Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kik_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A N TRP 7.A O no hydrogen 2.740 N/A CYS 4.A SG PRO 69.A O no hydrogen 4.017 N/A CYS 4.A SG GLU 70.A O no hydrogen 3.551 N/A TRP 7.A N CYS 4.A O no hydrogen 3.254 N/A GLU 8.A N HIS 22.A O no hydrogen 2.899 N/A MET 9.A N GLN 2.A O no hydrogen 2.925 N/A LYS 10.A N ARG 20.A O no hydrogen 2.750 N/A LYS 10.A NZ GLU 8.A OE1 no hydrogen 3.297 N/A GLU 11.A N GLU 11.A OE1 no hydrogen 2.834 N/A LEU 13.A N VAL 18.A O no hydrogen 2.750 N/A VAL 18.A N GLY 14.A O no hydrogen 3.034 N/A ILE 19.A N ILE 32.A O no hydrogen 3.149 N/A ARG 20.A N GLU 11.A O no hydrogen 3.060 N/A ARG 20.A NE GLU 11.A OE1 no hydrogen 3.221 N/A ARG 20.A NE GLU 11.A OE2 no hydrogen 2.805 N/A ARG 20.A NH2 GLU 11.A OE1 no hydrogen 2.989 N/A TRP 21.A N ILE 30.A O no hydrogen 3.003 N/A HIS 22.A N GLU 8.A O no hydrogen 2.840 N/A ASN 23.A N GLU 28.A O no hydrogen 2.807 N/A GLN 24.A N ALA 6.A O no hydrogen 2.801 N/A GLN 24.A NE2 ALA 6.A O no hydrogen 3.377 N/A GLU 25.A N ASN 23.A OD1 no hydrogen 2.998 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.821 N/A GLY 27.A N ASN 23.A O no hydrogen 2.775 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.370 N/A ILE 30.A N TRP 21.A O no hydrogen 3.090 N/A ALA 31.A N MET 81.A O no hydrogen 2.829 N/A ILE 32.A N ILE 19.A O no hydrogen 2.815 N/A LYS 33.A N LEU 79.A O no hydrogen 2.850 N/A LYS 33.A NZ GLU 50.A OE1 no hydrogen 3.532 N/A LYS 33.A NZ GLU 50.A OE2 no hydrogen 2.985 N/A LYS 33.A NZ ASP 151.A OD1 no hydrogen 3.559 N/A GLN 34.A N ASN 17.A O no hydrogen 3.020 N/A ARG 44.A N SER 40.A O no hydrogen 2.950 N/A GLU 45.A N PRO 41.A O no hydrogen 3.121 N/A ARG 46.A N ARG 42.A O no hydrogen 2.933 N/A ARG 46.A NE ASN 43.A OD1 no hydrogen 2.932 N/A TRP 47.A N ASN 43.A O no hydrogen 3.035 N/A TRP 47.A NE1 PRO 77.A O no hydrogen 2.957 N/A CYS 48.A N ARG 44.A O no hydrogen 3.235 N/A CYS 48.A SG ARG 44.A O no hydrogen 3.331 N/A LEU 49.A N GLU 45.A O no hydrogen 2.921 N/A GLU 50.A N ARG 46.A O no hydrogen 3.301 N/A ILE 51.A N TRP 47.A O no hydrogen 3.339 N/A GLN 52.A N CYS 48.A O no hydrogen 3.035 N/A ILE 53.A N LEU 49.A O no hydrogen 2.950 N/A MET 54.A N GLU 50.A O no hydrogen 2.989 N/A ARG 55.A N ILE 51.A O no hydrogen 3.142 N/A ARG 56.A N GLN 52.A O no hydrogen 3.238 N/A ARG 56.A N ILE 53.A O no hydrogen 3.177 N/A LEU 57.A N ILE 53.A O no hydrogen 3.071 N/A THR 58.A N TYR 120.A OH no hydrogen 2.943 N/A ASN 61.A N HIS 59.A ND1 no hydrogen 2.962 N/A ASN 61.A ND2 HIS 147.A O no hydrogen 3.224 N/A VAL 62.A N HIS 59.A O no hydrogen 3.136 N/A VAL 63.A N ILE 149.A O no hydrogen 3.186 N/A ALA 64.A N GLU 82.A OE2 no hydrogen 3.154 N/A ARG 66.A N ALA 80.A O no hydrogen 2.824 N/A MET 72.A N PRO 69.A O no hydrogen 3.121 N/A GLN 73.A N GLY 71.A O no hydrogen 2.801 N/A LEU 79.A N LYS 33.A O no hydrogen 2.899 N/A MET 81.A N ALA 31.A O no hydrogen 2.761 N/A GLU 82.A N ALA 64.A O no hydrogen 2.993 N/A GLN 85.A N GLN 139.A OE1 no hydrogen 3.226 N/A GLY 86.A N LEU 138.A O no hydrogen 2.693 N/A GLY 87.A N CYS 84.A O no hydrogen 3.145 N/A LEU 89.A N ILE 136.A O no hydrogen 2.892 N/A ARG 90.A NE GLU 134.A OE2 no hydrogen 2.768 N/A ARG 90.A NH1 GLU 189.A OE2 no hydrogen 3.176 N/A ARG 90.A NH2 GLU 134.A OE1 no hydrogen 3.127 N/A ARG 90.A NH2 GLU 134.A OE2 no hydrogen 3.278 N/A ARG 90.A NH2 TYR 163.A OH no hydrogen 2.679 N/A TYR 92.A OH GLY 86.A O no hydrogen 2.730 N/A LEU 93.A N LEU 89.A O no hydrogen 2.918 N/A ASN 94.A N ARG 90.A O no hydrogen 2.915 N/A ASN 94.A N LYS 91.A O no hydrogen 3.271 N/A GLN 95.A N LYS 91.A O no hydrogen 3.213 N/A