Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9jr4_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLU 1.A O no hydrogen 2.934 N/A LYS 5.A NZ ASP 9.A OD2 no hydrogen 2.999 N/A PHE 7.A N LEU 3.A O no hydrogen 3.030 N/A LEU 8.A N ALA 4.A O no hydrogen 2.751 N/A ASP 9.A N LYS 5.A O no hydrogen 3.126 N/A PHE 11.A N PHE 7.A O no hydrogen 3.042 N/A ASN 12.A N LEU 8.A O no hydrogen 2.558 N/A GLN 13.A N ASP 9.A O no hydrogen 3.053 N/A GLN 13.A NE2 ASP 17.A OD1 no hydrogen 3.401 N/A GLN 13.A NE2 ASP 17.A OD2 no hydrogen 3.265 N/A GLU 14.A N LYS 10.A O no hydrogen 3.010 N/A ALA 15.A N PHE 11.A O no hydrogen 2.679 N/A GLU 16.A N ASN 12.A O no hydrogen 3.398 N/A ASP 17.A N GLN 13.A O no hydrogen 3.309 N/A LEU 18.A N GLU 14.A O no hydrogen 3.227 N/A ASP 19.A N ALA 15.A O no hydrogen 2.759 N/A HIS 20.A N GLU 16.A O no hydrogen 2.647 N/A HIS 20.A ND1 LEU 330.A O no hydrogen 2.820 N/A ARG 22.A N LEU 18.A O no hydrogen 2.558 N/A ARG 22.A NE ASP 19.A OD1 no hydrogen 3.444 N/A SER 23.A N ASP 19.A O no hydrogen 2.731 N/A SER 23.A OG ASP 19.A O no hydrogen 3.082 N/A LEU 24.A N HIS 20.A O no hydrogen 2.972 N/A ALA 25.A N GLN 21.A O no hydrogen 3.265 N/A ALA 26.A N ARG 22.A O no hydrogen 2.930 N/A TRP 27.A N SER 23.A O no hydrogen 2.783 N/A ASN 28.A N LEU 24.A O no hydrogen 2.954 N/A TYR 29.A N ALA 25.A O no hydrogen 3.181 N/A ASN 30.A N ALA 26.A O no hydrogen 2.915 N/A ASN 30.A ND2 ALA 26.A O no hydrogen 2.569 N/A THR 31.A N TRP 27.A O no hydrogen 3.077 N/A THR 31.A OG1 TRP 27.A O no hydrogen 2.887 N/A ASN 32.A N TYR 29.A O no hydrogen 2.850 N/A ILE 33.A N LYS 320.A O no hydrogen 3.077 N/A THR 34.A OG1 ASN 32.A O no hydrogen 3.522 N/A THR 34.A OG1 ASN 37.A OD1 no hydrogen 2.982 N/A ASN 37.A ND2 ASN 28.A O no hydrogen 3.425 N/A THR 38.A N THR 34.A O no hydrogen 2.807 N/A THR 38.A OG1 THR 34.A O no hydrogen 2.463 N/A GLU 39.A N LYS 35.A O no hydrogen 3.028 N/A LYS 40.A N GLU 36.A O no hydrogen 3.063 N/A MET 41.A N ASN 37.A O no hydrogen 3.425 N/A ASN 42.A N THR 38.A O no hydrogen 3.453 N/A GLU 43.A N GLU 39.A O no hydrogen 3.173 N/A ALA 44.A N LYS 40.A O no hydrogen 3.143 N/A GLU 45.A N MET 41.A O no hydrogen 2.463 N/A ALA 46.A N ASN 42.A O no hydrogen 2.466 N/A LYS 47.A N GLU 43.A O no hydrogen 2.809 N/A LYS 47.A NZ GLU 43.A O no hydrogen 3.151 N/A TRP 48.A N ALA 44.A O no hydrogen 2.987 N/A SER 49.A N GLU 45.A O no hydrogen 3.401 N/A SER 49.A OG GLU 45.A O no hydrogen 2.703 N/A SER 49.A OG ALA 46.A O no hydrogen 2.419 N/A ALA 50.A N ALA 46.A O no hydrogen 2.957 N/A PHE 51.A N LYS 47.A O no hydrogen 2.721 N/A TYR 52.A N TRP 48.A O no hydrogen 2.925 N/A TYR 52.A OH SER 82.A O no hydrogen 3.242 N/A GLU 53.A N SER 49.A O no hydrogen 3.164 N/A GLN 55.A N PHE 51.A O no hydrogen 3.337 N/A SER 56.A N TYR 52.A O no hydrogen 2.638 N/A SER 56.A OG SER 84.A OG no hydrogen 2.791 N/A LYS 57.A N GLU 53.A O no hydrogen 3.114 N/A LEU 58.A N GLU 54.A O no hydrogen 2.628 N/A ALA 59.A N GLN 55.A O no hydrogen 2.546 N/A LYS 60.A N SER 56.A O no hydrogen 3.162 N/A LYS 60.A NZ SER 56.A OG no hydrogen 3.334 N/A ASP 61.A N LEU 58.A O no hydrogen 3.081 N/A TYR 62.A N ALA 59.A O no hydrogen 2.785 N/A GLU 66.A N PRO 63.A O no hydrogen 3.218 N/A ILE 67.A N LEU 64.A O no hydrogen 3.334 N/A GLN 68.A N GLU 2.A OE2 no hydrogen 3.165 N/A THR 71.A N ASN 69.A OD1 no hydrogen 3.206 N/A THR 71.A