILE 49.A N ALA 38.A O no hydrogen 2.787 N/A ALA 50.A N VAL 66.A O no hydrogen 3.022 N/A ASP 51.A N ARG 35.A O no hydrogen 2.762 N/A ALA 52.A N ASP 64.A O no hydrogen 2.771 N/A ARG 53.A N SER 33.A O no hydrogen 2.833 N/A ARG 53.A NE ASP 51.A OD2 no hydrogen 2.907 N/A ARG 53.A NH1 SER 57.A O no hydrogen 2.756 N/A ARG 53.A NH2 ASP 51.A OD2 no hydrogen 2.856 N/A TYR 54.A N LEU 62.A O no hydrogen 3.131 N/A TYR 54.A OH ASP 64.A OD2 no hydrogen 2.674 N/A SER 57.A OG GLU 362.A O no hydrogen 2.665 N/A PHE 58.A N THR 56.A OG1 no hydrogen 3.039 N/A ASN 60.A ND2 ARG 117.A O no hydrogen 3.084 N/A SER 61.A OG PHE 58.A O no hydrogen 2.739 N/A ILE 63.A N SER 92.A O no hydrogen 3.314 N/A ASP 64.A N ALA 52.A O no hydrogen 3.158 N/A THR 65.A N ILE 83.A O no hydrogen 2.908 N/A VAL 66.A N ALA 50.A O no hydrogen 2.848 N/A ALA 67.A N GLN 80.A O no hydrogen 2.886 N/A LYS 68.A N ALA 48.A O no hydrogen 2.841 N/A LYS 68.A NZ THR 79.A OG1 no hydrogen 2.619 N/A TYR 69.A N GLU 78.A O no hydrogen 2.973 N/A SER 70.A N MET 46.A O no hydrogen 2.849 N/A SER 70.A OG ASP 72.A OD1 no hydrogen 2.612 N/A SER 70.A OG THR 76.A O no hydrogen 2.804 N/A ASP 72.A N SER 70.A OG no hydrogen 3.148 N/A GLY 74.A N SER 70.A OG no hydrogen 2.864 N/A GLU 75.A N ASP 72.A O no hydrogen 3.361 N/A THR 76.A N ASP 72.A OD1 no hydrogen 2.881 N/A THR 76.A OG1 ASP 72.A OD1 no hydrogen 3.501 N/A THR 76.A OG1 ASP 72.A OD2 no hydrogen 2.750 N/A TRP 77.A NE1 GLY 74.A O no hydrogen 2.980 N/A GLU 78.A N TYR 69.A O no hydrogen 2.897 N/A GLN 80.A N ALA 67.A O no hydrogen 2.910 N/A GLN 80.A NE2 ILE 151.A O no hydrogen 3.215 N/A ALA 82.A N THR 65.A O no hydrogen 2.781 N/A ILE 83.A N THR 65.A O no hydrogen 3.245 N/A ASN 85.A N ASP 64.A OD1 no hydrogen 2.959 N/A SER 86.A OG ASN 114.A OD1 no hydrogen 2.780 N/A ARG 87.A NE GLU 21.A O no hydrogen 2.869 N/A ARG 87.A NH1 ASP 64.A OD1 no hydrogen 2.941 N/A ARG 87.A NH1 ASP 64.A OD2 no hydrogen 3.567 N/A ARG 87.A NH2 GLU 21.A O no hydrogen 2.887 N/A ARG 87.A NH2 ASP 64.A OD2 no hydrogen 2.891 N/A ALA 88.A N SER 86.A OG no hydrogen 3.134 N/A SER 89.A N SER 92.A OG no hydrogen 2.873 N/A SER 89.A OG ASN 114.A O no hydrogen 2.672 N/A VAL 91.A N SER 89.A OG no hydrogen 3.082 N/A SER 92.A N SER 89.A O no hydrogen 3.217 N/A SER 92.A OG SER 86.A OG no hydrogen 3.257 N/A SER 92.A OG SER 89.A O no hydrogen 3.347 N/A SER 92.A OG ASN 114.A O no hydrogen 2.671 N/A ARG 93.A N TYR 113.A O no hydrogen 3.009 N/A ARG 93.A NH1 VAL 91.A O no hydrogen 2.867 N/A ARG 93.A NH1 SER 116.A O no hydrogen 2.868 N/A ARG 93.A NH2 SER 116.A O no hydrogen 2.895 N/A VAL 94.A N ILE 63.A O no hydrogen 3.164 N/A VAL 95.A N GLY 111.A O no hydrogen 2.834 N/A THR 98.A N LEU 109.A O no hydrogen 2.917 N/A THR 98.A OG1 ASP 96.A O no hydrogen 3.182 N/A VAL 99.A N GLY 180.A O no hydrogen 2.857 N/A ILE 100.A N TYR 107.A O no hydrogen 2.860 N/A LYS 102.A N LYS 105.A O no hydrogen 2.941 N/A LYS 102.A NZ GLY 188.A O no hydrogen 2.788 N/A LYS 102.A NZ GLU 213.A OE1 no hydrogen 2.845 N/A LYS 102.A NZ GLU 213.A OE2 no hydrogen 3.477 N/A ASN 104.A ND2 GLU 137.A OE2 no hydrogen 3.282 N/A ASN 104.A ND2 VAL 138.A O no hydrogen 2.883 N/A LYS 105.A N LYS 102.A O no hydrogen 2.848 N/A LEU 106.A N GLY 136.A O no hydrogen 2.723 N/A TYR 107.A N ILE 100.A O no hydrogen 2.762 N/A VAL 108.A N ALA 134.A O no hydrogen 2.845 N/A LEU 109.A N THR 98.A O no hydrogen 2.903 N/A VAL 110.A N LEU 132.A O no hydrogen 2.900 N/A GLY 111.A N VAL 95.A O no hydrogen 3.145 N/A SER 112.A N ASP 130.A O no hydrogen 