GLN 95.A N TYR 92.A O no hydrogen 3.122 N/A GLN 95.A NE2 LYS 91.A O no hydrogen 3.119 N/A GLU 97.A N GLU 97.A OE1 no hydrogen 2.779 N/A ASN 98.A N GLN 95.A O no hydrogen 2.818 N/A ASN 98.A ND2 TYR 92.A O no hydrogen 2.792 N/A CYS 99.A SG PHE 96.A O no hydrogen 3.304 N/A CYS 99.A SG GLY 399.A O no hydrogen 3.697 N/A LEU 102.A N CYS 190.A O no hydrogen 2.790 N/A ILE 107.A N ARG 103.A O no hydrogen 3.104 N/A ILE 107.A N GLU 104.A O no hydrogen 3.225 N/A LEU 108.A N GLU 104.A O no hydrogen 3.068 N/A THR 109.A N GLY 105.A O no hydrogen 3.059 N/A THR 109.A OG1 ALA 106.A O no hydrogen 3.376 N/A LEU 110.A N ALA 106.A O no hydrogen 3.184 N/A LEU 111.A N ILE 107.A O no hydrogen 2.937 N/A SER 112.A N LEU 108.A O no hydrogen 3.099 N/A ASP 113.A N THR 109.A O no hydrogen 3.125 N/A ILE 114.A N LEU 110.A O no hydrogen 2.908 N/A ALA 115.A N LEU 111.A O no hydrogen 2.917 N/A SER 116.A N SER 112.A O no hydrogen 3.180 N/A ALA 117.A N ASP 113.A O no hydrogen 3.265 N/A LEU 118.A N ILE 114.A O no hydrogen 2.990 N/A ARG 119.A N ALA 115.A O no hydrogen 2.951 N/A ARG 119.A NH1 ASP 278.A OD2 no hydrogen 3.444 N/A ARG 119.A NH2 ASP 278.A OD2 no hydrogen 2.742 N/A TYR 120.A N SER 116.A O no hydrogen 3.178 N/A LEU 121.A N ALA 117.A O no hydrogen 2.925 N/A HIS 122.A N LEU 118.A O no hydrogen 2.795 N/A HIS 122.A NE2 ASP 179.A OD1 no hydrogen 2.824 N/A GLU 123.A N ARG 119.A O no hydrogen 3.023 N/A ASN 124.A N TYR 120.A O no hydrogen 3.062 N/A ASN 124.A N LEU 121.A O no hydrogen 3.026 N/A ASN 124.A ND2 TYR 120.A O no hydrogen 2.812 N/A ARG 125.A N HIS 122.A O no hydrogen 3.125 N/A ILE 126.A N LEU 121.A O no hydrogen 2.880 N/A HIS 128.A N ASP 179.A OD1 no hydrogen 2.807 N/A HIS 128.A NE2 ILE 150.A O no hydrogen 2.843 N/A ARG 129.A N ASP 179.A OD2 no hydrogen 2.893 N/A ASP 130.A N HIS 128.A ND1 no hydrogen 3.247 N/A LYS 132.A NZ ASP 130.A OD1 no hydrogen 3.478 N/A LYS 132.A NZ ASP 130.A OD2 no hydrogen 3.523 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.861 N/A ASN 135.A N LYS 132.A O no hydrogen 2.811 N/A ASN 135.A ND2 ASP 130.A O no hydrogen 2.709 N/A ILE 136.A N PRO 133.A O no hydrogen 3.322 N/A VAL 137.A N LYS 148.A O no hydrogen 3.015 N/A LEU 138.A N GLY 87.A O no hydrogen 2.755 N/A GLN 139.A N ILE 146.A O no hydrogen 2.719 N/A GLN 139.A NE2 GLU 82.A OE1 no hydrogen 2.863 N/A GLN 139.A NE2 TYR 83.A O no hydrogen 2.757 N/A GLN 140.A N GLN 139.A OE1 no hydrogen 3.007 N/A GLN 140.A NE2 GLY 141.A O no hydrogen 2.818 N/A GLY 141.A N ARG 144.A O no hydrogen 2.902 N/A ARG 144.A NH1 ASP 113.A OD1 no hydrogen 3.425 N/A ARG 144.A NH1 ASP 113.A OD2 no hydrogen 2.804 N/A ARG 144.A NH2 ASP 113.A OD1 no hydrogen 2.747 N/A ARG 144.A NH2 ASP 113.A OD2 no hydrogen 3.555 N/A LEU 145.A N GLU 349.A OE1 no hydrogen 3.130 N/A ILE 146.A N GLN 139.A O no hydrogen 2.767 N/A HIS 147.A N ASP 113.A OD2 no hydrogen 2.944 N/A HIS 147.A ND1 ASP 113.A OD2 no hydrogen 2.819 N/A LYS 148.A N VAL 137.A O no hydrogen 2.770 N/A LYS 148.A NZ PRO 60.A O no hydrogen 3.025 N/A LYS 148.A NZ GLU 82.A OE2 no hydrogen 2.958 N/A ILE 149.A N ASN 61.A O no hydrogen 3.109 N/A ILE 150.A N ASN 135.A O no hydrogen 3.050 N/A THR 160.A N PHE 157.A O no hydrogen 3.176 N/A THR 160.A OG1 PHE 157.A O no hydrogen 2.764 N/A GLN 162.A N GLY 159.A O no hydrogen 3.279 N/A GLN 162.A NE2 VAL 158.A O no hydrogen 2.777 N/A TYR 163.A OH GLU 189.A OE1 no hydrogen 2.503 N/A TYR 163.A OH GLU 189.A OE2 no hydrogen 3.365 N/A LEU 164.A N LEU 161.A O no hydrogen 3.241 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 3.025 N/A LEU 168.A N ALA 165.A O no hydrogen 2.865 N/A LEU 169.A N PRO 166.A O no hydrogen 