OG1 ASN 69.A OD1 no hydrogen 2.530 N/A LYS 73.A N ASN 69.A O no hydrogen 2.938 N/A LYS 73.A NZ GLN 65.A OE1 no hydrogen 2.552 N/A LYS 73.A NZ GLU 189.A OE1 no hydrogen 3.295 N/A ARG 74.A N PHE 70.A O no hydrogen 2.777 N/A GLN 75.A N THR 71.A O no hydrogen 3.461 N/A GLN 75.A NE2 THR 71.A O no hydrogen 3.354 N/A LEU 76.A N LEU 72.A O no hydrogen 3.117 N/A GLN 77.A N LYS 73.A O no hydrogen 2.871 N/A ALA 78.A N ARG 74.A O no hydrogen 3.173 N/A LEU 79.A N GLN 75.A O no hydrogen 3.107 N/A GLN 80.A N LEU 76.A O no hydrogen 2.968 N/A GLN 81.A N GLN 77.A O no hydrogen 2.863 N/A GLN 81.A NE2 ASN 173.A O no hydrogen 2.982 N/A SER 82.A N ALA 78.A O no hydrogen 2.822 N/A GLY 83.A N TYR 181.A OH no hydrogen 3.059 N/A SER 84.A OG SER 56.A OG no hydrogen 2.791 N/A SER 84.A OG GLN 80.A O no hydrogen 2.294 N/A SER 84.A OG GLN 81.A O no hydrogen 3.085 N/A SER 84.A OG SER 82.A O no hydrogen 3.195 N/A SER 85.A N GLY 83.A O no hydrogen 2.631 N/A ALA 86.A N SER 84.A O no hydrogen 2.814 N/A LYS 91.A N SER 88.A O no hydrogen 3.177 N/A LYS 91.A NZ GLU 168.A OE1 no hydrogen 3.097 N/A LYS 91.A NZ GLU 168.A OE2 no hydrogen 3.297 N/A ARG 92.A N SER 88.A O no hydrogen 2.885 N/A LEU 95.A N LYS 91.A O no hydrogen 3.175 N/A THR 97.A N GLU 93.A O no hydrogen 3.048 N/A THR 97.A OG1 GLU 93.A O no hydrogen 3.132 N/A ILE 98.A N GLN 94.A O no hydrogen 2.903 N/A LEU 99.A N LEU 95.A O no hydrogen 2.775 N/A ASN 100.A N ASN 96.A O no hydrogen 2.897 N/A THR 101.A N THR 97.A O no hydrogen 2.966 N/A THR 101.A OG1 THR 97.A O no hydrogen 2.910 N/A MET 102.A N ILE 98.A O no hydrogen 2.977 N/A SER 103.A N LEU 99.A O no hydrogen 3.246 N/A SER 103.A OG ASN 487.A OD1 no hydrogen 2.501 N/A THR 104.A N ASN 100.A O no hydrogen 2.830 N/A THR 104.A OG1 ASN 100.A O no hydrogen 3.191 N/A THR 104.A OG1 THR 101.A O no hydrogen 3.461 N/A ILE 105.A N THR 101.A O no hydrogen 2.867 N/A TYR 106.A N MET 102.A O no hydrogen 3.187 N/A SER 107.A N SER 103.A O no hydrogen 3.206 N/A SER 107.A OG SER 103.A O no hydrogen 3.516 N/A THR 108.A N ILE 105.A O no hydrogen 3.283 N/A THR 108.A OG1 THR 104.A O no hydrogen 2.779 N/A GLY 109.A N TYR 106.A O no hydrogen 3.453 N/A VAL 111.A N LEU 121.A O no hydrogen 3.209 N/A ASN 113.A N GLU 119.A O no hydrogen 3.007 N/A ASN 113.A ND2 GLU 119.A OE1 no hydrogen 3.186 N/A LYS 116.A N ASN 113.A O no hydrogen 2.761 N/A GLU 119.A N LYS 116.A O no hydrogen 2.739 N/A CYS 120.A SG PRO 117.A O no hydrogen 3.153 N/A LEU 121.A N VAL 111.A O no hydrogen 2.862 N/A LEU 127.A N LEU 122.A O no hydrogen 2.961 N/A ASP 128.A N LEU 123.A O no hydrogen 3.338 N/A GLU 129.A N GLY 126.A O no hydrogen 2.718 N/A MET 131.A N LEU 127.A O no hydrogen 3.316 N/A ALA 132.A N ASP 128.A O no hydrogen 3.018 N/A ALA 132.A N GLU 129.A O no hydrogen 2.901 N/A ASN 133.A N GLU 129.A O no hydrogen 2.808 N/A ASN 133.A N ILE 130.A O no hydrogen 3.393 N/A SER 134.A N ILE 130.A O no hydrogen 2.873 N/A SER 134.A OG GLU 139.A OE1 no hydrogen 2.834 N/A ASP 136.A N SER 134.A OG no hydrogen 2.856 N/A SER 138.A OG ASP 136.A OD1 no hydrogen 2.861 N/A GLU 139.A N ASP 136.A OD1 no hydrogen 3.253 N/A ARG 140.A N ASP 136.A O no hydrogen 2.951 N/A ARG 140.A NE HIS 244.A O no hydrogen 2.648 N/A ARG 140.A NH1 MET 131.A O no hydrogen 2.879 N/A ARG 140.A NH2 MET 131.A O no hydrogen 3.095 N/A ARG 140.A NH2 HIS 244.A O no hydrogen 3.136 N/A LEU 