2.835 N/A TYR 113.A N ARG 93.A O no hydrogen 2.928 N/A ASN 114.A N ASP 128.A O no hydrogen 3.360 N/A ASN 114.A N ASP 128.A OD1 no hydrogen 3.122 N/A SER 115.A N ASP 128.A OD1 no hydrogen 2.775 N/A SER 115.A N ASP 128.A OD2 no hydrogen 3.330 N/A SER 116.A N ASP 128.A OD2 no hydrogen 2.806 N/A SER 116.A OG SER 118.A O no hydrogen 3.444 N/A ARG 117.A NH2 SER 115.A O no hydrogen 2.916 N/A SER 118.A N SER 116.A OG no hydrogen 2.948 N/A SER 122.A N TYR 119.A O no hydrogen 2.895 N/A SER 122.A OG TYR 119.A O no hydrogen 2.656 N/A HIS 123.A N TRP 120.A O no hydrogen 3.165 N/A ARG 127.A N ASP 125.A OD1 no hydrogen 3.213 N/A ARG 127.A NE ASP 125.A OD1 no hydrogen 2.947 N/A ARG 127.A NE ASP 125.A OD2 no hydrogen 3.410 N/A ARG 127.A NH2 ASP 125.A OD2 no hydrogen 2.925 N/A TRP 129.A N ALA 126.A O no hydrogen 2.990 N/A TRP 129.A NE1 PHE 175.A O no hydrogen 2.932 N/A ASP 130.A N SER 112.A O no hydrogen 2.965 N/A ILE 131.A N ASP 130.A OD1 no hydrogen 2.758 N/A LEU 132.A N VAL 110.A O no hydrogen 2.798 N/A LEU 133.A N VAL 157.A O no hydrogen 2.792 N/A ALA 134.A N VAL 108.A O no hydrogen 2.872 N/A GLY 136.A N LEU 106.A O no hydrogen 2.803 N/A GLU 137.A N LYS 152.A O no hydrogen 2.927 N/A VAL 138.A N ASN 104.A O no hydrogen 2.785 N/A THR 139.A N SER 150.A O no hydrogen 2.872 N/A LYS 140.A NZ ASP 43.A O no hydrogen 2.819 N/A SER 141.A N THR 148.A O no hydrogen 2.923 N/A THR 148.A N SER 141.A O no hydrogen 2.753 N/A THR 148.A OG1 SER 141.A O no hydrogen 3.080 N/A SER 150.A N THR 139.A O no hydrogen 2.982 N/A LYS 152.A N GLU 137.A O no hydrogen 2.976 N/A TRP 153.A NE1 GLN 80.A OE1 no hydrogen 2.669 N/A GLY 154.A N VAL 135.A O no hydrogen 2.907 N/A VAL 157.A N LEU 133.A O no hydrogen 2.898 N/A SER 158.A OG ASP 130.A OD1 no hydrogen 2.738 N/A SER 158.A OG ASP 130.A OD2 no hydrogen 3.510 N/A LEU 159.A N ILE 131.A O no hydrogen 2.843 N/A LYS 160.A N SER 158.A OG no hydrogen 3.126 N/A LYS 160.A NZ TRP 129.A O no hydrogen 2.976 N/A PHE 162.A N LEU 159.A O no hydrogen 2.916 N/A PHE 163.A N LYS 160.A O no hydrogen 3.034 N/A MET 167.A N MET 170.A O no hydrogen 3.103 N/A MET 170.A N MET 167.A O no hydrogen 2.835 N/A THR 172.A N ALA 165.A O no hydrogen 2.948 N/A THR 172.A OG1 PRO 164.A O no hydrogen 2.642 N/A ASN 173.A N THR 197.A O no hydrogen 2.897 N/A ASN 173.A ND2 HIS 123.A O no hydrogen 3.004 N/A ASN 173.A ND2 ASN 198.A O no hydrogen 3.455 N/A GLN 174.A N THR 197.A OG1 no hydrogen 3.024 N/A LEU 176.A N GLN 195.A O no hydrogen 2.913 N/A GLY 178.A N PRO 193.A O no hydrogen 3.106 N/A ALA 179.A N THR 98.A OG1 no hydrogen 2.869 N/A ALA 182.A N VAL 99.A O no hydrogen 2.739 N/A ILE 183.A N VAL 191.A O no hydrogen 3.340 N/A ALA 185.A N ASN 189.A O no hydrogen 2.783 N/A SER 186.A N GLU 235.A OE1 no hydrogen 2.712 N/A SER 186.A OG GLU 235.A OE1 no hydrogen 3.344 N/A SER 186.A OG GLU 235.A OE2 no hydrogen 3.554 N/A GLY 188.A N ALA 185.A O no hydrogen 2.840 N/A ASN 189.A N ASN 187.A OD1 no hydrogen 2.941 N/A LEU 190.A N SER 210.A O no hydrogen 3.068 N/A VAL 191.A N ILE 183.A O no hydrogen 2.822 N/A TYR 192.A N PHE 208.A O no hydrogen 2.831 N/A TYR 192.A OH THR 98.A O no hydrogen 3.388 N/A TYR 192.A OH TYR 107.A O no hydrogen 2.845 N/A VAL 194.A N LYS 206.A O no hydrogen 2.862 N/A GLN 195.A N LEU 176.A O no hydrogen 2.905 N/A GLN 195.A NE2 GLY 177.A O no hydrogen 2.932 N/A VAL 196.A N PHE 204.A O no hydrogen 2.792 N/A THR 197.A N GLN 174.A O no hydrogen 2.841 N/A THR 197.A OG1 GLN 174.A O no hydrogen 3.380 N/A ASN 198.A N GLN 202.A O no