Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gjw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLU 189.A OE2 no hydrogen 3.335 N/A GLU 5.A N MET 1.A O no hydrogen 2.749 N/A ILE 6.A N LEU 2.A O no hydrogen 2.776 N/A ASN 7.A N LEU 3.A O no hydrogen 3.093 N/A ASN 7.A ND2 THR 53.A OG1 no hydrogen 2.604 N/A ASN 7.A ND2 ASP 54.A OD2 no hydrogen 2.932 N/A ARG 8.A N ARG 4.A O no hydrogen 2.792 N/A TYR 9.A N GLU 5.A O no hydrogen 3.017 N/A CYS 10.A N ILE 6.A O no hydrogen 3.019 N/A CYS 10.A SG ILE 6.A O no hydrogen 3.245 N/A LYS 11.A N ASN 7.A O no hydrogen 3.167 N/A LYS 11.A NZ ASN 7.A OD1 no hydrogen 2.696 N/A LYS 11.A NZ ASP 54.A OD2 no hydrogen 2.887 N/A GLU 12.A N ARG 8.A O no hydrogen 3.088 N/A LYS 13.A N TYR 9.A O no hydrogen 2.922 N/A ALA 14.A N CYS 10.A O no hydrogen 2.839 N/A THR 15.A N ASP 44.A OD1 no hydrogen 2.704 N/A THR 15.A OG1 ASP 44.A OD1 no hydrogen 3.555 N/A GLY 16.A N ASP 44.A OD1 no hydrogen 2.628 N/A LYS 17.A N THR 15.A OG1 no hydrogen 3.270 N/A ARG 18.A NH1 ASP 35.A OD2 no hydrogen 2.726 N/A ILE 19.A N LYS 17.A O no hydrogen 3.254 N/A TYR 20.A N VAL 43.A O no hydrogen 3.045 N/A ALA 21.A N HIS 99.A O no hydrogen 2.906 N/A VAL 22.A N CYS 41.A O no hydrogen 2.997 N/A LYS 24.A NZ GLU 36.A OE1 no hydrogen 3.469 N/A LYS 24.A NZ GLU 36.A OE2 no hydrogen 2.941 N/A TRP 26.A N PRO 23.A O no hydrogen 2.764 N/A ILE 27.A N LYS 24.A O no hydrogen 3.041 N/A PHE 31.A N PRO 28.A O no hydrogen 3.041 N/A LYS 32.A NZ GLY 29.A O no hydrogen 3.198 N/A PHE 34.A N LYS 32.A O no hydrogen 2.949 N/A ASP 35.A N PHE 42.A O no hydrogen 2.929 N/A LYS 37.A N ARG 40.A O no hydrogen 2.942 N/A ARG 40.A N LYS 37.A O no hydrogen 3.297 N/A ARG 40.A NE TYR 97.A OH no hydrogen 3.109 N/A ARG 40.A NH2 ASP 546.A OD2 no hydrogen 3.514 N/A CYS 41.A N VAL 22.A O no hydrogen 3.160 N/A PHE 42.A N ASP 35.A O no hydrogen 2.749 N/A VAL 43.A N TYR 20.A O no hydrogen 2.892 N/A TYR 46.A N ASP 44.A OD2 no hydrogen 2.932 N/A TYR 46.A OH LEU 174.A O no hydrogen 2.507 N/A GLU 47.A N ASP 44.A O no hydrogen 2.963 N/A LEU 48.A N ASP 44.A O no hydrogen 3.160 N/A GLY 49.A N PRO 45.A O no hydrogen 2.833 N/A ALA 50.A N TYR 46.A O no hydrogen 2.782 N/A GLU 51.A N GLU 47.A O no hydrogen 2.904 N/A ILE 52.A N LEU 48.A O no hydrogen 3.071 N/A THR 53.A N GLY 49.A O no hydrogen 3.025 N/A THR 53.A OG1 GLY 49.A O no hydrogen 2.604 N/A THR 53.A OG1 ALA 50.A O no hydrogen 3.043 N/A ASP 54.A N ALA 50.A O no hydrogen 2.884 N/A TRP 55.A N GLU 51.A O no hydrogen 2.931 N/A ILE 56.A N ILE 52.A O no hydrogen 2.957 N/A LEU 57.A N THR 53.A O no hydrogen 2.674 N/A ASN 58.A N ASP 54.A O no hydrogen 2.818 N/A GLN 59.A N ILE 56.A O no hydrogen 3.046 N/A GLN 59.A NE2 TRP 55.A O no hydrogen 2.882 N/A SER 60.A N LEU 57.A O no hydrogen 2.938 N/A SER 60.A OG LEU 57.A O no hydrogen 2.510 N/A ARG 61.A N TYR 65.A OH no hydrogen 2.992 N/A SER 66.A N ASP 64.A OD2 no hydrogen 2.919 N/A SER 66.A OG ASP 64.A OD1 no hydrogen 3.325 N/A SER 66.A OG ASP 64.A OD2 no hydrogen 2.683 N/A LEU 69.A N ASP 380.A OD2 no hydrogen 2.978 N/A SER 70.A OG ASP 406.A OD1 no hydrogen 3.346 N/A SER 70.A OG ASP 406.A OD2 no hydrogen 3.142 N/A PHE 71.A N PRO 68.A O no hydrogen 2.898 N/A LYS 73.A N LEU 69.A O no hydrogen 2.904 N/A LYS 73.A N SER 70.A O no hydrogen 3.194 N/A GLY 74.A N PHE 71.A O no hydrogen 3.134 N/A GLU 75.A N SER 70.A O no hydrogen 2.844 N/A TRP 80.A NE1 ALA 408.A O no hydrogen 2.880 