141.A N TYR 137.A O no hydrogen 2.796 N/A TRP 142.A N SER 138.A O no hydrogen 3.252 N/A VAL 143.A N GLU 139.A O no hydrogen 3.324 N/A TRP 144.A N ARG 140.A O no hydrogen 2.721 N/A GLU 145.A N LEU 141.A O no hydrogen 2.696 N/A GLY 146.A N TRP 142.A O no hydrogen 2.586 N/A TRP 147.A N VAL 143.A O no hydrogen 3.340 N/A TRP 147.A NE1 ALA 481.A O no hydrogen 3.054 N/A ARG 148.A N TRP 144.A O no hydrogen 3.146 N/A ARG 148.A NH1 MET 249.A O no hydrogen 2.995 N/A ARG 148.A NH2 TRP 144.A O no hydrogen 3.471 N/A SER 149.A N GLU 145.A O no hydrogen 2.713 N/A GLU 150.A N GLY 146.A O no hydrogen 2.509 N/A VAL 151.A N TRP 147.A O no hydrogen 3.098 N/A GLY 152.A N TRP 147.A O no hydrogen 3.186 N/A GLN 154.A NE2 GLU 150.A O no hydrogen 2.945 N/A LEU 155.A N VAL 151.A O no hydrogen 3.174 N/A LEU 155.A N GLY 152.A O no hydrogen 2.983 N/A ARG 156.A N LYS 153.A O no hydrogen 3.292 N/A ARG 156.A NE GLU 160.A OE2 no hydrogen 3.008 N/A ARG 156.A NH1 GLU 160.A OE2 no hydrogen 3.465 N/A ARG 156.A NH1 LYS 449.A O no hydrogen 2.584 N/A ARG 156.A NH1 GLU 474.A OE2 no hydrogen 3.501 N/A ARG 156.A NH2 GLU 474.A OE2 no hydrogen 3.026 N/A ARG 156.A NH2 TYR 476.A O no hydrogen 3.103 N/A TYR 159.A N LEU 155.A O no hydrogen 2.818 N/A GLU 160.A N ARG 156.A O no hydrogen 3.202 N/A GLU 161.A N PRO 157.A O no hydrogen 3.200 N/A TYR 162.A N LEU 158.A O no hydrogen 2.589 N/A TYR 162.A OH ASP 488.A OD1 no hydrogen 2.431 N/A VAL 163.A N TYR 159.A O no hydrogen 2.718 N/A VAL 164.A N GLU 160.A O no hydrogen 3.304 N/A LEU 165.A N GLU 161.A O no hydrogen 3.272 N/A LYS 166.A N TYR 162.A O no hydrogen 3.002 N/A LYS 166.A NZ TYR 178.A OH no hydrogen 2.824 N/A ASN 167.A N VAL 163.A O no hydrogen 2.835 N/A ASN 167.A ND2 PHE 443.A O no hydrogen 3.011 N/A GLU 168.A N VAL 164.A O no hydrogen 2.796 N/A MET 169.A N LEU 165.A O no hydrogen 2.949 N/A ALA 170.A N LYS 166.A O no hydrogen 2.887 N/A ARG 171.A N ASN 167.A O no hydrogen 2.857 N/A ALA 172.A N GLU 168.A O no hydrogen 3.002 N/A ASN 173.A N ALA 170.A O no hydrogen 3.059 N/A ASN 173.A ND2 SER 84.A O no hydrogen 3.308 N/A ASN 174.A N ARG 171.A O no hydrogen 3.001 N/A TYR 175.A N ALA 170.A O no hydrogen 3.155 N/A GLU 176.A N ASP 180.A OD2 no hydrogen 3.087 N/A TYR 178.A N ASN 167.A OD1 no hydrogen 2.815 N/A TYR 178.A OH ASP 488.A OD1 no hydrogen 2.853 N/A TYR 178.A OH ASP 488.A OD2 no hydrogen 3.244 N/A ASP 180.A N ASP 177.A OD1 no hydrogen 2.886 N/A TYR 181.A N ASP 177.A O no hydrogen 2.832 N/A TRP 182.A N TYR 178.A O no hydrogen 2.689 N/A ARG 183.A N GLY 179.A O no hydrogen 2.729 N/A GLY 184.A N ASP 180.A O no hydrogen 2.809 N/A ASP 185.A N TRP 182.A O no hydrogen 2.968 N/A TYR 186.A N ARG 183.A O no hydrogen 2.891 N/A TYR 186.A OH GLU 377.A OE2 no hydrogen 2.385 N/A TYR 186.A OH THR 496.A OG1 no hydrogen 2.860 N/A GLU 187.A N GLY 184.A O no hydrogen 2.854 N/A ALA 188.A N TYR 196.A O no hydrogen 3.082 N/A TYR 194.A OH GLU 550.A OE1 no hydrogen 2.601 N/A TYR 196.A N ALA 188.A O no hydrogen 2.800 N/A TYR 196.A OH ASP 204.A OD2 no hydrogen 2.578 N/A ASN 197.A N GLN 200.A OE1 no hydrogen 3.220 N/A ARG 198.A NE ASP 180.A OD2 no hydrogen 3.230 N/A ASN 199.A N ASN 197.A OD1 no hydrogen 2.611 N/A GLN 200.A N ASN 197.A O no hydrogen 3.168 N/A LEU 201.A N ARG 198.A O no hydrogen 2.977 N/A ASP 204.A N GLN 200.A O no hydrogen 2.827 N/A VAL 205.A N LEU 201.A O