3.070 N/A GLU 170.A N GLU 167.A O no hydrogen 3.139 N/A GLN 171.A N GLU 167.A O no hydrogen 2.721 N/A THR 175.A OG1 THR 177.A OG1 no hydrogen 2.904 N/A THR 177.A OG1 THR 175.A OG1 no hydrogen 2.904 N/A THR 177.A OG1 PRO 259.A O no hydrogen 2.892 N/A VAL 178.A N THR 175.A O no hydrogen 3.032 N/A ASP 179.A N VAL 176.A O no hydrogen 2.867 N/A TYR 180.A OH ASN 271.A OD1 no hydrogen 2.842 N/A TRP 181.A N THR 177.A O no hydrogen 3.440 N/A SER 182.A N VAL 178.A O no hydrogen 3.502 N/A SER 182.A OG TYR 163.A O no hydrogen 2.817 N/A SER 182.A OG VAL 178.A O no hydrogen 3.418 N/A PHE 183.A N ASP 179.A O no hydrogen 3.081 N/A GLY 184.A N TYR 180.A O no hydrogen 2.825 N/A THR 185.A N TRP 181.A O no hydrogen 2.828 N/A THR 185.A OG1 TRP 181.A O no hydrogen 3.157 N/A THR 185.A OG1 SER 182.A O no hydrogen 2.821 N/A LEU 186.A N SER 182.A O no hydrogen 3.018 N/A ALA 187.A N PHE 183.A O no hydrogen 2.845 N/A PHE 188.A N GLY 184.A O no hydrogen 2.995 N/A GLU 189.A N THR 185.A O no hydrogen 2.959 N/A CYS 190.A N LEU 186.A O no hydrogen 3.045 N/A CYS 190.A SG LEU 186.A O no hydrogen 3.398 N/A ILE 191.A N ALA 187.A O no hydrogen 2.996 N/A ILE 191.A N PHE 188.A O no hydrogen 2.987 N/A THR 192.A N PHE 188.A O no hydrogen 2.896 N/A THR 192.A OG1 PHE 188.A O no hydrogen 2.881 N/A GLY 193.A N GLU 189.A O no hydrogen 2.773 N/A PHE 194.A N THR 192.A OG1 no hydrogen 3.360 N/A ARG 195.A NE GLN 162.A OE1 no hydrogen 3.247 N/A ARG 195.A NH1 TYR 163.A OH no hydrogen 3.355 N/A ARG 195.A NH1 GLU 189.A OE2 no hydrogen 3.526 N/A ARG 195.A NH2 GLN 162.A OE1 no hydrogen 2.815 N/A LEU 198.A N VAL 220.A O no hydrogen 2.867 N/A ASN 200.A N GLN 162.A OE1 no hydrogen 3.093 N/A TRP 201.A N LEU 198.A O no hydrogen 3.414 N/A TRP 201.A NE1 GLU 222.A OE1 no hydrogen 3.023 N/A GLN 205.A N GLN 205.A OE1 no hydrogen 2.751 N/A TRP 206.A N GLN 202.A O no hydrogen 2.800 N/A TRP 206.A NE1 PHE 197.A O no hydrogen 2.820 N/A HIS 207.A N PRO 203.A O no hydrogen 2.832 N/A HIS 207.A NE2 GLU 170.A OE2 no hydrogen 3.114 N/A SER 208.A N VAL 204.A O no hydrogen 3.102 N/A SER 208.A OG VAL 204.A O no hydrogen 3.254 N/A LYS 209.A N GLN 205.A O no hydrogen 2.972 N/A LYS 209.A N TRP 206.A O no hydrogen 3.087 N/A VAL 210.A N TRP 206.A O no hydrogen 2.862 N/A ARG 211.A N HIS 207.A O no hydrogen 3.165 N/A GLN 212.A N LYS 209.A O no hydrogen 3.113 N/A GLN 212.A NE2 SER 208.A O no hydrogen 2.812 N/A LYS 213.A N VAL 210.A O no hydrogen 3.081 N/A LYS 213.A NZ SER 214.A O no hydrogen 3.396 N/A LYS 213.A NZ ASP 217.A O no hydrogen 2.827 N/A LYS 213.A NZ LEU 255.A O no hydrogen 2.951 N/A SER 214.A N ASP 217.A OD1 no hydrogen 2.812 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.914 N/A ASP 217.A N SER 214.A O no hydrogen 3.214 N/A ILE 218.A N SER 231.A O no hydrogen 3.033 N/A VAL 219.A N SER 231.A O no hydrogen 3.298 N/A VAL 220.A N PRO 196.A O no hydrogen 3.055 N/A SER 221.A N LYS 229.A O no hydrogen 3.049 N/A ASP 223.A N THR 227.A O no hydrogen 2.921 N/A ASN 225.A N ASP 223.A OD2 no hydrogen 2.842 N/A THR 227.A N ASP 223.A OD2 no hydrogen 2.899 N/A LYS 229.A N SER 221.A O no hydrogen 2.871 N/A SER 231.A N VAL 219.A O no hydrogen 2.837 N/A LEU 233.A N GLU 248.A OE1 no hydrogen 3.196 N/A ASN 237.A ND2 PRO 234.A O no hydrogen 2.794 N/A ASN 238.A ND2 GLY 101.A O no hydrogen 3.116 N/A LEU 239.A N ASN 237.A OD1 no hydrogen 3.371 N/A ASN 240.A N GLU 104.A OE1 no hydrogen 2.918 N/A ASN 240.A ND2 GLU 104.A OE1 no hydrogen 3.074 N/A ASN 240.A ND2 GLU 104.A OE2 no hydrogen 2.930 N/A LEU 243.A N ASN 240.A OD1 no hydrogen 2.920 N/A ALA 244.A N ASN 240.A O no hydrogen 2.871 N/A GLU 245.A N SER 241.A O