N/A LYS 82.A N ASP 79.A O no hydrogen 3.094 N/A ARG 83.A N TRP 80.A O no hydrogen 2.893 N/A SER 84.A N ILE 81.A O no hydrogen 3.195 N/A SER 84.A OG TRP 80.A O no hydrogen 2.992 N/A VAL 85.A N ASP 135.A OD2 no hydrogen 2.831 N/A VAL 86.A N PRO 497.A O no hydrogen 2.954 N/A TYR 87.A N ALA 136.A O no hydrogen 2.928 N/A TYR 87.A OH GLU 504.A OE1 no hydrogen 2.544 N/A GLY 88.A N VAL 499.A O no hydrogen 2.867 N/A SER 89.A N TYR 138.A O no hydrogen 2.769 N/A SER 89.A OG THR 94.A OG1 no hydrogen 2.560 N/A ARG 92.A NH1 PRO 155.A O no hydrogen 2.667 N/A ARG 92.A NH2 PRO 155.A O no hydrogen 2.974 N/A ARG 92.A NH2 ALA 536.A O no hydrogen 3.009 N/A ARG 92.A NH2 PHE 537.A O no hydrogen 2.910 N/A THR 93.A N LEU 90.A O no hydrogen 2.753 N/A THR 94.A N LEU 90.A O no hydrogen 2.966 N/A THR 94.A OG1 SER 89.A OG no hydrogen 2.560 N/A THR 94.A OG1 LEU 90.A O no hydrogen 3.338 N/A THR 94.A OG1 THR 501.A OG1 no hydrogen 2.891 N/A ALA 95.A N PRO 91.A O no hydrogen 3.185 N/A ALA 96.A N THR 93.A O no hydrogen 3.133 N/A TYR 97.A N GLU 115.A O no hydrogen 2.939 N/A TYR 97.A OH ASP 546.A OD1 no hydrogen 2.866 N/A TYR 97.A OH ASP 546.A OD2 no hydrogen 3.019 N/A ASN 98.A ND2 SER 102.A O no hydrogen 2.855 N/A HIS 99.A ND1 ALA 21.A O no hydrogen 2.681 N/A LYS 100.A N ASN 98.A OD1 no hydrogen 2.976 N/A LYS 100.A NZ ASN 98.A OD1 no hydrogen 3.386 N/A LYS 100.A NZ TYR 104.A O no hydrogen 2.830 N/A LYS 100.A NZ GLU 106.A OE1 no hydrogen 2.807 N/A LYS 100.A NZ GLU 115.A OE2 no hydrogen 2.969 N/A GLY 101.A N ASN 98.A O no hydrogen 3.113 N/A TYR 105.A N GLU 530.A OE1 no hydrogen 2.859 N/A TYR 105.A OH GLU 107.A OE2 no hydrogen 3.090 N/A GLU 106.A N GLU 115.A OE1 no hydrogen 2.889 N/A ASP 109.A N PHE 113.A O no hydrogen 2.985 N/A LEU 111.A N ASP 109.A OD1 no hydrogen 3.081 N/A GLY 112.A N ASP 109.A O no hydrogen 3.022 N/A PHE 113.A N ASP 109.A OD1 no hydrogen 2.911 N/A ARG 114.A NE ASN 108.A OD1 no hydrogen 2.910 N/A ARG 114.A NH1 ARG 169.A O no hydrogen 3.319 N/A ARG 114.A NH1 HIS 171.A O no hydrogen 2.824 N/A ARG 114.A NH2 ASN 108.A OD1 no hydrogen 3.376 N/A GLU 115.A N GLU 107.A O no hydrogen 2.996 N/A GLY 117.A N ARG 92.A O no hydrogen 2.995 N/A THR 118.A OG1 ASP 172.A OD2 no hydrogen 2.888 N/A PHE 119.A N TYR 170.A O no hydrogen 3.141 N/A LYS 121.A N THR 118.A OG1 no hydrogen 3.228 N/A LYS 121.A NZ ALA 95.A O no hydrogen 2.911 N/A LYS 121.A NZ HIS 99.A NE2 no hydrogen 2.712 N/A LYS 121.A NZ ARG 114.A O no hydrogen 3.129 N/A LYS 121.A NZ GLU 115.A O no hydrogen 3.058 N/A LYS 121.A NZ ALA 116.A O no hydrogen 3.002 N/A MET 122.A N THR 118.A O no hydrogen 2.935 N/A MET 123.A N PHE 119.A O no hydrogen 3.111 N/A MET 123.A N PHE 120.A O no hydrogen 3.107 N/A LEU 124.A N PHE 120.A O no hydrogen 3.140 N/A LEU 125.A N LYS 121.A O no hydrogen 2.974 N/A LEU 126.A N MET 123.A O no hydrogen 3.039 N/A VAL 129.A N LEU 125.A O no hydrogen 2.917 N/A LYS 130.A N LEU 126.A O no hydrogen 2.932 N/A LYS 130.A NZ LEU 194.A O no hydrogen 3.204 N/A SER 131.A N PRO 127.A O no hydrogen 2.915 N/A SER 131.A OG PHE 128.A O no hydrogen 2.647 N/A LEU 132.A N VAL 129.A O no hydrogen 3.020 N/A GLY 133.A N LYS 130.A O no hydrogen 3.053 N/A ASP 135.A N VAL 85.A O no hydrogen 2.835 N/A ILE 137.A N ARG 197.A O no hydrogen 2.807 N/A TYR 138.A N TYR 87.A O no hydrogen 2.886 N/A TYR 138.A OH ASP 201.A OD2 no hydrogen 2.727 N/A LEU 139.A N ILE 199.A O no hydrogen 2.980 N/A LEU 140.A N