Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wjm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ ASN 549.A OD1 no hydrogen 3.531 N/A LYS 5.A NZ GLY 133.A O no hydrogen 3.202 N/A LYS 5.A NZ SER 578.A OG no hydrogen 2.894 N/A LYS 5.A NZ GLU 579.A OE1 no hydrogen 3.563 N/A VAL 7.A N GLY 571.A O no hydrogen 3.045 N/A PHE 11.A N ASP 8.A OD1 no hydrogen 3.317 N/A VAL 12.A N ASP 8.A O no hydrogen 2.897 N/A GLU 13.A N ALA 9.A O no hydrogen 3.034 N/A LYS 14.A N VAL 10.A O no hydrogen 3.263 N/A GLN 15.A N PHE 11.A O no hydrogen 2.920 N/A LYS 16.A N VAL 12.A O no hydrogen 2.969 N/A LYS 16.A NZ ASP 569.A OD1 no hydrogen 3.464 N/A LYS 17.A N GLU 13.A O no hydrogen 3.149 N/A ILE 18.A N LYS 14.A O no hydrogen 2.964 N/A LEU 19.A N GLN 15.A O no hydrogen 2.943 N/A SER 20.A N LYS 16.A O no hydrogen 3.027 N/A SER 20.A N LYS 17.A O no hydrogen 3.299 N/A SER 20.A OG LYS 17.A O no hydrogen 2.829 N/A PHE 21.A N ILE 18.A O no hydrogen 3.307 N/A PHE 22.A N LEU 19.A O no hydrogen 2.923 N/A GLN 23.A N SER 20.A O no hydrogen 3.393 N/A VAL 25.A N ASN 458.A OD1 no hydrogen 3.033 N/A GLN 27.A N ASP 24.A O no hydrogen 2.946 N/A GLN 27.A NE2 ASP 24.A OD1 no hydrogen 2.746 N/A ASN 29.A N TYR 34.A OH no hydrogen 3.120 N/A ASP 31.A N ASN 29.A OD1 no hydrogen 2.868 N/A ASP 32.A N ASN 29.A O no hydrogen 3.028 N/A TYR 35.A N ASP 32.A O no hydrogen 3.039 N/A LYS 36.A N ASP 32.A O no hydrogen 3.480 N/A ILE 37.A N GLU 33.A O no hydrogen 3.283 N/A GLY 38.A N TYR 34.A O no hydrogen 2.994 N/A LYS 39.A N TYR 35.A O no hydrogen 2.819 N/A ASP 40.A N ILE 37.A O no hydrogen 3.257 N/A TYR 41.A N GLY 38.A O no hydrogen 3.346 N/A TYR 41.A OH TYR 50.A OH no hydrogen 3.109 N/A ASN 46.A N ILE 43.A O no hydrogen 2.758 N/A MET 47.A N GLU 44.A O no hydrogen 3.304 N/A ASP 48.A N ASP 48.A OD1 no hydrogen 2.362 N/A ASN 49.A N ASN 46.A O no hydrogen 2.874 N/A TYR 50.A OH TYR 41.A OH no hydrogen 3.109 N/A TYR 50.A OH THR 104.A OG1 no hydrogen 2.739 N/A THR 51.A N TYR 94.A O no hydrogen 2.736 N/A ALA 55.A N ASN 52.A O no hydrogen 3.190 N/A GLU 57.A N LYS 53.A O no hydrogen 3.164 N/A GLU 58.A N LYS 54.A O no hydrogen 2.733 N/A PHE 59.A N ALA 55.A O no hydrogen 2.965 N/A LEU 60.A N VAL 56.A O no hydrogen 2.929 N/A LYS 61.A N GLU 57.A O no hydrogen 2.977 N/A MET 62.A N GLU 58.A O no hydrogen 3.179 N/A TYR 63.A N PHE 59.A O no hydrogen 2.732 N/A ARG 64.A N LEU 60.A O no hydrogen 2.946 N/A THR 65.A N LYS 61.A O no hydrogen 3.290 N/A GLY 66.A N MET 62.A O no hydrogen 3.065 N/A MET 68.A N GLU 84.A OE1 no hydrogen 2.860 N/A LYS 70.A NZ ARG 