hydrogen 3.078 N/A ASN 198.A ND2 GLN 202.A OE1 no hydrogen 2.908 N/A LYS 199.A N HIS 171.A O no hydrogen 2.932 N/A LYS 200.A N ASN 198.A OD1 no hydrogen 2.921 N/A LYS 201.A N ASN 198.A O no hydrogen 2.927 N/A LYS 201.A NZ SER 122.A O no hydrogen 2.856 N/A GLN 202.A N ASN 198.A OD1 no hydrogen 2.994 N/A PHE 204.A N VAL 196.A O no hydrogen 2.897 N/A SER 205.A N SER 224.A OG no hydrogen 2.817 N/A SER 205.A OG CYS 228.A O no hydrogen 3.020 N/A LYS 206.A N VAL 194.A O no hydrogen 2.959 N/A LYS 206.A NZ GLY 220.A O no hydrogen 2.922 N/A LYS 206.A NZ GLY 222.A O no hydrogen 2.923 N/A PHE 208.A N TYR 192.A O no hydrogen 2.865 N/A TYR 209.A N LYS 218.A O no hydrogen 2.861 N/A SER 210.A N LEU 190.A O no hydrogen 2.952 N/A SER 210.A OG ASP 212.A OD2 no hydrogen 2.832 N/A SER 210.A OG THR 216.A O no hydrogen 2.809 N/A ASP 212.A N SER 210.A OG no hydrogen 3.292 N/A GLY 214.A N SER 210.A OG no hydrogen 2.801 N/A LYS 215.A N ASP 212.A O no hydrogen 3.409 N/A THR 216.A N ASP 212.A OD2 no hydrogen 2.856 N/A THR 216.A OG1 ASP 212.A OD1 no hydrogen 2.663 N/A THR 216.A OG1 ASP 212.A OD2 no hydrogen 3.408 N/A TRP 217.A NE1 GLY 214.A O no hydrogen 2.925 N/A LYS 218.A N TYR 209.A O no hydrogen 2.859 N/A GLY 220.A N ILE 207.A O no hydrogen 2.886 N/A LYS 221.A N ASN 261.A OD1 no hydrogen 2.931 N/A GLY 222.A N GLY 260.A O no hydrogen 2.793 N/A ARG 223.A NH1 SER 224.A O no hydrogen 2.923 N/A SER 224.A N SER 205.A O no hydrogen 3.097 N/A SER 224.A OG ALA 225.A O no hydrogen 2.764 N/A ALA 225.A N TYR 254.A OH no hydrogen 3.070 N/A GLY 227.A N VAL 203.A O no hydrogen 2.773 N/A CYS 228.A SG ALA 225.A O no hydrogen 3.517 N/A CYS 228.A SG THR 244.A OG1 no hydrogen 3.460 N/A SER 229.A N ARG 245.A O no hydrogen 2.784 N/A SER 229.A OG ARG 245.A O no hydrogen 3.532 N/A GLU 230.A N GLN 195.A OE1 no hydrogen 3.023 N/A VAL 232.A N ASN 243.A O no hydrogen 2.904 N/A LEU 234.A N ILE 241.A O no hydrogen 3.075 N/A TRP 236.A N LYS 239.A O no hydrogen 2.789 N/A LYS 239.A N TRP 236.A O no hydrogen 2.899 N/A LYS 239.A NZ GLU 255.A OE2 no hydrogen 3.211 N/A LEU 240.A N SER 256.A O no hydrogen 2.805 N/A ILE 241.A N LEU 234.A O no hydrogen 2.798 N/A ILE 242.A N TYR 254.A O no hydrogen 2.769 N/A ASN 243.A N VAL 232.A O no hydrogen 2.780 N/A THR 244.A N LEU 252.A O no hydrogen 2.891 N/A THR 244.A OG1 LEU 252.A O no hydrogen 2.825 N/A ARG 245.A N SER 229.A O no hydrogen 3.022 N/A ARG 245.A NE ASP 247.A OD2 no hydrogen 2.817 N/A ARG 245.A NH1 GLU 230.A OE1 no hydrogen 2.802 N/A ARG 245.A NH2 ASP 247.A OD2 no hydrogen 3.183 N/A TYR 248.A N GLN 282.A O no hydrogen 2.839 N/A ARG 249.A N VAL 246.A O no hydrogen 3.116 N/A ARG 249.A NH1 TYR 248.A O no hydrogen 2.973 N/A ARG 250.A NE ARG 272.A O no hydrogen 2.752 N/A ARG 250.A NH1 ARG 272.A O no hydrogen 2.943 N/A ARG 250.A NH1 GLN 462.A O no hydrogen 2.905 N/A ARG 250.A NH2 GLN 462.A O no hydrogen 3.019 N/A ARG 251.A N TRP 274.A O no hydrogen 2.963 N/A ARG 251.A NE ASN 243.A OD1 no hydrogen 2.832 N/A ARG 251.A NH1 SER 285.A O no hydrogen 2.990 N/A ARG 251.A NH2 ASN 243.A OD1 no hydrogen 2.994 N/A VAL 253.A N SER 271.A OG no hydrogen 3.001 N/A TYR 254.A N ILE 242.A O no hydrogen 2.827 N/A GLU 255.A N LEU 264.A O no hydrogen 2.721 N/A SER 256.A N LEU 240.A O no hydrogen 2.934 N/A SER 256.A OG ASP 258.A OD1 no hydrogen 2.927 N/A SER 256.A OG THR 262.A O no hydrogen 2.805 N/A GLY 260.A N SER 256.A OG no hydrogen 2.845 N/A ASN 261.A N ASP 258.A O no hydrogen 3.080 N/A THR 262.A N ASP 258.A OD1 no hydrogen 2.791 N/A