SER 89.A O no hydrogen 3.037 N/A ARG 144.A N GLU 165.A O no hydrogen 2.828 N/A ARG 144.A NH1 ASP 212.A OD2 no hydrogen 2.970 N/A MET 145.A N ASP 167.A OD2 no hydrogen 2.812 N/A SER 146.A N SER 159.A O no hydrogen 2.859 N/A SER 146.A OG ASP 210.A OD1 no hydrogen 2.708 N/A LEU 148.A N SER 146.A OG no hydrogen 3.066 N/A LYS 150.A NZ ASP 147.A OD2 no hydrogen 3.562 N/A LYS 150.A NZ ASP 153.A O no hydrogen 3.483 N/A ASP 153.A N ASP 539.A OD1 no hydrogen 3.163 N/A ALA 154.A N PHE 538.A O no hydrogen 3.016 N/A TYR 158.A N SER 156.A OG no hydrogen 3.272 N/A SER 159.A N SER 156.A O no hydrogen 3.070 N/A SER 159.A OG ASP 317.A O no hydrogen 2.744 N/A LYS 161.A N ARG 144.A O no hydrogen 2.694 N/A ASN 162.A N ARG 144.A O no hydrogen 3.373 N/A ASN 162.A ND2 ASP 212.A OD2 no hydrogen 3.002 N/A MET 164.A N ASN 162.A OD1 no hydrogen 3.151 N/A GLU 165.A N ASN 162.A O no hydrogen 3.338 N/A ASP 167.A N VAL 142.A O no hydrogen 3.054 N/A ARG 169.A N ASP 167.A OD1 no hydrogen 2.894 N/A ARG 169.A NE ASP 167.A OD1 no hydrogen 2.878 N/A ARG 169.A NH1 ASP 147.A OD2 no hydrogen 2.854 N/A ARG 169.A NH2 ASP 147.A OD2 no hydrogen 3.545 N/A ARG 169.A NH2 ASP 167.A OD2 no hydrogen 2.951 N/A TYR 170.A N ASP 167.A O no hydrogen 3.050 N/A HIS 171.A N GLU 168.A O no hydrogen 2.973 N/A HIS 171.A ND1 GLU 183.A OE2 no hydrogen 2.581 N/A ASP 172.A N GLU 183.A OE1 no hydrogen 3.043 N/A LEU 174.A N ASP 172.A OD1 no hydrogen 2.948 N/A LEU 175.A N ASP 172.A O no hydrogen 2.846 N/A PHE 178.A N LEU 175.A O no hydrogen 2.902 N/A LYS 179.A N GLU 182.A OE1 no hydrogen 2.701 N/A LYS 179.A NZ GLU 168.A OE1 no hydrogen 3.477 N/A GLU 182.A N LYS 179.A O no hydrogen 2.964 N/A GLU 183.A N LYS 179.A O no hydrogen 3.031 N/A PHE 184.A N VAL 180.A O no hydrogen 3.041 N/A LYS 185.A N ASP 181.A O no hydrogen 3.125 N/A ALA 186.A N GLU 182.A O no hydrogen 2.849 N/A PHE 187.A N GLU 183.A O no hydrogen 2.846 N/A VAL 188.A N PHE 184.A O no hydrogen 2.905 N/A GLU 189.A N LYS 185.A O no hydrogen 3.002 N/A ALA 190.A N ALA 186.A O no hydrogen 2.977 N/A CYS 191.A N PHE 187.A O no hydrogen 3.100 N/A CYS 191.A SG PHE 187.A O no hydrogen 3.523 N/A HIS 192.A N VAL 188.A O no hydrogen 2.996 N/A HIS 192.A ND1 TYR 65.A O no hydrogen 3.089 N/A HIS 192.A NE2 ASP 380.A OD1 no hydrogen 2.801 N/A ILE 193.A N GLU 189.A O no hydrogen 2.952 N/A LEU 194.A N ALA 190.A O no hydrogen 3.188 N/A GLY 195.A N HIS 192.A O no hydrogen 2.922 N/A ILE 196.A N CYS 191.A O no hydrogen 2.759 N/A ARG 197.A N ASP 135.A O no hydrogen 2.994 N/A ARG 197.A NH1 GLU 75.A OE1 no hydrogen 2.950 N/A ARG 197.A NH2 GLU 75.A OE1 no hydrogen 3.497 N/A ARG 197.A NH2 GLU 75.A OE2 no hydrogen 3.310 N/A VAL 198.A N ASP 380.A OD1 no hydrogen 2.729 N/A ILE 199.A N ILE 137.A O no hydrogen 3.037 N/A LEU 200.A N GLY 381.A O no hydrogen 3.058 N/A PHE 202.A N ARG 383.A O no hydrogen 2.929 N/A ARG 205.A NE ILE 348.A O no hydrogen 2.874 N/A ARG 205.A NH1 VAL 347.A O no hydrogen 3.073 N/A ARG 205.A NH1 ILE 348.A O no hydrogen 3.533 N/A ARG 205.A NH2 ARG 205.A O no hydrogen 2.921 N/A ARG 205.A NH2 LEU 321.A O no hydrogen 2.828 N/A ALA 207.A N THR 319.A O no hydrogen 3.005 N/A ALA 208.A N VAL 160.A O no hydrogen 2.881 N/A ARG 209.A NE THR 300.A O no hydrogen 3.062 N/A ARG 209.A NE THR 300.A OG1 no hydrogen 3.405 N/A ARG 209.A NH1 ASP 316.A O no hydrogen 2.646 N/A ARG 209.A NH2 THR 300.A O no hydrogen 2.848 N/A SER 211.A N ALA 208.A O no