109.A O no hydrogen 3.240 N/A LYS 70.A NZ VAL 110.A O no hydrogen 2.801 N/A LYS 70.A NZ LEU 112.A O no hydrogen 3.426 N/A ASN 71.A N GLN 114.A OE1 no hydrogen 3.215 N/A SER 75.A OG ASP 393.A O no hydrogen 2.834 N/A PHE 77.A N SER 75.A OG no hydrogen 3.101 N/A TYR 78.A OH ASP 393.A OD1 no hydrogen 2.994 N/A ARG 82.A N TYR 78.A O no hydrogen 3.020 N/A ARG 82.A NH1 VAL 76.A O no hydrogen 2.930 N/A ARG 82.A NH2 ASP 79.A OD2 no hydrogen 3.102 N/A ASP 83.A N ASP 79.A O no hydrogen 2.807 N/A GLU 84.A N LYS 80.A O no hydrogen 3.220 N/A ALA 85.A N MET 81.A O no hydrogen 2.955 N/A ILE 86.A N ARG 82.A O no hydrogen 2.788 N/A ALA 87.A N ASP 83.A O no hydrogen 2.962 N/A LEU 88.A N GLU 84.A O no hydrogen 2.990 N/A PHE 89.A N ALA 85.A O no hydrogen 2.755 N/A HIS 90.A N ILE 86.A O no hydrogen 2.894 N/A HIS 90.A NE2 GLU 358.A OE2 no hydrogen 2.946 N/A LEU 91.A N ALA 87.A O no hydrogen 3.308 N/A PHE 92.A N LEU 88.A O no hydrogen 2.998 N/A TYR 93.A N PHE 89.A O no hydrogen 2.812 N/A TYR 94.A N HIS 90.A O no hydrogen 2.857 N/A TYR 94.A OH GLU 358.A OE1 no hydrogen 2.801 N/A LYS 96.A N ASN 49.A O no hydrogen 2.786 N/A THR 100.A N ASP 97.A OD2 no hydrogen 3.194 N/A THR 100.A OG1 ASP 97.A OD2 no hydrogen 2.971 N/A PHE 101.A N ASP 97.A O no hydrogen 3.100 N/A TYR 102.A N PHE 98.A O no hydrogen 2.674 N/A LYS 103.A N GLU 99.A O no hydrogen 2.973 N/A THR 104.A N THR 100.A O no hydrogen 2.891 N/A THR 104.A OG1 TYR 50.A OH no hydrogen 2.739 N/A THR 104.A OG1 THR 100.A O no hydrogen 2.662 N/A ALA 105.A N PHE 101.A O no hydrogen 3.065 N/A CYS 106.A N TYR 102.A O no hydrogen 2.998 N/A CYS 106.A SG TYR 102.A O no hydrogen 3.408 N/A PHE 107.A N LYS 103.A O no hydrogen 3.099 N/A ALA 108.A N THR 104.A O no hydrogen 2.988 N/A ARG 109.A N ALA 105.A O no hydrogen 2.832 N/A ARG 109.A NH1 SER 20.A O no hydrogen 3.143 N/A ARG 109.A NH2 GLN 23.A O no hydrogen 2.905 N/A ARG 109.A NH2 GLN 27.A O no hydrogen 3.254 N/A VAL 110.A N CYS 106.A O no hydrogen 3.178 N/A HIS 111.A N PHE 107.A O no hydrogen 3.027 N/A LEU 112.A N ALA 108.A O no hydrogen 2.901 N/A ASN 113.A ND2 PRO 69.A O no hydrogen 2.875 N/A ASN 113.A ND2 LEU 72.A O no hydrogen 2.938 N/A GLN 114.A N GLN 114.A OE1 no hydrogen 2.670 N/A GLN 114.A NE2 SER 26.A O no hydrogen 3.418 N/A GLN 114.A NE2 ASN 71.A OD1 no hydrogen 3.375 N/A GLN 116.A N ASN 113.A OD1 no hydrogen 3.073 N/A PHE 117.A N ASN 113.A O no hydrogen 2.937 N/A LEU 118.A N GLN 114.A O no hydrogen 2.809 N/A TYR 119.A N GLY 115.A O no hydrogen 2.999 N/A TYR 119.A OH HIS 219.A NE2 no hydrogen 2.883 N/A ALA 120.A N GLN 