THR 262.A OG1 ASP 258.A OD1 no hydrogen 3.123 N/A THR 262.A OG1 ASP 258.A OD2 no hydrogen 2.696 N/A TRP 263.A NE1 GLY 260.A O no hydrogen 3.025 N/A LEU 264.A N GLU 255.A O no hydrogen 2.914 N/A ALA 266.A N VAL 253.A O no hydrogen 2.788 N/A VAL 267.A N GLU 265.A O no hydrogen 2.850 N/A THR 269.A N ALA 266.A O no hydrogen 3.248 N/A THR 269.A OG1 ALA 266.A O no hydrogen 3.558 N/A SER 271.A N ALA 266.A O no hydrogen 2.958 N/A SER 271.A OG VAL 253.A O no hydrogen 3.486 N/A SER 271.A OG GLU 265.A OE2 no hydrogen 2.605 N/A ARG 272.A N ARG 251.A O no hydrogen 2.880 N/A ARG 272.A NE GLU 265.A OE2 no hydrogen 2.829 N/A ARG 272.A NH1 GLU 265.A OE1 no hydrogen 3.153 N/A ARG 272.A NH1 GLU 265.A OE2 no hydrogen 3.429 N/A VAL 273.A N LEU 270.A O no hydrogen 3.313 N/A SER 277.A OG ASN 281.A OD1 no hydrogen 3.337 N/A SER 280.A N SER 277.A O no hydrogen 2.879 N/A ASN 281.A N SER 277.A OG no hydrogen 3.172 N/A GLN 282.A NE2 ASN 281.A OD1 no hydrogen 3.240 N/A GLY 284.A N ASP 247.A OD2 no hydrogen 2.895 N/A SER 285.A OG GLN 286.A O no hydrogen 2.949 N/A SER 285.A OG ALA 341.A O no hydrogen 3.387 N/A GLN 286.A NE2 SER 343.A O no hydrogen 2.888 N/A SER 287.A OG THR 303.A O no hydrogen 2.811 N/A SER 288.A N THR 303.A OG1 no hydrogen 3.050 N/A THR 290.A N LEU 301.A O no hydrogen 3.030 N/A VAL 292.A N VAL 299.A O no hydrogen 2.977 N/A ILE 294.A N MET 297.A O no hydrogen 3.003 N/A MET 297.A N ILE 294.A O no hydrogen 3.005 N/A ARG 298.A NH1 THR 293.A OG1 no hydrogen 2.887 N/A VAL 299.A N VAL 292.A O no hydrogen 2.895 N/A MET 300.A N THR 322.A O no hydrogen 2.813 N/A LEU 301.A N THR 290.A O no hydrogen 2.927 N/A PHE 302.A N TRP 320.A O no hydrogen 2.943 N/A THR 303.A N SER 288.A O no hydrogen 2.962 N/A THR 303.A OG1 SER 343.A OG no hydrogen 2.633 N/A HIS 304.A N ASN 318.A O no hydrogen 3.087 N/A HIS 304.A ND1 SER 287.A OG no hydrogen 3.216 N/A LEU 306.A N ARG 316.A O no hydrogen 2.886 N/A ASN 307.A N ASP 315.A O no hydrogen 2.913 N/A ASN 307.A ND2 PRO 283.A O no hydrogen 3.598 N/A ASN 307.A ND2 ARG 311.A O no hydrogen 2.974 N/A PHE 308.A N ASP 315.A OD1 no hydrogen 2.979 N/A LYS 309.A N ASP 315.A OD2 no hydrogen 2.802 N/A LYS 309.A NZ ASP 337.A O no hydrogen 2.804 N/A LYS 309.A NZ ASN 339.A OD1 no hydrogen 2.830 N/A GLY 310.A N ASN 307.A OD1 no hydrogen 2.907 N/A ARG 311.A N GLN 282.A OE1 no hydrogen 2.778 N/A LEU 313.A N GLY 310.A O no hydrogen 3.168 N/A ARG 314.A N ASN 307.A OD1 no hydrogen 2.964 N/A ARG 314.A NE TRP 312.A O no hydrogen 2.867 N/A ARG 314.A NH1 GLY 284.A O no hydrogen 2.896 N/A ARG 314.A NH2 TRP 312.A O no hydrogen 3.424 N/A ARG 316.A NH1 ASP 315.A OD1 no hydrogen 2.772 N/A LEU 317.A N SER 334.A OG no hydrogen 2.859 N/A LEU 317.A N SER 340.A OG no hydrogen 3.240 N/A ASN 318.A N HIS 304.A O no hydrogen 2.994 N/A ASN 318.A ND2 ASN 329.A OD1 no hydrogen 3.053 N/A LEU 319.A N GLY 331.A O no hydrogen 2.858 N/A TRP 320.A N PHE 302.A O no hydrogen 2.747 N/A LEU 321.A N TYR 328.A O no hydrogen 2.872 N/A THR 322.A N MET 300.A O no hydrogen 3.060 N/A THR 322.A OG1 ARG 326.A O no hydrogen 2.657 N/A ASN 324.A N THR 322.A OG1 no hydrogen 2.963 N/A GLN 325.A N ASP 323.A OD2 no hydrogen 2.929 N/A GLN 325.A NE2 ASP 323.A OD1 no hydrogen 3.003 N/A ARG 326.A N ASP 323.A OD2 no hydrogen 2.815 N/A ARG 326.A NE LEU 410.A O no hydrogen 2.837 N/A ARG 326.A NH1 ASP 389.A OD2 no hydrogen 2.968 N/A ARG 326.A NH2 ASP 389.A OD1 no hydrogen 2.895 N/A ARG 326.A NH2 ASP 389.A OD2 no hydrogen 3.391 N/A ARG 326.A NH2 LEU 410.A O no hydrogen 