hydrogen 3.219 N/A ASP 212.A N LYS 161.A O no hydrogen 2.790 N/A LEU 213.A N SER 211.A OG no hydrogen 3.112 N/A ILE 214.A N SER 211.A O no hydrogen 3.012 N/A ARG 215.A NH1 LYS 282.A O no hydrogen 3.193 N/A HIS 217.A N LEU 213.A O no hydrogen 2.885 N/A HIS 217.A NE2 GLU 361.A OE1 no hydrogen 3.224 N/A ASP 219.A N ASP 219.A OD1 no hydrogen 2.618 N/A TRP 220.A N HIS 217.A O no hydrogen 2.956 N/A TRP 223.A NE1 PRO 218.A O no hydrogen 3.049 N/A ILE 224.A N ILE 299.A O no hydrogen 2.899 N/A LYS 225.A N LYS 265.A O no hydrogen 3.076 N/A LYS 225.A NZ LYS 264.A O no hydrogen 3.138 N/A VAL 226.A N GLY 297.A O no hydrogen 3.130 N/A GLU 228.A N LYS 225.A O no hydrogen 2.661 N/A LEU 229.A N VAL 226.A O no hydrogen 2.734 N/A TYR 232.A N LEU 229.A O no hydrogen 3.222 N/A ALA 237.A N ASN 309.A OD1 no hydrogen 2.870 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.459 N/A LEU 240.A N ALA 237.A O no hydrogen 2.750 N/A LYS 243.A NZ ASP 246.A OD2 no hydrogen 3.418 N/A ASP 246.A N GLU 249.A OE1 no hydrogen 3.063 N/A GLU 249.A N ASP 246.A OD1 no hydrogen 2.847 N/A LEU 250.A N ASP 246.A O no hydrogen 3.342 N/A LEU 250.A N GLU 247.A O no hydrogen 3.131 N/A ILE 253.A N GLU 249.A O no hydrogen 2.833 N/A TYR 254.A N LEU 250.A O no hydrogen 2.806 N/A TYR 254.A OH TYR 342.A OH no hydrogen 2.811 N/A TYR 254.A OH ASP 346.A OD1 no hydrogen 3.407 N/A TYR 254.A OH ASP 346.A OD2 no hydrogen 2.631 N/A ASN 255.A N ILE 252.A O no hydrogen 2.940 N/A ASN 255.A ND2 GLU 251.A O no hydrogen 2.758 N/A LYS 256.A N ILE 253.A O no hydrogen 3.007 N/A LYS 256.A NZ GLU 239.A OE2 no hydrogen 2.856 N/A ASN 258.A ND2 ARG 236.A O no hydrogen 2.987 N/A LYS 260.A N LYS 256.A O no hydrogen 3.164 N/A ARG 261.A N GLU 257.A O no hydrogen 3.116 N/A HIS 262.A N ASN 258.A O no hydrogen 3.045 N/A HIS 262.A NE2 VAL 343.A O no hydrogen 2.697 N/A LEU 263.A N VAL 259.A O no hydrogen 2.838 N/A LYS 264.A N LYS 260.A O no hydrogen 3.304 N/A LYS 264.A N ARG 261.A O no hydrogen 3.130 N/A LYS 265.A N HIS 262.A O no hydrogen 2.840 N/A THR 267.A N TRP 223.A O no hydrogen 2.919 N/A THR 267.A OG1 LEU 268.A O no hydrogen 2.987 N/A LEU 272.A N PRO 269.A O no hydrogen 3.099 N/A ILE 273.A N PRO 269.A O no hydrogen 3.224 N/A ILE 273.A N PRO 270.A O no hydrogen 3.330 N/A ASP 274.A N PRO 270.A O no hydrogen 3.288 N/A LYS 277.A N ASP 274.A OD1 no hydrogen 3.083 N/A LYS 277.A NZ GLU 295.A O no hydrogen 3.095 N/A TRP 278.A N ASP 274.A O no hydrogen 2.823 N/A GLU 279.A N PRO 275.A O no hydrogen 3.239 N/A LYS 280.A N GLN 276.A O no hydrogen 3.171 N/A ILE 281.A N LYS 277.A O no hydrogen 3.044 N/A LYS 282.A N TRP 278.A O no hydrogen 2.596 N/A ARG 283.A N LYS 280.A O no hydrogen 3.226 N/A GLU 284.A N ILE 281.A O no hydrogen 2.669 N/A ASN 287.A ND2 ASP 210.A OD2 no hydrogen 2.785 N/A LEU 289.A N ASN 287.A OD1 no hydrogen 2.990 N/A GLU 290.A N ASN 287.A OD1 no hydrogen 3.144 N/A LEU 291.A N ASN 287.A O no hydrogen 3.183 N/A ILE 292.A N ILE 288.A O no hydrogen 3.039 N/A VAL 293.A N LEU 289.A O no hydrogen 2.934 N/A LYS 294.A N GLU 290.A O no hydrogen 3.080 N/A GLU 295.A N LEU 291.A O no hydrogen 2.792 N/A PHE 296.A N ILE 292.A O no hydrogen 2.718 N/A GLY 297.A N VAL 293.A O no hydrogen 2.745 N/A ILE 299.A N ILE 224.A O no hydrogen 2.954 N/A THR 300.A OG1 ARG 209.A O no hydrogen 2.829 N/A GLY 303.A N TRP 315.A O no hydrogen 2.998 N/A GLY 303.A N VAL 318.A O no hydrogen 2.968 N/A SER 305.A OG ASP 