no hydrogen 3.188 N/A ARG 246.A N VAL 242.A O no hydrogen 2.846 N/A LEU 247.A N LEU 243.A O no hydrogen 2.779 N/A GLU 248.A N ALA 244.A O no hydrogen 3.015 N/A LYS 249.A N GLU 245.A O no hydrogen 3.468 N/A TRP 250.A N ARG 246.A O no hydrogen 3.270 N/A TRP 250.A NE1 CYS 273.A O no hydrogen 2.765 N/A LEU 251.A N LEU 247.A O no hydrogen 2.854 N/A GLN 252.A N GLU 248.A O no hydrogen 3.395 N/A GLN 252.A N LYS 249.A O no hydrogen 3.228 N/A LEU 253.A N TRP 250.A O no hydrogen 3.252 N/A MET 254.A N LEU 251.A O no hydrogen 3.030 N/A LEU 255.A N LEU 251.A O no hydrogen 2.823 N/A ARG 260.A N HIS 258.A ND1 no hydrogen 3.184 N/A GLN 261.A N HIS 258.A ND1 no hydrogen 2.995 N/A ARG 262.A N HIS 258.A O no hydrogen 3.073 N/A ARG 262.A NE MET 256.A O no hydrogen 2.772 N/A ARG 262.A NH1 GLU 167.A OE1 no hydrogen 3.127 N/A ARG 262.A NH1 GLU 167.A OE2 no hydrogen 2.787 N/A ARG 262.A NH1 THR 177.A O no hydrogen 2.856 N/A ARG 262.A NH2 GLU 167.A OE1 no hydrogen 2.859 N/A ARG 262.A NH2 MET 256.A O no hydrogen 3.032 N/A GLY 263.A N LEU 253.A O no hydrogen 2.803 N/A THR 264.A N GLN 261.A O no hydrogen 3.162 N/A THR 264.A OG1 GLN 261.A O no hydrogen 3.337 N/A ASP 265.A N GLY 269.A O no hydrogen 2.962 N/A THR 267.A N ASP 265.A OD2 no hydrogen 2.878 N/A TYR 268.A N ASP 265.A OD2 no hydrogen 3.002 N/A TYR 268.A OH ASP 279.A OD1 no hydrogen 3.395 N/A TYR 268.A OH ASP 279.A OD2 no hydrogen 2.640 N/A GLY 269.A N ASP 265.A O no hydrogen 2.944 N/A GLY 272.A N GLY 269.A O no hydrogen 3.137 N/A LYS 275.A NZ ASP 279.A OD1 no hydrogen 3.209 N/A ALA 276.A N GLY 272.A O no hydrogen 3.066 N/A LEU 277.A N CYS 273.A O no hydrogen 3.229 N/A ASP 278.A N PHE 274.A O no hydrogen 3.023 N/A ASP 279.A N LYS 275.A O no hydrogen 3.204 N/A ILE 280.A N ALA 276.A O no hydrogen 3.460 N/A LEU 281.A N LEU 277.A O no hydrogen 2.800 N/A ASN 282.A N ASP 278.A O no hydrogen 2.864 N/A LEU 283.A N ILE 280.A O no hydrogen 3.297 N/A VAL 286.A N TYR 299.A O no hydrogen 3.047 N/A HIS 287.A ND1 THR 298.A OG1 no hydrogen 2.922 N/A ILE 288.A N HIS 297.A O no hydrogen 2.768 N/A LEU 289.A N VAL 358.A O no hydrogen 2.821 N/A ASN 290.A N THR 295.A O no hydrogen 3.019 N/A MET 291.A N LEU 360.A O no hydrogen 2.926 N/A VAL 292.A N ASN 290.A OD1 no hydrogen 3.295 N/A GLY 294.A N ASN 290.A O no hydrogen 2.692 N/A HIS 297.A N ILE 288.A O no hydrogen 2.724 N/A THR 298.A OG1 HIS 287.A ND1 no hydrogen 2.922 N/A TYR 299.A N VAL 286.A O no hydrogen 2.742 N/A TYR 299.A OH ASP 317.A OD1 no hydrogen 2.742 N/A VAL 301.A N LYS 284.A O no hydrogen 2.807 N/A THR 302.A N GLU 305.A OE1 no hydrogen 3.403 N/A GLU 305.A N THR 302.A O no hydrogen 2.961 N/A SER 309.A N SER 306.A O no hydrogen 2.972 N/A SER 309.A N SER 306.A OG no hydrogen 3.300 N/A SER 309.A OG GLU 305.A OE2 no hydrogen 3.434 N/A LEU 310.A N SER 306.A O no hydrogen 3.324 N/A LYS 311.A N LEU 307.A O no hydrogen 2.836 N/A LYS 311.A NZ GLU 322.A O no hydrogen 3.155 N/A ALA 312.A N GLN 308.A O no hydrogen 3.052 N/A ARG 313.A N SER 309.A O no hydrogen 3.126 N/A ARG 313.A NH1 PRO 300.A O no hydrogen 2.784 N/A ARG 313.A NH1 GLU 305.A OE2 no hydrogen 3.051 N/A ARG 313.A NH2 PRO 300.A O no hydrogen 3.444 N/A ILE 314.A N LEU 310.A O no hydrogen 2.841 N/A GLN 315.A N LYS 311.A O no hydrogen 3.006 N/A ASP 317.A N ILE 314.A O no hydrogen 3.116 N/A THR 318.A N ILE 314.A O no hydrogen 2.912 N/A THR 318.A OG1 ILE 314.A O no hydrogen 2.698 N/A GLY 319.A N GLN 315.A O no hydrogen 2.831 N/A GLU 322.A N GLN 315.A OE1 no hydrogen 3.284 N/A ASP 324.A N PRO 321.A O no hydrogen 2.829 N/A GLN 325.A N PRO 321.A O no hydrogen 3.176 N/A GLN 325.A N GLU 322.A O no hydrogen 3.282 