2.782 N/A TYR 328.A N LEU 321.A O no hydrogen 2.755 N/A VAL 330.A N LEU 319.A O no hydrogen 2.827 N/A GLY 331.A N LEU 319.A O no hydrogen 3.364 N/A GLN 332.A NE2 SER 334.A O no hydrogen 3.008 N/A GLN 332.A NE2 GLY 336.A O no hydrogen 2.862 N/A VAL 333.A N LEU 317.A O no hydrogen 2.802 N/A SER 334.A OG SER 340.A OG no hydrogen 3.161 N/A ILE 335.A N GLU 338.A OE1 no hydrogen 2.818 N/A GLU 338.A N ILE 335.A O no hydrogen 3.308 N/A ASN 339.A ND2 ASN 359.A O no hydrogen 3.095 N/A SER 340.A N ARG 314.A O no hydrogen 2.923 N/A SER 340.A OG GLU 338.A O no hydrogen 3.564 N/A TYR 342.A N GLU 357.A OE2 no hydrogen 3.087 N/A TYR 342.A OH GLU 230.A OE2 no hydrogen 2.591 N/A SER 343.A N GLN 286.A OE1 no hydrogen 2.808 N/A SER 343.A OG THR 303.A OG1 no hydrogen 2.633 N/A SER 344.A N LEU 355.A O no hydrogen 2.852 N/A VAL 345.A N SER 288.A OG no hydrogen 2.962 N/A LEU 346.A N TYR 353.A O no hydrogen 2.912 N/A TYR 347.A OH ASP 350.A OD2 no hydrogen 2.578 N/A LYS 348.A N LYS 351.A O no hydrogen 2.909 N/A LYS 348.A NZ ASP 73.A OD1 no hydrogen 2.635 N/A LYS 348.A NZ ASP 349.A OD2 no hydrogen 2.741 N/A LYS 351.A N LYS 348.A O no hydrogen 2.983 N/A TYR 353.A N LEU 346.A O no hydrogen 2.810 N/A CYS 354.A N ALA 369.A O no hydrogen 2.908 N/A CYS 354.A SG SER 344.A O no hydrogen 3.742 N/A LEU 355.A N SER 344.A O no hydrogen 2.904 N/A HIS 356.A N VAL 367.A O no hydrogen 3.026 N/A HIS 356.A ND1 GLU 357.A O no hydrogen 2.880 N/A GLU 357.A N TYR 342.A O no hydrogen 2.985 N/A ILE 358.A N SER 365.A O no hydrogen 2.966 N/A ASN 359.A N ASN 339.A O no hydrogen 2.935 N/A SER 360.A N VAL 363.A O no hydrogen 3.099 N/A VAL 363.A N SER 360.A O no hydrogen 2.989 N/A TYR 364.A N SER 33.A OG no hydrogen 3.030 N/A TYR 364.A OH GLU 362.A OE1 no hydrogen 2.581 N/A SER 365.A N ILE 358.A O no hydrogen 2.949 N/A SER 365.A OG GLU 9.A OE1 no hydrogen 2.576 N/A LEU 366.A N PHE 11.A O no hydrogen 2.964 N/A VAL 367.A N HIS 356.A O no hydrogen 2.843 N/A PHE 368.A N VAL 8.A O no hydrogen 2.894 N/A ALA 369.A N CYS 354.A O no hydrogen 2.809 N/A ARG 370.A N SER 6.A O no hydrogen 2.787 N/A ARG 370.A NH1 ASP 73.A O no hydrogen 3.092 N/A ARG 370.A NH2 ASP 73.A O no hydrogen 3.230 N/A LEU 371.A N LEU 352.A O no hydrogen 2.775 N/A GLY 373.A N SER 5.A OG no hydrogen 2.944 N/A GLU 374.A N GLU 374.A OE1 no hydrogen 2.740 N/A LEU 375.A N LEU 371.A O no hydrogen 3.165 N/A ARG 376.A N VAL 372.A O no hydrogen 3.191 N/A ARG 376.A NH1 PRO 3.A O no hydrogen 2.764 N/A ARG 376.A NH2 PRO 3.A O no hydrogen 3.327 N/A ILE 377.A N GLY 373.A O no hydrogen 3.010 N/A ILE 378.A N GLU 374.A O no hydrogen 2.880 N/A LYS 379.A N LEU 375.A O no hydrogen 2.884 N/A LYS 379.A NZ ASP 350.A OD1 no hydrogen 2.791 N/A LYS 379.A NZ ASP 350.A OD2 no hydrogen 2.947 N/A SER 380.A N ARG 376.A O no hydrogen 3.055 N/A VAL 381.A N ILE 377.A O no hydrogen 2.891 N/A LEU 382.A N ILE 378.A O no hydrogen 2.874 N/A GLN 383.A N LYS 379.A O no hydrogen 2.966 N/A SER 384.A N SER 380.A O no hydrogen 3.031 N/A SER 384.A OG SER 380.A O no hydrogen 3.437 N/A TRP 385.A N VAL 381.A O no hydrogen 2.943 N/A TRP 385.A NE1 TYR 427.A O no hydrogen 2.831 N/A LYS 386.A N LEU 382.A O no hydrogen 2.911 N/A ASN 387.A N GLN 383.A O no hydrogen 2.793 N/A TRP 388.A N SER 384.A O no hydrogen 2.975 N/A ASP 389.A N TRP 385.A O no hydrogen 2.981 N/A SER 390.A N LYS 386.A O no hydrogen 2.907 N/A SER 390.A OG LYS 386.A O no hydrogen 3.094 N/A HIS 391.A N ASN 387.A O no hydrogen 2.890 N/A HIS 391.A NE2 ILE 618.A O no hydrogen 3.193 N/A