310.A OD2 no hydrogen 2.921 N/A LEU 307.A N SER 305.A OG no hydrogen 3.088 N/A ILE 308.A N LYS 243.A O no hydrogen 2.711 N/A ASN 309.A ND2 ALA 237.A O no hydrogen 2.824 N/A ASN 309.A ND2 PRO 241.A O no hydrogen 3.210 N/A GLN 312.A N ASP 310.A OD1 no hydrogen 2.795 N/A GLN 312.A NE2 ASP 310.A OD2 no hydrogen 3.121 N/A THR 314.A OG1 ASP 316.A OD1 no hydrogen 2.745 N/A TRP 315.A N GLY 303.A O no hydrogen 2.766 N/A TRP 315.A NE1 GLN 312.A OE1 no hydrogen 3.023 N/A VAL 318.A N TRP 315.A O no hydrogen 3.447 N/A THR 319.A N ALA 207.A O no hydrogen 2.777 N/A THR 319.A OG1 PRO 301.A O no hydrogen 2.621 N/A LEU 321.A N ARG 205.A O no hydrogen 3.226 N/A ARG 322.A N TRP 220.A O no hydrogen 2.644 N/A ARG 322.A NE TYR 324.A O no hydrogen 3.343 N/A ARG 322.A NH2 LEU 325.A O no hydrogen 2.823 N/A LEU 325.A N GLU 357.A O no hydrogen 2.808 N/A ASP 326.A N ASP 326.A OD2 no hydrogen 2.633 N/A HIS 327.A NE2 PRO 340.A O no hydrogen 3.148 N/A GLU 329.A N PRO 354.A O no hydrogen 2.928 N/A SER 331.A N PRO 328.A O no hydrogen 2.962 N/A SER 331.A OG ASP 346.A OD2 no hydrogen 2.828 N/A LYS 332.A N PRO 328.A O no hydrogen 3.226 N/A LYS 332.A N GLU 329.A O no hydrogen 3.316 N/A LYS 332.A NZ ASP 326.A OD1 no hydrogen 2.703 N/A LYS 332.A NZ GLU 329.A OE1 no hydrogen 2.637 N/A PHE 334.A N SER 331.A O no hydrogen 2.962 N/A LEU 335.A N LYS 332.A O no hydrogen 3.091 N/A GLN 339.A N ASP 336.A O no hydrogen 3.128 N/A GLN 339.A NE2 LEU 263.A O no hydrogen 3.128 N/A GLN 339.A NE2 PRO 340.A O no hydrogen 3.058 N/A TYR 342.A OH TYR 254.A OH no hydrogen 2.811 N/A TYR 345.A OH PRO 235.A O no hydrogen 2.652 N/A VAL 347.A N ASP 346.A OD1 no hydrogen 2.724 N/A ILE 348.A N LEU 344.A O no hydrogen 3.054 N/A LYS 349.A N TYR 345.A O no hydrogen 3.369 N/A SER 351.A N ALA 389.A O no hydrogen 3.131 N/A SER 351.A OG HIS 388.A O no hydrogen 2.597 N/A LYS 352.A N LYS 349.A O no hydrogen 2.757 N/A PHE 353.A N LYS 349.A O no hydrogen 3.158 N/A LYS 356.A N ASP 326.A OD1 no hydrogen 2.508 N/A GLU 357.A N ASP 326.A OD2 no hydrogen 2.922 N/A ASN 359.A N LEU 323.A O no hydrogen 3.066 N/A ARG 360.A NH1 GLU 393.A OE2 no hydrogen 2.407 N/A LEU 362.A N ASN 359.A O no hydrogen 2.836 N/A TRP 363.A N ASN 359.A O no hydrogen 2.912 N/A TRP 363.A NE1 LEU 323.A O no hydrogen 2.919 N/A GLU 364.A N ARG 360.A O no hydrogen 2.876 N/A TYR 365.A N GLU 361.A O no hydrogen 3.263 N/A LEU 366.A N LEU 362.A O no hydrogen 2.832 N/A ALA 367.A N TRP 363.A O no hydrogen 2.997 N/A GLY 368.A N TYR 365.A O no hydrogen 2.925 N/A VAL 369.A N LEU 366.A O no hydrogen 3.269 N/A HIS 372.A N GLY 368.A O no hydrogen 3.220 N/A TYR 373.A N ILE 370.A O no hydrogen 2.658 N/A TYR 373.A OH PRO 163.A O no hydrogen 2.793 N/A GLN 374.A N ILE 370.A O no hydrogen 2.850 N/A LYS 375.A N PRO 371.A O no hydrogen 2.902 N/A LYS 376.A N HIS 372.A O no hydrogen 2.975 N/A TYR 377.A N TYR 373.A O no hydrogen 2.964 N/A GLY 378.A N TYR 373.A O no hydrogen 3.156 N/A GLY 378.A N GLN 374.A O no hydrogen 2.641 N/A ASP 380.A N VAL 198.A O no hydrogen 2.811 N/A GLY 381.A N VAL 198.A O no hydrogen 3.191 N/A ALA 382.A N VAL 410.A O no hydrogen 2.857 N/A ARG 383.A N LEU 200.A O no hydrogen 2.735 N/A ARG 383.A NE ASP 385.A OD2 no hydrogen 2.576 N/A ARG 383.A NH2 ASP 385.A OD2 no hydrogen 3.318 N/A ARG 383.A NH2 GLU 414.A OE1 no hydrogen 3.263 N/A LEU 384.A N ILE 412.A O no hydrogen 2.958 N/A ASP 385.A N PHE 202.A O no hydrogen 2.790 N/A