no hydrogen 2.647 N/A GLU 206.A N ILE 202.A O no hydrogen 3.023 N/A ARG 207.A N GLU 203.A O no hydrogen 2.791 N/A THR 208.A N ASP 204.A O no hydrogen 3.130 N/A THR 208.A OG1 ASP 204.A O no hydrogen 2.807 N/A THR 208.A OG1 VAL 205.A O no hydrogen 3.000 N/A THR 208.A OG1 TYR 495.A OH no hydrogen 2.740 N/A PHE 209.A N VAL 205.A O no hydrogen 2.848 N/A ALA 210.A N GLU 206.A O no hydrogen 3.248 N/A ILE 212.A N THR 208.A O no hydrogen 3.002 N/A LYS 213.A N PHE 209.A O no hydrogen 2.855 N/A TYR 216.A N ILE 212.A O no hydrogen 3.044 N/A TYR 216.A OH VAL 464.A O no hydrogen 2.872 N/A GLU 217.A N LYS 213.A O no hydrogen 2.722 N/A HIS 218.A N PRO 214.A O no hydrogen 2.970 N/A LEU 219.A N LEU 215.A O no hydrogen 2.935 N/A HIS 220.A N TYR 216.A O no hydrogen 2.837 N/A HIS 220.A N GLU 217.A O no hydrogen 3.144 N/A HIS 220.A NE2 GLY 465.A O no hydrogen 3.153 N/A ALA 221.A N GLU 217.A O no hydrogen 3.005 N/A TYR 222.A N HIS 218.A O no hydrogen 3.087 N/A TYR 222.A OH THR 261.A O no hydrogen 2.437 N/A VAL 223.A N LEU 219.A O no hydrogen 3.158 N/A ARG 224.A N HIS 220.A O no hydrogen 2.736 N/A ARG 224.A NH2 GLY 239.A O no hydrogen 2.993 N/A ARG 224.A NH2 GLY 584.A O no hydrogen 2.806 N/A ALA 225.A N ALA 221.A O no hydrogen 2.894 N/A LYS 226.A N TYR 222.A O no hydrogen 3.108 N/A LEU 227.A N VAL 223.A O no hydrogen 3.104 N/A LEU 227.A N ARG 224.A O no hydrogen 3.092 N/A MET 228.A N ARG 224.A O no hydrogen 3.069 N/A THR 230.A N LEU 227.A O no hydrogen 2.882 N/A TYR 231.A N LEU 227.A O no hydrogen 2.822 N/A SER 233.A OG PRO 232.A O no hydrogen 2.399 N/A TYR 234.A N TYR 231.A O no hydrogen 3.355 N/A ILE 235.A N TYR 231.A O no hydrogen 3.446 N/A THR 238.A N SER 236.A OG no hydrogen 2.833 N/A GLY 239.A N SER 236.A O no hydrogen 3.460 N/A CYS 240.A SG ARG 461.A O no hydrogen 3.741 N/A CYS 240.A SG ASN 586.A O no hydrogen 3.163 N/A LEU 241.A N GLY 465.A O no hydrogen 2.941 N/A HIS 244.A N HIS 244.A ND1 no hydrogen 2.912 N/A LEU 245.A N PRO 242.A O no hydrogen 3.293 N/A TRP 250.A N ASP 248.A OD1 no hydrogen 3.180 N/A TRP 250.A NE1 ALA 481.A O no hydrogen 3.039 N/A ARG 252.A N ASP 248.A OD1 no hydrogen 3.293 N/A PHE 253.A N ASP 248.A OD2 no hydrogen 3.286 N/A TRP 254.A N LEU 423.A O no hydrogen 2.909 N/A ASN 256.A ND2 GLY 247.A O no hydrogen 2.630 N/A LEU 257.A N TRP 254.A O no hydrogen 2.995 N/A TYR 258.A N THR 255.A O no hydrogen 3.026 N/A TYR 258.A OH ASN 416.A O no hydrogen 3.155 N/A LEU 260.A N LEU 257.A O no hydrogen 3.041 N/A THR 261.A N TYR 258.A O no hydrogen 2.836 N/A THR 261.A OG1 LEU 257.A O no hydrogen 2.726 N/A VAL 262.A N TYR 258.A O no hydrogen 2.826 N/A PHE 264.A N ASN 416.A OD1 no hydrogen 3.196 N/A LYS 267.A NZ ASP 410.A OD2 no hydrogen 2.692 N/A ILE 277.A N THR 273.A O no hydrogen 3.323 N/A ASN 278.A N ASP 274.A O no hydrogen 2.786 N/A GLN 279.A N ALA 275.A O no hydrogen 2.959 N/A ASN 280.A N ILE 277.A O no hydrogen 3.337 N/A TRP 281.A N MET 276.A O no hydrogen 2.941 N/A ARG 285.A N ASN 282.A OD1 no hydrogen 3.360 N/A ILE 286.A N ASN 282.A O no hydrogen 3.269 N/A PHE 287.A N ALA 283.A O no hydrogen 3.437 N/A LYS 288.A N VAL 284.A O no hydrogen 2.935 N/A LYS 288.A NZ GLU 291.A OE1 no hydrogen 3.148 N/A GLU 289.A N ARG 285.A O no hydrogen 2.933 N/A ALA 290.A N ILE 286.A O no hydrogen 3.059 N/A GLU 291.A N PHE 287.A O no hydrogen 2.730 N/A LYS 292.A N LYS 288.A