LEU 392.A N TRP 388.A O no hydrogen 2.944 N/A SER 393.A N ASP 389.A O no hydrogen 2.950 N/A SER 393.A OG ASP 389.A O no hydrogen 3.073 N/A SER 394.A N SER 390.A O no hydrogen 2.944 N/A SER 394.A N HIS 391.A O no hydrogen 3.291 N/A SER 394.A OG SER 390.A O no hydrogen 3.131 N/A SER 394.A OG HIS 391.A O no hydrogen 3.200 N/A ILE 395.A N LEU 392.A O no hydrogen 3.397 N/A THR 397.A OG1 PRO 403.A O no hydrogen 2.630 N/A GLY 402.A N THR 397.A O no hydrogen 3.046 N/A VAL 408.A N THR 406.A OG1 no hydrogen 3.233 N/A GLY 409.A N GLN 325.A OE1 no hydrogen 2.826 N/A LEU 410.A N THR 407.A O no hydrogen 3.180 N/A VAL 411.A N LEU 598.A O no hydrogen 2.809 N/A GLY 412.A N LEU 598.A O no hydrogen 3.340 N/A PHE 413.A N ASP 425.A OD1 no hydrogen 3.071 N/A LEU 414.A N VAL 596.A O no hydrogen 2.852 N/A SER 415.A OG ASN 442.A OD1 no hydrogen 3.262 N/A SER 415.A OG THR 620.A OG1 no hydrogen 3.184 N/A HIS 416.A N THR 620.A OG1 no hydrogen 3.016 N/A THR 419.A N GLU 422.A O no hydrogen 2.786 N/A THR 419.A OG1 GLU 422.A O no hydrogen 3.465 N/A GLU 422.A N THR 419.A OG1 no hydrogen 3.048 N/A TRP 423.A N ALA 432.A O no hydrogen 2.808 N/A TRP 423.A NE1 SER 415.A O no hydrogen 2.869 N/A GLU 424.A N SER 417.A O no hydrogen 3.033 N/A ASP 425.A N ASN 431.A OD1 no hydrogen 2.980 N/A ALA 426.A N PHE 413.A O no hydrogen 2.840 N/A TYR 427.A N ASP 425.A OD1 no hydrogen 3.005 N/A TYR 427.A OH ASP 389.A OD1 no hydrogen 2.729 N/A ARG 428.A N ASP 425.A O no hydrogen 2.973 N/A ARG 428.A NH2 SER 380.A OG no hydrogen 2.977 N/A ARG 428.A NH2 SER 384.A OG no hydrogen 2.905 N/A CYS 429.A N ASP 425.A OD2 no hydrogen 2.946 N/A CYS 429.A SG ILE 327.A O no hydrogen 3.365 N/A CYS 429.A SG TYR 427.A O no hydrogen 3.427 N/A VAL 430.A N ASP 425.A OD2 no hydrogen 3.009 N/A ASN 431.A ND2 GLU 422.A OE2 no hydrogen 2.930 N/A ALA 432.A N TRP 423.A O no hydrogen 2.931 N/A SER 433.A N LEU 454.A O no hydrogen 2.876 N/A SER 433.A OG LEU 454.A O no hydrogen 3.463 N/A THR 434.A N THR 421.A O no hydrogen 2.981 N/A ALA 435.A N GLY 452.A O no hydrogen 2.962 N/A ASN 436.A ND2 ALA 447.A O no hydrogen 3.216 N/A GLU 438.A N LYS 445.A O no hydrogen 2.841 N/A ARG 439.A NH1 ALA 418.A O no hydrogen 3.313 N/A VAL 440.A N GLY 443.A O no hydrogen 3.009 N/A ASN 442.A N HIS 416.A ND1 no hydrogen 2.943 N/A GLY 443.A N VAL 440.A O no hydrogen 3.164 N/A LEU 444.A N VAL 593.A O no hydrogen 3.043 N/A LYS 445.A N GLU 438.A O no hydrogen 2.772 N/A PHE 446.A N VAL 591.A O no hydrogen 2.835 N/A ALA 447.A N ASN 436.A O no hydrogen 3.406 N/A GLY 448.A N ASP 588.A OD1 no hydrogen 2.711 N/A GLY 451.A N GLY 448.A O no hydrogen 2.928 N/A GLY 452.A N ALA 435.A O no hydrogen 3.152 N/A ALA 453.A N VAL 577.A O no hydrogen 2.808 N/A LEU 454.A N SER 433.A O no hydrogen 2.787 N/A TRP 455.A N PHE 575.A O no hydrogen 2.872 N/A TRP 455.A NE1 VAL 430.A O no hydrogen 2.855 N/A VAL 457.A N SER 573.A O no hydrogen 2.885 N/A SER 458.A N ILE 572.A O no hydrogen 2.867 N/A SER 458.A OG ILE 572.A O no hydrogen 3.284 N/A GLN 459.A N SER 573.A O no hydrogen 3.156 N/A GLN 460.A N VAL 457.A O no hydrogen 3.019 N/A GLN 460.A NE2 PRO 456.A O no hydrogen 2.899 N/A GLY 461.A N SER 458.A O no hydrogen 2.976 N/A GLN 462.A NE2 GLY 275.A O no hydrogen 2.994 N/A GLN 462.A NE2 LEU 306.A O no hydrogen 2.869 N/A GLN 464.A N VAL 273.A O no hydrogen 2.767 N/A GLN 464.A NE2 GLY 461.A O no hydrogen 2.852 N/A ARG 465.A N GLN 460.A OE1 no hydrogen 2.883 N/A ARG 465.A NE ILE 327.A O no hydrogen 3.108 N/A ARG 465.A NH1 GLN 460.A OE1 no