MET 386.A N GLU 414.A OE2 no hydrogen 3.081 N/A HIS 388.A NE2 GLU 415.A OE2 no hydrogen 2.859 N/A ALA 389.A N MET 386.A O no hydrogen 3.218 N/A LEU 390.A N GLY 387.A O no hydrogen 3.249 N/A LYS 392.A NZ ASP 396.A OD1 no hydrogen 2.509 N/A LEU 395.A N PRO 391.A O no hydrogen 3.025 N/A ASP 396.A N LYS 392.A O no hydrogen 2.877 N/A LEU 397.A N GLU 393.A O no hydrogen 3.084 N/A ILE 398.A N LEU 394.A O no hydrogen 3.037 N/A ILE 399.A N LEU 395.A O no hydrogen 3.034 N/A LYS 400.A N ASP 396.A O no hydrogen 2.855 N/A LYS 400.A NZ ASN 401.A OD1 no hydrogen 2.668 N/A ASN 401.A N LEU 397.A O no hydrogen 3.000 N/A ASN 401.A ND2 ALA 367.A O no hydrogen 2.876 N/A LYS 403.A N ILE 399.A O no hydrogen 2.980 N/A LYS 403.A NZ PHE 409.A O no hydrogen 2.566 N/A LYS 403.A NZ ASP 430.A OD2 no hydrogen 2.928 N/A GLU 404.A N LYS 400.A O no hydrogen 2.761 N/A ASP 406.A N VAL 402.A O no hydrogen 2.935 N/A ALA 408.A N ASP 406.A OD2 no hydrogen 2.919 N/A PHE 409.A N ASP 406.A O no hydrogen 3.074 N/A VAL 410.A N ASP 380.A O no hydrogen 3.395 N/A MET 411.A N ASP 430.A OD2 no hydrogen 2.944 N/A ILE 412.A N ALA 382.A O no hydrogen 2.696 N/A ALA 413.A N VAL 431.A O no hydrogen 3.011 N/A ASP 417.A N GLU 415.A OE1 no hydrogen 2.891 N/A GLU 419.A N ASP 417.A OD1 no hydrogen 2.887 N/A LYS 420.A N ASP 417.A O no hydrogen 2.796 N/A LYS 420.A NZ ASP 417.A OD2 no hydrogen 2.823 N/A SER 424.A N LYS 420.A O no hydrogen 2.998 N/A SER 424.A OG LYS 420.A O no hydrogen 2.728 N/A LYS 425.A N ASP 421.A O no hydrogen 2.833 N/A GLU 426.A N LYS 422.A O no hydrogen 2.970 N/A ALA 427.A N ALA 423.A O no hydrogen 2.873 N/A ALA 427.A N SER 424.A O no hydrogen 3.092 N/A GLY 428.A N LYS 425.A O no hydrogen 3.091 N/A TYR 429.A N SER 424.A O no hydrogen 3.082 N/A ASP 430.A N MET 411.A O no hydrogen 2.917 N/A VAL 431.A N MET 411.A O no hydrogen 3.252 N/A ILE 432.A N PRO 459.A O no hydrogen 3.079 N/A LEU 433.A N ALA 413.A O no hydrogen 3.155 N/A GLY 434.A N GLU 415.A O no hydrogen 2.746 N/A SER 435.A OG LEU 416.A O no hydrogen 2.838 N/A SER 436.A OG SER 463.A O no hydrogen 3.064 N/A TYR 438.A N SER 435.A O no hydrogen 2.904 N/A ALA 440.A N SER 436.A O no hydrogen 2.861 N/A GLY 441.A N TRP 437.A O no hydrogen 3.332 N/A ARG 442.A N PHE 439.A O no hydrogen 2.989 N/A GLU 444.A N GLU 444.A OE1 no hydrogen 2.839 N/A GLU 445.A N ARG 442.A O no hydrogen 2.669 N/A ILE 446.A N ARG 442.A O no hydrogen 2.685 N/A LYS 448.A N GLU 445.A O no hydrogen 3.102 N/A LYS 448.A NZ GLU 445.A OE2 no hydrogen 2.860 N/A LEU 449.A N ILE 446.A O no hydrogen 3.049 N/A ILE 452.A N LYS 448.A O no hydrogen 3.320 N/A ALA 453.A N LEU 449.A O no hydrogen 2.872 N/A GLU 454.A N PRO 450.A O no hydrogen 3.124 N/A GLU 455.A N ASP 451.A O no hydrogen 3.195 N/A LEU 456.A N ALA 453.A O no hydrogen 3.079 N/A VAL 457.A N ASP 421.A OD2 no hydrogen 2.807 N/A PHE 460.A N ASN 494.A O no hydrogen 2.979 N/A LEU 461.A N ILE 432.A O no hydrogen 3.194 N/A ALA 462.A N ILE 496.A O no hydrogen 2.967 N/A SER 463.A N SER 436.A OG no hydrogen 3.171 N/A THR 466.A N THR 469.A OG1 no hydrogen 2.984 N/A ASP 468.A N THR 466.A OG1 no hydrogen 3.223 N/A THR 469.A N THR 466.A O no hydrogen 3.178 N/A THR 469.A OG1 THR 466.A O no hydrogen 3.316 N/A THR 469.A OG1 PRO 470.A O no hydrogen 3.110 N/A ARG 471.A NE GLN 509.A O no hydrogen 3.014 N/A ARG 471.A NH1 GLU 465.A OE1 no hydrogen 2.880 N/A ARG 471.A NH1 THR 501.A O no hydrogen 2.829 N/A ARG 