O no hydrogen 3.055 N/A LYS 292.A NZ GLU 289.A OE1 no hydrogen 3.533 N/A LYS 292.A NZ GLU 289.A OE2 no hydrogen 3.007 N/A PHE 293.A N GLU 289.A O no hydrogen 3.021 N/A PHE 294.A N ALA 290.A O no hydrogen 3.228 N/A VAL 295.A N GLU 291.A O no hydrogen 2.910 N/A SER 296.A N LYS 292.A O no hydrogen 2.949 N/A SER 296.A N PHE 293.A O no hydrogen 3.189 N/A SER 296.A OG PHE 293.A O no hydrogen 2.847 N/A VAL 297.A N PHE 294.A O no hydrogen 2.967 N/A GLY 298.A N VAL 295.A O no hydrogen 2.842 N/A LEU 299.A N PHE 294.A O no hydrogen 3.171 N/A ASN 301.A N ASN 301.A OD1 no hydrogen 2.421 N/A MET 302.A N GLU 291.A OE2 no hydrogen 2.661 N/A PHE 306.A N THR 303.A OG1 no hydrogen 2.880 N/A TRP 307.A N THR 303.A O no hydrogen 3.376 N/A GLU 308.A N GLN 304.A O no hydrogen 3.077 N/A ASN 309.A N GLY 305.A O no hydrogen 2.556 N/A SER 310.A N PHE 306.A O no hydrogen 3.162 N/A SER 310.A OG PHE 306.A O no hydrogen 2.551 N/A MET 311.A N ILE 337.A O no hydrogen 3.208 N/A THR 313.A OG1 GLU 314.A O no hydrogen 3.034 N/A THR 316.A OG1 THR 316.A O no hydrogen 2.480 N/A ARG 319.A NE ASP 317.A OD2 no hydrogen 2.548 N/A ARG 319.A NH1 THR 31.A O no hydrogen 2.854 N/A ARG 319.A NH2 ASP 317.A OD2 no hydrogen 3.060 N/A VAL 322.A N ASN 30.A O no hydrogen 3.351 N/A CYS 323.A SG GLU 314.A OE1 no hydrogen 3.047 N/A THR 326.A N LYS 338.A O no hydrogen 3.095 N/A TRP 328.A N ARG 336.A O no hydrogen 2.709 N/A TRP 328.A NE1 THR 326.A OG1 no hydrogen 3.080 N/A LEU 330.A N ASP 334.A O no hydrogen 3.256 N/A GLN 331.A N ASP 329.A OD1 no hydrogen 3.465 N/A GLN 331.A NE2 ASP 19.A OD2 no hydrogen 2.885 N/A LYS 332.A NZ GLU 16.A OE2 no hydrogen 2.642 N/A LYS 332.A NZ ASP 17.A OD1 no hydrogen 3.185 N/A ARG 336.A N TRP 328.A O no hydrogen 3.220 N/A ARG 336.A NE ASP 334.A OD1 no hydrogen 2.848 N/A ARG 336.A NE ASP 334.A OD2 no hydrogen 3.168 N/A ARG 336.A NH1 ASP 334.A OD2 no hydrogen 2.708 N/A ILE 337.A N SER 310.A OG no hydrogen 3.126 N/A LYS 338.A N THR 326.A O no hydrogen 2.927 N/A MET 339.A N MET 311.A O no hydrogen 2.986 N/A THR 341.A N LEU 312.A O no hydrogen 3.031 N/A LYS 342.A N ASN 347.A OD1 no hydrogen 2.674 N/A LYS 342.A NZ CYS 340.A O no hydrogen 3.230 N/A THR 344.A N LYS 342.A O no hydrogen 2.939 N/A ASN 347.A N THR 344.A OG1 no hydrogen 2.895 N/A PHE 348.A N THR 344.A O no hydrogen 3.295 N/A LEU 349.A N MET 345.A O no hydrogen 2.911 N/A THR 350.A N ASP 346.A O no hydrogen 3.011 N/A THR 350.A OG1 ASP 346.A O no hydrogen 2.465 N/A ALA 351.A N ASN 347.A O no hydrogen 2.761 N/A HIS 352.A N PHE 348.A O no hydrogen 3.338 N/A HIS 352.A ND1 PHE 348.A O no hydrogen 3.141 N/A HIS 353.A N LEU 349.A O no hydrogen 3.208 N/A GLU 354.A N THR 350.A O no hydrogen 2.641 N/A MET 355.A N ALA 351.A O no hydrogen 3.058 N/A GLY 356.A N HIS 352.A O no hydrogen 3.123 N/A HIS 357.A N GLU 354.A O no hydrogen 3.018 N/A HIS 357.A ND1 HIS 380.A ND1 no hydrogen 2.768 N/A HIS 357.A NE2 HIS 353.A NE2 no hydrogen 2.947 N/A ILE 358.A N GLU 354.A O no hydrogen 3.365 N/A GLN 359.A N MET 355.A O no hydrogen 3.130 N/A GLN 359.A NE2 PRO 300.A O no hydrogen 2.813 N/A TYR 360.A N GLY 356.A O no hydrogen 3.195 N/A ASP 361.A N HIS 357.A O no hydrogen 2.836 N/A MET 362.A N ILE 358.A O no hydrogen 2.809 N/A ALA 363.A N GLN 359.A O no hydrogen 2.847 N/A TYR 364.A N ASP 361.A O no hydrogen 3.292 N/A GLN 367.A N TYR 364.A O no hydrogen 