hydrogen 2.888 N/A HIS 467.A N GLN 464.A O no hydrogen 3.245 N/A ALA 469.A N TYR 466.A O no hydrogen 2.910 N/A ASN 470.A N HIS 467.A O no hydrogen 3.094 N/A ASN 470.A ND2 HIS 467.A O no hydrogen 3.161 N/A HIS 471.A N PHE 468.A O no hydrogen 2.858 N/A ALA 472.A N PHE 468.A O no hydrogen 3.082 N/A PHE 473.A N MET 542.A O no hydrogen 2.994 N/A THR 474.A N TYR 599.A O no hydrogen 3.071 N/A THR 474.A OG1 ARG 601.A O no hydrogen 2.679 N/A LEU 475.A N LEU 540.A O no hydrogen 2.837 N/A VAL 476.A N LEU 597.A O no hydrogen 2.876 N/A ALA 477.A N VAL 538.A O no hydrogen 2.939 N/A SER 478.A N ASN 594.A O no hydrogen 2.960 N/A VAL 479.A N TYR 536.A O no hydrogen 2.765 N/A THR 480.A N THR 592.A O no hydrogen 2.949 N/A HIS 482.A N ARG 590.A O no hydrogen 2.865 N/A HIS 482.A NE2 THR 592.A OG1 no hydrogen 2.747 N/A SER 489.A N TYR 509.A O no hydrogen 2.891 N/A LEU 491.A N LEU 507.A O no hydrogen 2.926 N/A LEU 492.A N LEU 507.A O no hydrogen 3.273 N/A GLY 493.A N TYR 576.A O no hydrogen 3.053 N/A ALA 494.A N LEU 505.A O no hydrogen 2.774 N/A SER 495.A N HIS 574.A O no hydrogen 2.835 N/A SER 495.A OG ASP 497.A O no hydrogen 2.700 N/A SER 495.A OG LYS 502.A O no hydrogen 3.498 N/A LEU 496.A N LYS 502.A O no hydrogen 2.731 N/A ASP 497.A N SER 495.A OG no hydrogen 3.286 N/A SER 499.A N ASP 497.A OD2 no hydrogen 3.327 N/A SER 499.A OG ASP 497.A OD1 no hydrogen 3.378 N/A SER 499.A OG ASP 497.A OD2 no hydrogen 2.606 N/A GLY 500.A N ASP 497.A OD1 no hydrogen 3.098 N/A GLY 501.A N SER 499.A OG no hydrogen 2.889 N/A LYS 502.A N ASP 497.A OD1 no hydrogen 3.120 N/A LYS 503.A NZ GLY 500.A O no hydrogen 2.751 N/A LYS 503.A NZ TYR 580.A OH no hydrogen 2.768 N/A LEU 504.A N ALA 494.A O no hydrogen 2.887 N/A LEU 505.A N ALA 494.A O no hydrogen 3.445 N/A GLY 506.A N ILE 518.A O no hydrogen 3.034 N/A LEU 507.A N LEU 492.A O no hydrogen 2.709 N/A SER 508.A N GLN 516.A O no hydrogen 2.879 N/A TYR 509.A N SER 489.A O no hydrogen 2.902 N/A ASP 510.A N GLN 514.A O no hydrogen 3.015 N/A LYS 511.A N GLY 487.A O no hydrogen 2.884 N/A ARG 512.A N ASP 510.A OD1 no hydrogen 2.931 N/A ARG 512.A NH1 GLN 514.A OE1 no hydrogen 2.838 N/A HIS 513.A N ASP 510.A O no hydrogen 3.087 N/A GLN 514.A N ASP 510.A OD1 no hydrogen 2.967 N/A GLN 514.A NE2 GLY 528.A O no hydrogen 3.061 N/A TRP 515.A N THR 527.A O no hydrogen 2.977 N/A GLN 516.A N SER 508.A O no hydrogen 2.739 N/A GLN 516.A NE2 ASP 510.A OD2 no hydrogen 2.995 N/A ILE 518.A N GLY 506.A O no hydrogen 2.824 N/A TYR 519.A OH SER 559.A OG no hydrogen 2.724 N/A GLY 520.A N LEU 504.A O no hydrogen 2.867 N/A THR 522.A N TYR 519.A O no hydrogen 2.982 N/A THR 527.A N TRP 515.A O no hydrogen 2.968 N/A TRP 530.A N HIS 513.A O no hydrogen 2.939 N/A TRP 530.A NE1 GLN 514.A O no hydrogen 3.036 N/A GLU 531.A N TYR 536.A OH no hydrogen 2.763 N/A GLY 533.A N ILE 481.A O no hydrogen 2.876 N/A LYS 534.A N GLU 531.A O no hydrogen 3.285 N/A ARG 535.A NH1 ASP 616.A OD1 no hydrogen 2.814 N/A ARG 535.A NH2 ASP 616.A OD1 no hydrogen 3.530 N/A ARG 535.A NH2 ASP 616.A OD2 no hydrogen 2.754 N/A TYR 536.A N VAL 479.A O no hydrogen 2.774 N/A HIS 537.A N ASP 552.A OD2 no hydrogen 2.940 N/A VAL 538.A N ALA 477.A O no hydrogen 2.798 N/A VAL 539.A N TYR 550.A O no hydrogen 2.966 N/A LEU 540.A N LEU 475.A O no hydrogen 2.813 N/A THR 541.A N SER 548.A O no hydrogen 2.918 N/A MET 542.A N PHE 473.A O no hydrogen 2.990 N/A ALA 543.A N ILE 546.A O no hydrogen 3.058 N/A ILE 546.A N ALA 543.A O no hydrogen 2.916 N/A GLY 547.A N GLN 561.A O no