N/A GLN 325.A NE2 LYS 311.A O no hydrogen 2.885 N/A GLN 325.A NE2 ILE 320.A O no hydrogen 2.935 N/A GLU 326.A N PHE 361.A O no hydrogen 3.098 N/A LEU 328.A N PHE 359.A O no hydrogen 2.980 N/A GLN 329.A N LEU 333.A O no hydrogen 3.175 N/A GLY 332.A N GLN 329.A O no hydrogen 2.753 N/A LEU 335.A N LEU 327.A O no hydrogen 2.994 N/A ILE 336.A N GLN 343.A OE1 no hydrogen 2.975 N/A LYS 339.A N ILE 336.A O no hydrogen 3.120 N/A ALA 341.A N GLU 305.A O no hydrogen 2.859 N/A GLN 343.A N PRO 340.A O no hydrogen 2.990 N/A GLN 343.A NE2 ILE 336.A O no hydrogen 2.777 N/A GLN 343.A NE2 LYS 339.A O no hydrogen 3.453 N/A GLN 343.A NE2 PRO 340.A O no hydrogen 3.384 N/A CYS 344.A N ALA 341.A O no hydrogen 3.482 N/A CYS 344.A SG ALA 341.A O no hydrogen 3.326 N/A ILE 345.A N THR 342.A O no hydrogen 3.202 N/A ASN 348.A N HIS 351.A ND1.B no hydrogen 3.189 N/A ASN 348.A ND2 GLN 143.A O no hydrogen 2.991 N/A GLU 349.A N GLU 349.A OE1 no hydrogen 2.754 N/A HIS 351.A N.A ASN 348.A O no hydrogen 3.348 N/A HIS 351.A N.B ASN 348.A O no hydrogen 3.348 N/A HIS 351.A ND1.B ASN 348.A OD1 no hydrogen 2.752 N/A VAL 358.A N HIS 287.A O no hydrogen 2.997 N/A PHE 359.A N LEU 328.A O no hydrogen 2.786 N/A LEU 360.A N LEU 289.A O no hydrogen 2.864 N/A PHE 361.A N GLU 326.A O no hydrogen 3.030 N/A ASP 362.A N TYR 368.A OH no hydrogen 2.991 N/A ASN 363.A N ASP 324.A O no hydrogen 3.056 N/A SER 364.A N ASP 362.A OD1 no hydrogen 3.314 N/A SER 364.A OG ASP 362.A OD1 no hydrogen 2.819 N/A LYS 365.A N ASP 362.A O no hydrogen 3.067 N/A VAL 378.A N PRO 375.A O no hydrogen 3.162 N/A SER 379.A N PRO 375.A O no hydrogen 3.099 N/A SER 379.A OG PRO 375.A O no hydrogen 3.353 N/A SER 379.A OG GLU 376.A O no hydrogen 3.136 N/A CYS 380.A N GLU 376.A O no hydrogen 3.077 N/A ILE 381.A N SER 377.A O no hydrogen 3.166 N/A LEU 382.A N VAL 378.A O no hydrogen 2.903 N/A GLN 383.A N SER 379.A O no hydrogen 3.349 N/A ARG 387.A NH1 ASN 225.A OD1 no hydrogen 3.237 N/A ARG 387.A NH1 GLU 384.A OE2 no hydrogen 3.216 N/A ARG 387.A NH2 ASN 225.A OD1 no hydrogen 3.259 N/A LEU 389.A N GLY 540.A O no hydrogen 3.001 N/A ALA 390.A N GLN 393.A OE1 no hydrogen 3.152 N/A LEU 394.A N ALA 390.A O no hydrogen 2.861 N/A ARG 395.A N PHE 391.A O no hydrogen 2.877 N/A LYS 396.A N PHE 392.A O no hydrogen 3.286 N/A VAL 397.A N GLN 393.A O no hydrogen 3.096 N/A TRP 398.A N LEU 394.A O no hydrogen 2.913 N/A TRP 398.A NE1 SER 542.A OG no hydrogen 3.116 N/A GLY 399.A N ARG 395.A O no hydrogen 3.283 N/A GLN 400.A N LYS 396.A O no hydrogen 3.141 N/A VAL 401.A N VAL 397.A O no hydrogen 2.766 N/A TRP 402.A N TRP 398.A O no hydrogen 2.849 N/A TRP 402.A NE1 GLU 519.A OE2 no hydrogen 3.063 N/A HIS 403.A N GLY 399.A O no hydrogen 2.848 N/A HIS 403.A NE2 ASN 238.A OD1 no hydrogen 2.830 N/A SER 404.A N GLN 400.A O no hydrogen 2.902 N/A SER 404.A OG GLN 400.A O no hydrogen 3.249 N/A ILE 405.A N VAL 401.A O no hydrogen 3.142 N/A GLN 406.A N TRP 402.A O no hydrogen 2.988 N/A THR 407.A N HIS 403.A O no hydrogen 2.994 N/A THR 407.A OG1 HIS 403.A O no hydrogen 2.802 N/A LEU 408.A N SER 404.A O no hydrogen 2.958 N/A LYS 409.A N ILE 405.A O no hydrogen 2.928 N/A LYS 409.A NZ ASP 516.A O no hydrogen 3.535 N/A LYS 409.A NZ GLU 519.A OE1 no hydrogen 3.170 N/A GLU 410.A N GLN 406.A O no hydrogen 2.777 N/A ASP 411.A N THR 407.A O no hydrogen 2.664 N/A CYS 412.A N LEU 408.A O no hydrogen 2.928 N/A ASN 413.A N LYS 409.A O no hydrogen 3.029 N/A ARG 414.A N GLU 410.A O no hydrogen 3.066 N/A ARG 414.A NH1 ASP 354.A OD2 no hydrogen 2.805 N/A ARG 414.A NH2 ASP 411.A OD1 no hydrogen 2.774 N/A LEU 415.A N ASP 411.A O no hydrogen 3.287 N/A