2.981 N/A GLN 367.A NE2 ARG 538.A O no hydrogen 3.202 N/A LEU 371.A N PRO 368.A O no hydrogen 2.644 N/A ARG 372.A N TYR 369.A O no hydrogen 2.989 N/A ARG 372.A NE ALA 365.A O no hydrogen 3.458 N/A ARG 372.A NH1 GLU 16.A OE1 no hydrogen 3.476 N/A ALA 375.A N TYR 360.A OH no hydrogen 3.345 N/A ASN 376.A ND2 TYR 500.A OH no hydrogen 3.140 N/A GLU 377.A N ASP 185.A OD1 no hydrogen 2.910 N/A GLY 378.A N ASN 376.A OD1 no hydrogen 2.725 N/A PHE 379.A N ASN 376.A O no hydrogen 3.042 N/A HIS 380.A ND1 HIS 357.A ND1 no hydrogen 2.768 N/A ALA 382.A N GLY 378.A O no hydrogen 3.241 N/A VAL 383.A N PHE 379.A O no hydrogen 3.048 N/A GLY 384.A N HIS 380.A O no hydrogen 3.159 N/A GLU 385.A N GLU 381.A O no hydrogen 3.133 N/A ILE 386.A N ALA 382.A O no hydrogen 3.056 N/A LEU 389.A N GLU 385.A O no hydrogen 2.838 N/A SER 390.A OG CYS 521.A O no hydrogen 3.496 N/A ALA 391.A N MET 387.A O no hydrogen 3.015 N/A SER 392.A N SER 388.A O no hydrogen 2.977 N/A SER 392.A OG SER 388.A O no hydrogen 2.947 N/A THR 393.A N SER 390.A O no hydrogen 3.472 N/A THR 393.A OG1 SER 390.A O no hydrogen 2.943 N/A HIS 396.A N THR 393.A OG1 no hydrogen 3.272 N/A HIS 396.A ND1 ASP 522.A OD2 no hydrogen 2.675 N/A LEU 397.A N THR 393.A O no hydrogen 3.004 N/A LYS 398.A N PRO 394.A O no hydrogen 2.910 N/A LYS 398.A NZ PHE 407.A O no hydrogen 3.157 N/A SER 399.A N LYS 395.A O no hydrogen 3.372 N/A SER 399.A OG LYS 395.A O no hydrogen 2.907 N/A SER 399.A OG HIS 396.A O no hydrogen 2.765 N/A ILE 400.A N HIS 396.A O no hydrogen 3.198 N/A LEU 403.A N LEU 397.A O no hydrogen 3.215 N/A ASP 410.A N THR 413.A OG1 no hydrogen 3.250 N/A THR 413.A N ASP 410.A OD1 no hydrogen 3.062 N/A THR 413.A OG1 ASP 410.A O no hydrogen 3.042 N/A THR 413.A OG1 ASP 410.A OD1 no hydrogen 3.530 N/A GLU 414.A N ASP 410.A O no hydrogen 3.125 N/A ILE 415.A N ASN 411.A O no hydrogen 3.151 N/A ASN 416.A N GLU 412.A O no hydrogen 3.192 N/A ASN 416.A ND2 PHE 264.A O no hydrogen 3.392 N/A PHE 417.A N THR 413.A O no hydrogen 2.805 N/A LEU 418.A N GLU 414.A O no hydrogen 2.936 N/A LEU 419.A N ILE 415.A O no hydrogen 2.996 N/A LYS 420.A N ASN 416.A O no hydrogen 3.190 N/A GLN 421.A N PHE 417.A O no hydrogen 2.862 N/A GLN 421.A NE2 TYR 566.A OH no hydrogen 2.789 N/A ALA 422.A N LEU 418.A O no hydrogen 2.693 N/A LEU 423.A N LEU 419.A O no hydrogen 3.017 N/A THR 424.A N GLN 421.A O no hydrogen 2.932 N/A ILE 425.A N GLN 421.A O no hydrogen 2.859 N/A GLY 427.A N ALA 422.A O no hydrogen 2.838 N/A THR 428.A OG1 ARG 252.A O no hydrogen 2.634 N/A THR 432.A N THR 428.A O no hydrogen 2.936 N/A THR 432.A N LEU 429.A O no hydrogen 3.181 N/A THR 432.A OG1 THR 428.A O no hydrogen 2.954 N/A TYR 433.A N LEU 429.A O no hydrogen 3.053 N/A TYR 433.A OH GLU 206.A OE1 no hydrogen 3.188 N/A MET 434.A N PRO 430.A O no hydrogen 2.976 N/A LEU 435.A N THR 432.A O no hydrogen 3.137 N/A GLU 436.A N THR 432.A O no hydrogen 3.151 N/A LYS 437.A N TYR 433.A O no hydrogen 2.903 N/A TRP 438.A N MET 434.A O no hydrogen 3.182 N/A ARG 439.A N LEU 435.A O no hydrogen 3.068 N/A ARG 439.A NE GLU 436.A OE1 no hydrogen 2.786 N/A ARG 439.A NH1 PHE 489.A O no hydrogen 3.173 N/A ARG 439.A NH2 GLU 436.A OE1 no hydrogen 3.181 N/A ARG 439.A NH2 GLU 436.A OE2 no hydrogen 3.104 N/A ARG 439.A NH2 PHE 489.A O no hydrogen 2.541 N/A TRP 440.A N GLU 436.A O no hydrogen 2.771 N/A MET 441.A