471.A NH2 THR 501.A O no hydrogen 3.370 N/A ILE 472.A N GLU 465.A OE2 no hydrogen 2.807 N/A THR 474.A N ARG 471.A O no hydrogen 3.071 N/A THR 474.A OG1 ARG 471.A O no hydrogen 2.840 N/A ARG 475.A N ILE 472.A O no hydrogen 3.168 N/A ARG 475.A NH1 ASP 516.A OD1 no hydrogen 3.048 N/A ARG 475.A NH2 ASP 516.A OD1 no hydrogen 3.238 N/A LYS 480.A N TYR 477.A O no hydrogen 2.840 N/A MET 481.A N TYR 477.A O no hydrogen 2.757 N/A LYS 482.A N ALA 478.A O no hydrogen 2.839 N/A LYS 482.A NZ ASP 549.A OD2 no hydrogen 2.937 N/A LYS 483.A N LYS 480.A O no hydrogen 3.244 N/A LEU 484.A N LYS 480.A O no hydrogen 3.028 N/A ALA 485.A N MET 481.A O no hydrogen 2.957 N/A PHE 487.A N LYS 483.A O no hydrogen 3.257 N/A VAL 488.A N LEU 484.A O no hydrogen 3.099 N/A THR 489.A N ALA 485.A O no hydrogen 3.019 N/A THR 489.A OG1 ALA 485.A O no hydrogen 2.679 N/A TYR 490.A N PRO 486.A O no hydrogen 2.711 N/A TYR 490.A OH TYR 498.A O no hydrogen 2.720 N/A LEU 492.A N THR 489.A O no hydrogen 3.096 N/A ASN 494.A ND2 ALA 453.A O no hydrogen 2.887 N/A SER 495.A OG TYR 490.A O no hydrogen 3.231 N/A SER 495.A OG LEU 492.A O no hydrogen 2.647 N/A ILE 496.A N PHE 460.A O no hydrogen 3.022 N/A TYR 498.A N ALA 462.A O no hydrogen 3.076 N/A VAL 499.A N VAL 86.A O no hydrogen 2.819 N/A ASN 500.A N GLN 503.A OE1 no hydrogen 3.099 N/A ASN 500.A ND2 TYR 498.A OH no hydrogen 2.974 N/A THR 501.A N GLY 88.A O no hydrogen 2.875 N/A THR 501.A OG1 TYR 87.A OH no hydrogen 2.939 N/A THR 501.A OG1 THR 94.A OG1 no hydrogen 2.891 N/A GLY 502.A N GLU 504.A OE2 no hydrogen 2.783 N/A GLN 503.A N ASN 500.A O no hydrogen 2.721 N/A GLN 503.A NE2 TYR 490.A OH no hydrogen 3.121 N/A GLU 504.A N GLU 504.A OE2 no hydrogen 2.733 N/A ILE 505.A N GLY 502.A O no hydrogen 3.042 N/A GLY 506.A N GLN 503.A O no hydrogen 2.851 N/A GLU 507.A N GLY 502.A O no hydrogen 2.982 N/A GLN 509.A NE2 LEU 521.A O no hydrogen 3.662 N/A ASN 512.A ND2 ASP 468.A OD1 no hydrogen 2.959 N/A LEU 515.A N ASP 468.A O no hydrogen 2.784 N/A THR 517.A OG1 LEU 515.A O no hydrogen 2.744 N/A LEU 521.A N ASP 518.A O no hydrogen 2.733 N/A ARG 522.A N PRO 519.A O no hydrogen 3.053 N/A LYS 523.A N ASN 520.A O no hydrogen 3.046 N/A VAL 524.A N LEU 521.A O no hydrogen 3.180 N/A SER 526.A OG THR 528.A OG1 no hydrogen 2.517 N/A THR 528.A N SER 526.A OG no hydrogen 2.984 N/A THR 528.A OG1 SER 526.A OG no hydrogen 2.517 N/A ASP 529.A N SER 526.A O no hydrogen 2.693 N/A PHE 531.A N ASP 529.A OD1 no hydrogen 2.720 N/A PHE 532.A N ASP 529.A O no hydrogen 2.816 N/A LYS 534.A N PHE 531.A O no hydrogen 3.136 N/A PHE 537.A N MET 511.A O no hydrogen 3.138 N/A PHE 538.A N LEU 535.A O no hydrogen 2.875 N/A ASP 539.A N LEU 535.A O no hydrogen 2.998 N/A HIS 540.A N ASP 153.A OD1 no hydrogen 3.158 N/A TYR 541.A OH GLU 507.A OE1 no hydrogen 2.647 N/A HIS 544.A N GLU 507.A OE2 no hydrogen 2.963 N/A HIS 544.A ND1 GLU 507.A OE1 no hydrogen 2.631 N/A HIS 544.A NE2 ASP 529.A OD2 no hydrogen 2.755 N/A TRP 545.A N LEU 543.A O no hydrogen 2.928 N/A SER 547.A N HIS 544.A O no hydrogen 3.067 N/A ASP 549.A N ILE 505.A O no hydrogen 2.945 N/A VAL 552.A N ASP 549.A OD1 no hydrogen 3.151 N/A LEU 553.A N ASP 549.A O no hydrogen 3.038 N/A ASN 554.A N ARG 550.A O no hydrogen 2.970 N/A PHE 555.A N GLY 551.A O no hydrogen 3.200 N/A ILE 556.A N VAL 552.A O no hydrogen 2.915 N/A LYS 557.A N LEU 553.A O no hydrogen 3.243 N/A LYS 558.A N ASN 554.A O no