GLN 416.A N CYS 412.A O no hydrogen 3.227 N/A GLN 417.A N ASN 413.A O no hydrogen 2.928 N/A GLY 418.A N ARG 414.A O no hydrogen 3.040 N/A GLN 419.A N LEU 415.A O no hydrogen 2.969 N/A ARG 420.A N GLN 416.A O no hydrogen 2.832 N/A ALA 421.A N GLN 417.A O no hydrogen 2.810 N/A ALA 422.A N GLY 418.A O no hydrogen 3.171 N/A MET 423.A N GLN 419.A O no hydrogen 2.982 N/A MET 424.A N ARG 420.A O no hydrogen 2.799 N/A ASN 425.A N ALA 421.A O no hydrogen 3.045 N/A ASN 425.A ND2 GLY 332.A O no hydrogen 3.226 N/A LEU 426.A N ALA 422.A O no hydrogen 2.981 N/A LEU 427.A N MET 423.A O no hydrogen 2.876 N/A ARG 428.A N MET 424.A O no hydrogen 3.088 N/A ARG 428.A NH1 ALA 331.A O no hydrogen 2.956 N/A ARG 428.A NH2 ALA 331.A O no hydrogen 2.908 N/A ASN 429.A N ASN 425.A O no hydrogen 3.027 N/A ASN 429.A ND2 ASN 425.A O no hydrogen 3.084 N/A ASN 430.A N LEU 426.A O no hydrogen 2.776 N/A SER 431.A N LEU 427.A O no hydrogen 3.011 N/A CYS 432.A SG ARG 428.A O no hydrogen 3.523 N/A LEU 433.A N ASN 429.A O no hydrogen 2.986 N/A SER 434.A N ASN 430.A O no hydrogen 2.910 N/A SER 434.A OG ASN 430.A O no hydrogen 2.881 N/A SER 434.A OG GLN 503.A OE1 no hydrogen 3.504 N/A LYS 435.A N SER 431.A O no hydrogen 2.911 N/A MET 436.A N CYS 432.A O no hydrogen 2.792 N/A LYS 437.A N LEU 433.A O no hydrogen 2.769 N/A ASN 438.A N SER 434.A O no hydrogen 2.964 N/A SER 439.A N LYS 435.A O no hydrogen 3.307 N/A SER 439.A OG LYS 435.A O no hydrogen 3.056 N/A MET 440.A N MET 436.A O no hydrogen 2.805 N/A ALA 441.A N LYS 437.A O no hydrogen 2.793 N/A SER 442.A N ASN 438.A O no hydrogen 2.846 N/A MET 443.A N SER 439.A O no hydrogen 2.770 N/A SER 444.A N MET 440.A O no hydrogen 2.888 N/A GLN 445.A N ALA 441.A O no hydrogen 3.085 N/A GLN 446.A N SER 442.A O no hydrogen 3.033 N/A GLN 446.A NE2 SER 442.A O no hydrogen 3.437 N/A LEU 447.A N MET 443.A O no hydrogen 2.843 N/A LYS 448.A N SER 444.A O no hydrogen 2.927 N/A ALA 449.A N GLN 445.A O no hydrogen 3.114 N/A LYS 450.A N GLN 446.A O no hydrogen 3.040 N/A LEU 451.A N LEU 447.A O no hydrogen 2.902 N/A ASP 452.A N LYS 448.A O no hydrogen 2.999 N/A PHE 453.A N ALA 449.A O no hydrogen 3.077 N/A PHE 454.A N LYS 450.A O no hydrogen 2.862 N/A LYS 455.A N LEU 451.A O no hydrogen 2.839 N/A LYS 455.A NZ GLU 484.A OE2 no hydrogen 3.225 N/A THR 456.A N ASP 452.A O no hydrogen 3.025 N/A THR 456.A OG1 ASP 452.A O no hydrogen 3.041 N/A SER 457.A N PHE 453.A O no hydrogen 2.829 N/A ILE 458.A N PHE 454.A O no hydrogen 2.856 N/A GLN 459.A N LYS 455.A O no hydrogen 3.146 N/A ILE 460.A N THR 456.A O no hydrogen 3.249 N/A ASP 461.A N SER 457.A O no hydrogen 3.092 N/A LEU 462.A N ILE 458.A O no hydrogen 2.877 N/A GLU 463.A N GLN 459.A O no hydrogen 3.035 N/A LYS 464.A N ILE 460.A O no hydrogen 2.899 N/A TYR 465.A N ASP 461.A O no hydrogen 3.191 N/A SER 466.A N LEU 462.A O no hydrogen 3.373 N/A SER 466.A OG LEU 462.A O no hydrogen 3.210 N/A SER 466.A OG GLU 463.A O no hydrogen 2.848 N/A GLU 467.A N GLU 463.A O no hydrogen 3.146 N/A GLN 468.A N TYR 465.A O no hydrogen 2.893 N/A GLN 468.A NE2 TYR 465.A O no hydrogen 3.461 N/A THR 469.A OG1 SER 466.A O no hydrogen 2.780 N/A LYS 471.A N ASP 470.A OD2 no hydrogen 2.880 N/A LEU 474.A N ASP 470.A O no hydrogen 3.371 N/A ALA 475.A N LYS 471.A O no hydrogen 3.108 N/A TRP 476.A N LEU 472.A O no hydrogen 2.774 N/A TRP 476.A NE1 GLU 608.A OE1 no hydrogen 2.755 N/A ARG 477.A N LEU 473.A O no hydrogen 2.868 N/A GLU 478.A N LEU 474.A O no hydrogen 3.027 N/A MET 479.A N ALA 475.A O no hydrogen 3.094 N/A GLU 480.A N TRP 476.A O no hydrogen 3.140 N/A GLN 481.A N ARG 477.A O no hydrogen 3.164 N/A GLN 