116.A O no hydrogen 3.132 N/A PHE 121.A N PHE 117.A O no hydrogen 2.849 N/A TYR 122.A N LEU 118.A O no hydrogen 2.863 N/A ILE 123.A N TYR 119.A O no hydrogen 3.255 N/A ALA 124.A N ALA 120.A O no hydrogen 2.929 N/A VAL 125.A N PHE 121.A O no hydrogen 3.014 N/A ILE 126.A N TYR 122.A O no hydrogen 3.255 N/A GLN 127.A N ILE 123.A O no hydrogen 2.771 N/A GLN 127.A NE2 SER 220.A O no hydrogen 3.275 N/A GLN 127.A NE2 HIS 221.A O no hydrogen 2.748 N/A ARG 128.A N ALA 124.A O no hydrogen 2.878 N/A ARG 128.A NE ASP 130.A OD1 no hydrogen 3.369 N/A ARG 128.A NH1 PHE 92.A O no hydrogen 2.781 N/A ARG 128.A NH1 ALA 95.A O no hydrogen 2.861 N/A ARG 128.A NH2 ALA 95.A O no hydrogen 3.127 N/A ARG 128.A NH2 ASP 130.A OD2 no hydrogen 2.890 N/A CYS 131.A N ARG 128.A O no hydrogen 3.256 N/A CYS 131.A SG ASP 130.A OD1 no hydrogen 3.419 N/A HIS 132.A N SER 129.A O no hydrogen 2.989 N/A PHE 134.A N CYS 131.A O no hydrogen 2.972 N/A VAL 135.A N GLN 15.A OE1 no hydrogen 3.311 N/A GLU 141.A N ALA 138.A O no hydrogen 2.817 N/A VAL 142.A N PRO 139.A O no hydrogen 3.085 N/A TYR 143.A N PRO 139.A O no hydrogen 2.834 N/A TYR 143.A OH TYR 216.A OH no hydrogen 2.858 N/A LYS 145.A NZ TYR 157.A OH no hydrogen 3.360 N/A LYS 145.A NZ SER 459.A O no hydrogen 3.375 N/A MET 146.A N TYR 143.A O no hydrogen 2.702 N/A PHE 147.A N PRO 144.A O no hydrogen 2.987 N/A MET 150.A N LEU 281.A O no hydrogen 2.857 N/A LEU 153.A N ASN 149.A O no hydrogen 3.380 N/A GLN 154.A N MET 150.A O no hydrogen 2.776 N/A LYS 155.A N GLU 151.A O no hydrogen 3.106 N/A LYS 155.A NZ TYR 174.A O no hydrogen 2.734 N/A ILE 156.A N VAL 152.A O no hydrogen 2.996 N/A TYR 157.A N LEU 153.A O no hydrogen 2.922 N/A VAL 158.A N GLN 154.A O no hydrogen 2.804 N/A THR 159.A N LYS 155.A O no hydrogen 2.958 N/A THR 159.A OG1 LYS 155.A O no hydrogen 3.099 N/A THR 159.A OG1 TYR 185.A OH no hydrogen 2.922 N/A LYS 160.A N ILE 156.A O no hydrogen 3.100 N/A LYS 160.A NZ GLU 466.A OE1 no hydrogen 2.878 N/A MET 161.A N TYR 157.A O no hydrogen 2.875 N/A GLN 162.A N VAL 158.A O no hydrogen 2.911 N/A ASP 163.A N LYS 160.A O no hydrogen 3.000 N/A GLY 164.A N THR 159.A O no hydrogen 3.095 N/A ALA 171.A N ASN 167.A O no hydrogen 2.831 N/A ALA 172.A N PRO 168.A O no hydrogen 2.780 N/A TYR 174.A N ALA 171.A O no hydrogen 2.907 N/A GLY 175.A N ALA 172.A O no hydrogen 2.847 N/A ILE 176.A N ALA 171.A O no hydrogen 3.005 N/A HIS 177.A N VAL 184.A O no hydrogen 3.051 N/A GLU 179.A N TYR 182.A O no hydrogen 2.742 N/A TYR 182.A N GLU 179.A O no hydrogen 2.997 N/A PHE 183.A N ASP 474.A O no