N LYS 437.A O no hydrogen 3.264 N/A VAL 442.A N TRP 438.A O no hydrogen 2.697 N/A PHE 443.A N ARG 439.A O no hydrogen 2.771 N/A LYS 444.A N TRP 440.A O no hydrogen 2.994 N/A GLY 445.A N VAL 442.A O no hydrogen 3.171 N/A GLU 446.A N MET 441.A O no hydrogen 2.974 N/A LYS 449.A NZ GLU 160.A OE1 no hydrogen 2.947 N/A GLN 451.A N PRO 448.A O no hydrogen 2.762 N/A MET 453.A N GLU 474.A OE2 no hydrogen 2.902 N/A LYS 454.A N GLU 474.A OE1 no hydrogen 2.895 N/A LYS 454.A NZ GLN 451.A OE1 no hydrogen 3.021 N/A LYS 455.A N GLN 451.A O no hydrogen 2.846 N/A LYS 455.A NZ GLU 458.A OE2 no hydrogen 2.850 N/A TRP 456.A N TRP 452.A O no hydrogen 2.708 N/A TRP 457.A N MET 453.A O no hydrogen 2.987 N/A TRP 457.A NE1 ASP 478.A OD2 no hydrogen 2.722 N/A GLU 458.A N LYS 454.A O no hydrogen 3.415 N/A MET 459.A N LYS 455.A O no hydrogen 3.090 N/A LYS 460.A N TRP 456.A O no hydrogen 2.745 N/A ARG 461.A N TRP 457.A O no hydrogen 2.808 N/A ARG 461.A NE GLU 468.A OE2 no hydrogen 3.197 N/A ARG 461.A NH2 GLU 468.A OE1 no hydrogen 3.430 N/A ARG 461.A NH2 GLU 468.A OE2 no hydrogen 3.451 N/A GLU 462.A N MET 459.A O no hydrogen 3.022 N/A ILE 463.A N MET 459.A O no hydrogen 3.084 N/A ILE 463.A N LYS 460.A O no hydrogen 3.449 N/A VAL 464.A N LYS 460.A O no hydrogen 3.026 N/A VAL 466.A N LYS 460.A O no hydrogen 3.417 N/A MET 467.A N LEU 241.A O no hydrogen 2.942 N/A HIS 472.A ND1 ASP 478.A OD2 no hydrogen 2.608 N/A HIS 472.A NE2 GLU 145.A OE1 no hydrogen 2.715 N/A THR 475.A N ASP 473.A OD1 no hydrogen 3.082 N/A TYR 476.A N ASP 473.A O no hydrogen 3.115 N/A TYR 476.A OH GLU 145.A OE2 no hydrogen 2.570 N/A ALA 480.A N CYS 477.A O no hydrogen 2.806 N/A ALA 481.A N ASP 478.A O no hydrogen 2.970 N/A LEU 482.A N PRO 479.A O no hydrogen 3.211 N/A VAL 485.A N LEU 482.A O no hydrogen 3.173 N/A SER 486.A N LEU 482.A O no hydrogen 3.318 N/A SER 486.A OG ALA 480.A O no hydrogen 3.195 N/A SER 486.A OG LEU 482.A O no hydrogen 3.412 N/A SER 486.A OG TYR 483.A O no hydrogen 3.483 N/A ASN 487.A N TYR 483.A O no hydrogen 2.797 N/A ASN 487.A ND2 TYR 483.A O no hydrogen 3.141 N/A ASP 488.A N VAL 485.A O no hydrogen 3.303 N/A PHE 489.A N HIS 484.A O no hydrogen 2.780 N/A SER 490.A OG GLU 377.A OE1 no hydrogen 2.534 N/A SER 490.A OG GLU 377.A OE2 no hydrogen 3.171 N/A PHE 491.A N GLU 436.A OE2 no hydrogen 2.481 N/A ILE 492.A N GLU 436.A OE2 no hydrogen 3.017 N/A ARG 493.A NE GLU 377.A OE1 no hydrogen 3.212 N/A ARG 493.A NH2 GLU 377.A OE1 no hydrogen 3.346 N/A TYR 494.A N PHE 491.A O no hydrogen 3.078 N/A TYR 494.A OH HIS 484.A NE2 no hydrogen 3.100 N/A TYR 495.A N ILE 492.A O no hydrogen 3.058 N/A TYR 495.A OH THR 208.A OG1 no hydrogen 2.740 N/A THR 496.A N ILE 492.A O no hydrogen 3.042 N/A THR 496.A OG1 TYR 186.A OH no hydrogen 2.860 N/A THR 496.A OG1 ILE 492.A O no hydrogen 3.111 N/A THR 496.A OG1 ARG 493.A O no hydrogen 3.219 N/A ARG 497.A N ARG 493.A O no hydrogen 2.661 N/A THR 498.A OG1 TYR 494.A O no hydrogen 2.460 N/A ILE 499.A N TYR 495.A O no hydrogen 3.224 N/A TYR 500.A N THR 496.A O no hydrogen 3.098 N/A GLN 501.A N ARG 497.A O no hydrogen 3.032 N/A GLN 503.A N ILE 499.A O no hydrogen 3.420 N/A GLN 503.A NE2 ASN 557.A O no hydrogen 3.583 N/A PHE 504.A N TYR 500.A O no hydrogen 2.883 N/A GLN 505.A N GLN 501.A O no hydrogen 2.810 N/A GLN 505.A NE2 SER 390.A OG no hydrogen 2.908 N/A GLN 505.A