hydrogen 2.790 N/A SER 548.A N THR 541.A O no hydrogen 2.895 N/A VAL 549.A N SER 559.A OG no hydrogen 2.758 N/A TYR 550.A N VAL 539.A O no hydrogen 2.831 N/A ILE 551.A N GLU 554.A O no hydrogen 2.965 N/A ASP 552.A N HIS 537.A O no hydrogen 2.784 N/A GLU 554.A N ILE 551.A O no hydrogen 3.130 N/A LEU 556.A N VAL 549.A O no hydrogen 2.939 N/A SER 559.A N LEU 556.A O no hydrogen 3.186 N/A SER 559.A OG TYR 519.A OH no hydrogen 2.724 N/A GLN 561.A N GLY 547.A O no hydrogen 2.966 N/A VAL 563.A N LYS 545.A O no hydrogen 2.879 N/A ARG 568.A N ASP 566.A OD2 no hydrogen 2.670 N/A ARG 568.A NE ASP 566.A OD1 no hydrogen 3.180 N/A ARG 568.A NE ASP 566.A OD2 no hydrogen 3.019 N/A ARG 568.A NH2 ASP 566.A OD1 no hydrogen 2.938 N/A ILE 572.A N ASN 470.A OD1 no hydrogen 2.780 N/A SER 573.A N SER 495.A O no hydrogen 2.726 N/A SER 573.A OG ASP 497.A O no hydrogen 3.307 N/A SER 573.A OG HIS 574.A ND1 no hydrogen 2.751 N/A HIS 574.A N SER 495.A O no hydrogen 3.453 N/A HIS 574.A ND1 SER 573.A OG no hydrogen 2.751 N/A PHE 575.A N TRP 455.A O no hydrogen 2.840 N/A TYR 576.A N GLY 493.A O no hydrogen 2.896 N/A VAL 577.A N ALA 453.A O no hydrogen 2.920 N/A GLY 578.A N LEU 491.A O no hydrogen 2.734 N/A LYS 581.A N GLY 451.A O no hydrogen 3.002 N/A LYS 581.A NZ LYS 581.A O no hydrogen 2.980 N/A ARG 582.A NE SER 498.A O no hydrogen 2.844 N/A ARG 582.A NH2 GLN 459.A OE1 no hydrogen 3.420 N/A ARG 582.A NH2 SER 498.A O no hydrogen 2.926 N/A MET 585.A N ARG 582.A O no hydrogen 3.026 N/A SER 589.A OG PRO 490.A O no hydrogen 2.717 N/A ARG 590.A NE ASP 588.A OD1 no hydrogen 3.232 N/A ARG 590.A NE ASP 588.A OD2 no hydrogen 2.949 N/A ARG 590.A NH2 ASP 588.A OD2 no hydrogen 2.932 N/A VAL 591.A N PHE 446.A O no hydrogen 3.173 N/A THR 592.A N THR 480.A O no hydrogen 2.838 N/A THR 592.A OG1 HIS 482.A NE2 no hydrogen 2.747 N/A VAL 593.A N LEU 444.A O no hydrogen 2.900 N/A ASN 594.A N SER 478.A O no hydrogen 2.819 N/A ASN 595.A N ASN 442.A O no hydrogen 3.009 N/A VAL 596.A N LEU 414.A O no hydrogen 2.818 N/A LEU 597.A N VAL 476.A O no hydrogen 2.872 N/A LEU 598.A N GLY 412.A O no hydrogen 2.989 N/A TYR 599.A N THR 474.A O no hydrogen 2.808 N/A TYR 599.A OH THR 406.A O no hydrogen 2.741 N/A ASN 600.A N GLY 409.A O no hydrogen 2.912 N/A ARG 601.A NE VAL 408.A O no hydrogen 2.820 N/A ARG 601.A NH1 GLU 607.A OE1 no hydrogen 2.900 N/A ARG 601.A NH1 GLU 607.A OE2 no hydrogen 3.411 N/A ARG 601.A NH2 VAL 408.A O no hydrogen 3.114 N/A ARG 601.A NH2 GLU 607.A OE1 no hydrogen 3.512 N/A ARG 601.A NH2 GLU 607.A OE2 no hydrogen 2.913 N/A LEU 603.A N THR 474.A OG1 no hydrogen 2.999 N/A ASN 604.A N GLU 607.A OE1 no hydrogen 2.906 N/A GLU 607.A N ASN 604.A OD1 no hydrogen 2.662 N/A ILE 608.A N ASN 604.A O no hydrogen 3.011 N/A ARG 609.A N ALA 605.A O no hydrogen 2.902 N/A THR 610.A N GLU 606.A O no hydrogen 2.829 N/A THR 610.A OG1 GLU 606.A O no hydrogen 2.951 N/A LEU 611.A N GLU 607.A O no hydrogen 3.031 N/A PHE 612.A N ILE 608.A O no hydrogen 2.947 N/A LEU 613.A N ARG 609.A O no hydrogen 2.888 N/A SER 614.A N THR 610.A O no hydrogen 2.944 N/A SER 614.A N LEU 611.A O no hydrogen 3.262 N/A SER 614.A OG THR 610.A O no hydrogen 2.824 N/A GLN 615.A N PHE 612.A O no hydrogen 3.284 N/A GLN 615.A NE2 SER 478.A OG no hydrogen 2.551 N/A LEU 617.A N SER 614.A O no hydrogen 2.895 N/A THR 620.A N SER 415.A OG no hydrogen 2.977 N/A THR 620.A OG1 SER 415.A OG no hydrogen 3.184 N/A GLU 621.A N ASN 442.A OD1 no hydrogen 2.982 N/A HIS 623.A N THR 620.A O no hydrogen 2.895 N/A