481.A NE2 GLU 478.A O no hydrogen 3.119 N/A ALA 482.A N GLU 478.A O no hydrogen 2.775 N/A VAL 483.A N MET 479.A O no hydrogen 3.101 N/A GLU 484.A N GLN 481.A O no hydrogen 3.398 N/A CYS 486.A SG VAL 483.A O no hydrogen 3.584 N/A GLY 487.A N ASP 594.A OD2 no hydrogen 3.083 N/A ARG 488.A NE ASP 594.A OD2 no hydrogen 2.776 N/A ARG 488.A NH2 ASP 594.A OD1 no hydrogen 2.783 N/A ARG 488.A NH2 ASP 594.A OD2 no hydrogen 3.523 N/A ASN 490.A N GLU 489.A OE2 no hydrogen 2.795 N/A GLU 491.A N GLU 491.A OE2 no hydrogen 2.901 N/A VAL 492.A N ARG 488.A O no hydrogen 2.774 N/A LYS 493.A N GLU 489.A O no hydrogen 2.796 N/A LEU 494.A N ASN 490.A O no hydrogen 3.455 N/A LEU 495.A N GLU 491.A O no hydrogen 3.315 N/A VAL 496.A N VAL 492.A O no hydrogen 2.862 N/A VAL 496.A N LYS 493.A O no hydrogen 3.251 N/A GLU 497.A N LYS 493.A O no hydrogen 3.098 N/A ARG 498.A N LEU 494.A O no hydrogen 3.127 N/A MET 499.A N LEU 495.A O no hydrogen 2.934 N/A MET 500.A N VAL 496.A O no hydrogen 2.810 N/A ALA 501.A N GLU 497.A O no hydrogen 2.831 N/A LEU 502.A N ARG 498.A O no hydrogen 2.823 N/A GLN 503.A N MET 499.A O no hydrogen 3.171 N/A THR 504.A N MET 500.A O no hydrogen 3.332 N/A THR 504.A OG1 MET 500.A O no hydrogen 3.437 N/A ASP 505.A N ALA 501.A O no hydrogen 3.491 N/A ILE 506.A N LEU 502.A O no hydrogen 3.088 N/A VAL 507.A N GLN 503.A O no hydrogen 3.007 N/A ASP 508.A N THR 504.A O no hydrogen 2.932 N/A LEU 509.A N ASP 505.A O no hydrogen 2.963 N/A LEU 509.A N ILE 506.A O no hydrogen 3.125 N/A GLN 510.A N ILE 506.A O no hydrogen 3.032 N/A ARG 511.A N VAL 507.A O no hydrogen 3.000 N/A THR 514.A OG1 SER 555.A OG no hydrogen 2.727 N/A ASP 517.A N GLY 513.A O no hydrogen 3.212 N/A LEU 518.A N THR 514.A O no hydrogen 2.782 N/A GLU 520.A N ASP 516.A O no hydrogen 3.374 N/A GLN 521.A N ASP 517.A O no hydrogen 2.969 N/A ALA 522.A N LEU 518.A O no hydrogen 3.145 N/A ARG 523.A N GLU 519.A O no hydrogen 2.888 N/A GLU 524.A N GLU 520.A O no hydrogen 3.085 N/A LEU 525.A N GLN 521.A O no hydrogen 3.035 N/A TYR 526.A N ALA 522.A O no hydrogen 2.906 N/A ARG 527.A N ARG 523.A O no hydrogen 2.789 N/A ARG 528.A N GLU 524.A O no hydrogen 2.859 N/A LEU 529.A N LEU 525.A O no hydrogen 3.104 N/A ARG 530.A N TYR 526.A O no hydrogen 2.971 N/A GLU 531.A N ARG 527.A O no hydrogen 2.791 N/A LYS 532.A N LEU 529.A O no hydrogen 3.333 N/A GLN 536.A N PRO 533.A O no hydrogen 3.011 N/A ARG 537.A N ARG 534.A O no hydrogen 3.472 N/A ARG 537.A NE LYS 532.A O no hydrogen 3.124 N/A ARG 537.A NH2 ARG 530.A O no hydrogen 3.499 N/A GLY 540.A N LEU 389.A O no hydrogen 3.215 N/A SER 542.A N PRO 385.A O no hydrogen 3.075 N/A GLN 543.A NE2 ASP 541.A OD1 no hydrogen 2.814 N/A VAL 546.A N SER 542.A O no hydrogen 2.761 N/A ARG 547.A N GLN 543.A O no hydrogen 2.949 N/A LEU 548.A N GLU 544.A O no hydrogen 3.464 N/A LEU 549.A N MET 545.A O no hydrogen 3.125 N/A LEU 550.A N VAL 546.A O no hydrogen 3.149 N/A GLN 551.A N ARG 547.A O no hydrogen 3.232 N/A ALA 552.A N LEU 548.A O no hydrogen 2.916 N/A ILE 553.A N LEU 549.A O no hydrogen 2.835 N/A GLN 554.A N LEU 550.A O no hydrogen 3.089 N/A SER 555.A N GLN 551.A O no hydrogen 2.806 N/A SER 555.A OG THR 514.A OG1 no hydrogen 2.727 N/A PHE 556.A N ALA 552.A O no hydrogen 2.797 N/A GLU 557.A N ILE 553.A O no hydrogen 3.100 N/A LYS 558.A N GLN 554.A O no hydrogen 3.212 N/A LYS 559.A N SER 555.A O no hydrogen 2.906 N/A VAL 560.A N PHE 556.A O no hydrogen 2.802 N/A ARG 561.A N GLU 557.A O no hydrogen 3.070 N/A VAL 562.A N LYS 558.A O no hydrogen 3.456 N/A ILE 563.A N LYS 559.A O no hydrogen 3.119 N/A TYR 564.A N VAL 560.A O no hydrogen 3.091 N/A TYR 564.A