NE2 CYS 521.A O no hydrogen 3.440 N/A GLU 506.A N PHE 502.A O no hydrogen 3.038 N/A ALA 507.A N GLN 503.A O no hydrogen 3.248 N/A LEU 508.A N PHE 504.A O no hydrogen 2.638 N/A CYS 509.A N GLN 505.A O no hydrogen 2.870 N/A CYS 509.A SG GLN 505.A O no hydrogen 2.930 N/A GLN 510.A N GLU 506.A O no hydrogen 2.950 N/A ALA 511.A N ALA 507.A O no hydrogen 3.038 N/A ALA 512.A N LEU 508.A O no hydrogen 2.986 N/A LYS 513.A N GLN 510.A O no hydrogen 3.199 N/A HIS 514.A N CYS 509.A O no hydrogen 3.113 N/A HIS 514.A NE2 PRO 517.A O no hydrogen 2.652 N/A LYS 520.A N PRO 517.A O no hydrogen 3.237 N/A LYS 520.A NZ GLU 414.A OE2 no hydrogen 2.550 N/A CYS 521.A N LEU 518.A O no hydrogen 3.240 N/A ILE 523.A N SER 390.A OG no hydrogen 3.003 N/A SER 524.A N ASP 522.A OD1 no hydrogen 2.824 N/A SER 524.A OG HIS 396.A ND1 no hydrogen 3.239 N/A SER 524.A OG ASP 522.A OD1 no hydrogen 2.336 N/A SER 524.A OG ASP 522.A OD2 no hydrogen 3.144 N/A ASN 525.A N SER 296.A OG no hydrogen 2.834 N/A SER 526.A N ILE 523.A O no hydrogen 3.121 N/A SER 526.A OG GLU 528.A OE2 no hydrogen 2.808 N/A THR 527.A OG1 GLU 528.A OE1 no hydrogen 3.207 N/A ALA 529.A N SER 526.A OG no hydrogen 3.201 N/A GLY 530.A N SER 526.A O no hydrogen 3.232 N/A GLN 531.A N THR 527.A O no hydrogen 3.045 N/A LYS 532.A N GLU 528.A O no hydrogen 3.216 N/A LEU 533.A N ALA 529.A O no hydrogen 3.104 N/A LEU 534.A N GLY 530.A O no hydrogen 2.602 N/A ASN 535.A N GLN 531.A O no hydrogen 3.026 N/A MET 536.A N LEU 533.A O no hydrogen 3.242 N/A LEU 537.A N LEU 533.A O no hydrogen 3.263 N/A ARG 538.A N LEU 534.A O no hydrogen 3.244 N/A LEU 539.A N MET 536.A O no hydrogen 3.021 N/A GLY 540.A N LEU 537.A O no hydrogen 2.869 N/A LYS 541.A N LEU 371.A O no hydrogen 3.077 N/A SER 542.A N LEU 539.A O no hydrogen 2.934 N/A SER 542.A OG LEU 539.A O no hydrogen 2.644 N/A TRP 545.A NE1 TYR 186.A O no hydrogen 2.769 N/A THR 546.A OG1 TYR 194.A O no hydrogen 2.702 N/A ALA 548.A N PRO 544.A O no hydrogen 3.071 N/A LEU 549.A N TRP 545.A O no hydrogen 2.696 N/A GLU 550.A N THR 546.A O no hydrogen 3.334 N/A ASN 551.A N LEU 547.A O no hydrogen 3.175 N/A VAL 552.A N LEU 549.A O no hydrogen 2.886 N/A VAL 553.A N LEU 549.A O no hydrogen 2.849 N/A GLY 554.A N GLU 550.A O no hydrogen 2.861 N/A ASN 557.A ND2 ASP 204.A OD2 no hydrogen 2.276 N/A MET 558.A N ASN 557.A OD1 no hydrogen 2.570 N/A ASP 559.A N GLN 503.A OE1 no hydrogen 2.871 N/A ARG 561.A N ASP 559.A OD1 no hydrogen 3.116 N/A LEU 564.A N VAL 560.A O no hydrogen 3.096 N/A ASN 565.A N ARG 561.A O no hydrogen 2.658 N/A TYR 566.A N PRO 562.A O no hydrogen 2.713 N/A PHE 567.A N LEU 563.A O no hydrogen 3.089 N/A GLU 568.A N ASN 565.A O no hydrogen 2.993 N/A PHE 571.A N PHE 567.A O no hydrogen 2.928 N/A GLY 572.A N GLU 568.A O no hydrogen 3.238 N/A TRP 573.A N PRO 569.A O no hydrogen 3.155 N/A LEU 574.A N LEU 570.A O no hydrogen 2.897 N/A LYS 575.A N PHE 571.A O no hydrogen 3.008 N/A ASP 576.A N GLY 572.A O no hydrogen 3.234 N/A GLN 577.A N TRP 573.A O no hydrogen 3.102 N/A ASN 578.A N LEU 574.A O no hydrogen 2.995 N/A ASN 578.A ND2 HIS 218.A ND1 no hydrogen 3.283 N/A ASN 578.A ND2 HIS 218.A O no hydrogen 3.161 N/A ARG 579.A N ASP 576.A O no hydrogen 3.010 N/A SER 581.A N ASN 578.A O no hydrogen 2.866 N/A ASN 586.A N THR 238.A O no hydrogen 2.968 N/A THR 587.A N ASN 586.A OD1 no hydrogen 2.749 N/A