hydrogen 3.019 N/A LYS 558.A NZ GLY 616.A O no hydrogen 3.209 N/A LEU 559.A N PHE 555.A O no hydrogen 2.682 N/A ILE 560.A N ILE 556.A O no hydrogen 2.997 N/A LYS 561.A N LYS 557.A O no hydrogen 3.120 N/A VAL 562.A N LYS 558.A O no hydrogen 2.928 N/A ARG 563.A N LEU 559.A O no hydrogen 2.870 N/A ARG 563.A NE TYR 490.A O no hydrogen 2.837 N/A ARG 563.A NH2 TYR 490.A O no hydrogen 3.526 N/A ARG 563.A NH2 SER 495.A O no hydrogen 3.070 N/A ARG 563.A NH2 SER 495.A OG no hydrogen 2.882 N/A HIS 564.A N ILE 560.A O no hydrogen 2.914 N/A GLU 565.A N LYS 561.A O no hydrogen 2.958 N/A PHE 566.A N VAL 562.A O no hydrogen 3.188 N/A PHE 566.A N ARG 563.A O no hydrogen 3.226 N/A LEU 567.A N HIS 564.A O no hydrogen 3.124 N/A PHE 569.A N PHE 566.A O no hydrogen 2.925 N/A VAL 570.A N PHE 566.A O no hydrogen 3.508 N/A LEU 571.A N LEU 567.A O no hydrogen 2.891 N/A ASN 572.A N ASP 568.A O no hydrogen 2.860 N/A ASN 572.A ND2 ASP 568.A OD1 no hydrogen 2.881 N/A GLY 573.A N PHE 569.A O no hydrogen 2.679 N/A LYS 574.A N GLU 589.A O no hydrogen 2.776 N/A GLU 576.A N SER 587.A O no hydrogen 2.965 N/A ASN 577.A ND2 THR 579.A OG1 no hydrogen 2.765 N/A ASN 577.A ND2 MET 585.A O no hydrogen 3.104 N/A LEU 578.A N MET 585.A O no hydrogen 2.717 N/A THR 579.A OG1 MET 585.A O no hydrogen 3.060 N/A THR 580.A N LEU 583.A O no hydrogen 2.678 N/A THR 580.A OG1 LEU 583.A O no hydrogen 3.553 N/A LYS 581.A NZ LYS 581.A O no hydrogen 3.053 N/A LEU 583.A N THR 580.A OG1 no hydrogen 2.996 N/A VAL 584.A N ALA 599.A O no hydrogen 2.995 N/A MET 585.A N THR 579.A OG1 no hydrogen 3.053 N/A TYR 586.A N ILE 597.A O no hydrogen 3.204 N/A TYR 586.A OH VAL 488.A O no hydrogen 2.722 N/A SER 587.A N GLU 576.A O no hydrogen 2.832 N/A TYR 588.A N ILE 595.A O no hydrogen 3.121 N/A TYR 588.A OH PHE 491.A O no hydrogen 2.941 N/A GLU 589.A N LYS 574.A O no hydrogen 2.890 N/A LYS 590.A N GLN 593.A O no hydrogen 2.766 N/A GLN 593.A N LYS 590.A O no hydrogen 2.813 N/A ILE 595.A N TYR 588.A O no hydrogen 3.029 N/A VAL 596.A N VAL 634.A O no hydrogen 2.758 N/A ILE 597.A N TYR 586.A O no hydrogen 2.951 N/A ALA 598.A N ALA 632.A O no hydrogen 2.945 N/A ALA 599.A N VAL 584.A O no hydrogen 3.048 N/A ASN 600.A N GLU 630.A O no hydrogen 2.821 N/A ASN 600.A ND2 ASP 582.A O no hydrogen 2.999 N/A VAL 601.A N ASP 582.A O no hydrogen 3.085 N/A LYS 606.A N LEU 626.A O no hydrogen 2.910 N/A ILE 608.A N VAL 624.A O no hydrogen 2.792 N/A GLY 610.A N GLU 622.A O no hydrogen 2.694 N/A GLY 611.A N GLU 621.A O no hydrogen 2.723 N/A ARG 612.A N VAL 635.A O no hydrogen 3.135 N/A VAL 613.A N SER 619.A O no hydrogen 2.867 N/A TRP 614.A N LEU 633.A O no hydrogen 2.846 N/A ASN 615.A N LYS 617.A O no hydrogen 3.178 N/A LYS 617.A N ASN 615.A OD1 no hydrogen 3.308 N/A SER 619.A N VAL 613.A O no hydrogen 2.846 N/A SER 619.A OG GLU 621.A OE1 no hydrogen 3.071 N/A SER 619.A OG GLU 621.A OE2 no hydrogen 2.939 N/A GLU 621.A N GLY 611.A O no hydrogen 3.218 N/A VAL 624.A N ILE 608.A O no hydrogen 2.798 N/A LEU 626.A N LYS 606.A O no hydrogen 2.603 N/A LYS 627.A N GLU 630.A OE1 no hydrogen 2.639 N/A LEU 629.A N ASN 600.A O no hydrogen 2.549 N/A GLU 630.A N LYS 627.A O no hydrogen 3.267 N/A ALA 632.A N ALA 598.A O no hydrogen 2.874 N/A LEU 633.A N TRP 614.A O no hydrogen 2.719 N/A VAL 634.A N VAL 596.A O no hydrogen 2.736 N/A VAL 635.A N ARG 612.A O no hydrogen 2.829 N/A GLN 636.A N LYS 594.A O no hydrogen 3.002 N/A