OH MET 291.A O no hydrogen 2.672 N/A THR 565.A N ARG 561.A O no hydrogen 3.082 N/A THR 565.A OG1 ARG 561.A O no hydrogen 3.022 N/A GLN 566.A N VAL 562.A O no hydrogen 3.110 N/A GLN 566.A NE2 LEU 509.A O no hydrogen 2.815 N/A LEU 567.A N ILE 563.A O no hydrogen 2.912 N/A SER 568.A N TYR 564.A O no hydrogen 2.969 N/A SER 568.A OG TYR 564.A O no hydrogen 2.663 N/A SER 568.A OG THR 565.A O no hydrogen 3.377 N/A LYS 569.A N THR 565.A O no hydrogen 3.184 N/A THR 570.A N GLN 566.A O no hydrogen 2.806 N/A THR 570.A OG1 GLN 566.A O no hydrogen 2.707 N/A VAL 571.A N LEU 567.A O no hydrogen 2.911 N/A VAL 572.A N SER 568.A O no hydrogen 3.335 N/A CYS 573.A N LYS 569.A O no hydrogen 3.332 N/A CYS 573.A SG LYS 569.A O no hydrogen 3.408 N/A LYS 574.A N THR 570.A O no hydrogen 2.950 N/A LYS 574.A NZ GLU 326.A OE1 no hydrogen 3.139 N/A LYS 574.A NZ GLU 326.A OE2 no hydrogen 3.481 N/A GLN 575.A N VAL 571.A O no hydrogen 3.055 N/A LYS 576.A N VAL 572.A O no hydrogen 3.164 N/A ALA 577.A N CYS 573.A O no hydrogen 2.968 N/A LEU 578.A N LYS 574.A O no hydrogen 3.022 N/A GLU 579.A N GLN 575.A O no hydrogen 2.800 N/A LEU 580.A N LYS 576.A O no hydrogen 2.840 N/A LEU 580.A N ALA 577.A O no hydrogen 3.100 N/A LEU 581.A N ALA 577.A O no hydrogen 3.043 N/A VAL 584.A N LEU 580.A O no hydrogen 2.956 N/A GLU 585.A N LEU 581.A O no hydrogen 3.053 N/A GLU 586.A N PRO 582.A O no hydrogen 2.780 N/A VAL 587.A N LYS 583.A O no hydrogen 3.121 N/A VAL 588.A N VAL 584.A O no hydrogen 2.986 N/A SER 589.A N GLU 585.A O no hydrogen 3.061 N/A LEU 590.A N GLU 586.A O no hydrogen 3.064 N/A MET 591.A N VAL 587.A O no hydrogen 2.909 N/A ASN 592.A N VAL 588.A O no hydrogen 2.961 N/A GLU 593.A N SER 589.A O no hydrogen 3.076 N/A ASP 594.A N LEU 590.A O no hydrogen 2.930 N/A GLU 595.A N MET 591.A O no hydrogen 2.952 N/A LYS 596.A N ASN 592.A O no hydrogen 2.960 N/A LYS 596.A NZ GLU 593.A OE2 no hydrogen 3.026 N/A THR 597.A N GLU 593.A O no hydrogen 2.822 N/A THR 597.A OG1 GLU 593.A O no hydrogen 3.523 N/A VAL 598.A N ASP 594.A O no hydrogen 2.988 N/A VAL 599.A N GLU 595.A O no hydrogen 2.961 N/A ARG 600.A N LYS 596.A O no hydrogen 3.011 N/A ARG 600.A NH2 GLU 593.A OE1 no hydrogen 3.523 N/A LEU 601.A N THR 597.A O no hydrogen 2.945 N/A GLN 602.A N VAL 598.A O no hydrogen 2.983 N/A GLN 602.A NE2 SER 457.A OG no hydrogen 2.888 N/A GLN 602.A NE2 GLN 606.A OE1 no hydrogen 3.368 N/A GLU 603.A N VAL 599.A O no hydrogen 3.096 N/A LYS 604.A N ARG 600.A O no hydrogen 2.854 N/A ARG 605.A N LEU 601.A O no hydrogen 3.171 N/A ARG 605.A NE ASP 461.A OD2 no hydrogen 2.831 N/A ARG 605.A NH1 GLN 602.A OE1 no hydrogen 3.299 N/A ARG 605.A NH2 ASP 461.A OD2 no hydrogen 3.417 N/A ARG 605.A NH2 GLN 602.A OE1 no hydrogen 2.812 N/A GLN 606.A N GLN 602.A O no hydrogen 3.087 N/A LYS 607.A N GLU 603.A O no hydrogen 2.976 N/A LYS 607.A NZ GLU 603.A OE1 no hydrogen 3.189 N/A GLU 608.A N LYS 604.A O no hydrogen 2.856 N/A LEU 609.A N ARG 605.A O no hydrogen 2.911 N/A LEU 609.A N GLN 606.A O no hydrogen 3.211 N/A TRP 610.A N GLN 606.A O no hydrogen 3.167 N/A ASN 611.A N LYS 607.A O no hydrogen 3.133 N/A LEU 612.A N GLU 608.A O no hydrogen 3.193 N/A LEU 612.A N LEU 609.A O no hydrogen 3.039 N/A LEU 613.A N LEU 609.A O no hydrogen 3.314 N/A LYS 614.A N TRP 610.A O no hydrogen 3.209 N/A LYS 614.A N ASN 611.A O no hydrogen 3.214 N/A ILE 615.A N ASN 611.A O no hydrogen 3.326 N/A ALA 616.A N LEU 612.A O no hydrogen 3.007 N/A CYS 617.A N LEU 613.A O no hydrogen 3.127 N/A CYS 617.A N LYS 614.A O no hydrogen 2.844 N/A SER 618.A N ILE 615.A O no hydrogen 3.322 N/A SER 618.A OG ILE 615.A O no hydrogen 2.779 N/A