hydrogen 2.809 N/A VAL 184.A N HIS 177.A O no hydrogen 2.624 N/A TYR 185.A N LYS 476.A O no hydrogen 2.941 N/A LYS 186.A N GLY 175.A O no hydrogen 3.009 N/A ALA 187.A N ARG 478.A O no hydrogen 2.993 N/A TYR 189.A OH PRO 480.A O no hydrogen 2.830 N/A SER 190.A N GLU 207.A OE1 no hydrogen 2.958 N/A SER 190.A OG GLU 207.A OE2 no hydrogen 2.641 N/A ALA 192.A N TYR 189.A O no hydrogen 3.288 N/A VAL 193.A N SER 190.A O no hydrogen 3.055 N/A LEU 194.A N ASN 191.A O no hydrogen 3.455 N/A GLN 200.A N ASN 197.A O no hydrogen 3.156 N/A GLN 200.A NE2 SER 190.A OG no hydrogen 3.136 N/A GLN 200.A NE2 LEU 194.A O no hydrogen 2.796 N/A ARG 201.A N GLU 198.A O no hydrogen 2.948 N/A ARG 201.A NE TYR 195.A OH no hydrogen 3.266 N/A ARG 201.A NH1 ASN 260.A O no hydrogen 3.053 N/A LEU 202.A N GLU 199.A O no hydrogen 3.078 N/A THR 203.A OG1 ASN 191.A OD1 no hydrogen 3.252 N/A THR 203.A OG1 GLN 200.A O no hydrogen 2.803 N/A TYR 204.A OH GLU 256.A OE1 no hydrogen 2.420 N/A PHE 205.A N LEU 202.A O no hydrogen 2.892 N/A THR 206.A N LEU 202.A O no hydrogen 2.909 N/A THR 206.A OG1 LEU 202.A O no hydrogen 3.305 N/A GLU 207.A N THR 203.A O no hydrogen 2.871 N/A ASP 208.A N PHE 205.A O no hydrogen 3.085 N/A GLY 210.A N ASP 208.A OD2 no hydrogen 2.900 N/A MET 211.A N ASP 208.A OD2 no hydrogen 3.251 N/A ASN 212.A N ASP 208.A O no hydrogen 3.118 N/A ALA 213.A N ILE 209.A O no hydrogen 2.923 N/A TYR 214.A N GLY 210.A O no hydrogen 2.821 N/A TYR 215.A N MET 211.A O no hydrogen 3.394 N/A TYR 215.A OH TYR 246.A OH no hydrogen 2.787 N/A TYR 216.A N ASN 212.A O no hydrogen 3.322 N/A TYR 217.A N ALA 213.A O no hydrogen 2.891 N/A PHE 218.A N TYR 214.A O no hydrogen 2.944 N/A HIS 219.A N TYR 215.A O no hydrogen 3.092 N/A HIS 219.A NE2 TYR 119.A OH no hydrogen 2.883 N/A SER 220.A N TYR 216.A O no hydrogen 2.966 N/A SER 220.A OG TYR 216.A O no hydrogen 3.150 N/A HIS 221.A N TYR 217.A O no hydrogen 2.983 N/A HIS 221.A NE2 PHE 619.A O no hydrogen 3.246 N/A TRP 225.A NE1 TYR 119.A OH no hydrogen 2.827 N/A TRP 226.A N PRO 223.A O no hydrogen 3.173 N/A THR 227.A N GLU 358.A O no hydrogen 2.906 N/A THR 227.A OG1 ASP 353.A OD2 no hydrogen 3.383 N/A SER 228.A N ASP 353.A OD1 no hydrogen 3.283 N/A SER 228.A OG ASP 353.A OD1 no hydrogen 2.629 N/A GLU 229.A N THR 227.A OG1 no hydrogen 2.837 N/A LYS 230.A NZ GLN 127.A O no hydrogen 2.876 N/A TYR 231.A N SER 228.A O no hydrogen 2.950 N/A TYR 231.A OH GLN 127.A OE1 no hydrogen 2.570 N/A LEU 234.A N TYR 231.A O no hydrogen 3.203 N/A LYS 235.A N GLY 232.A O no hydrogen 3.062 N/A LYS 235.A NZ ASP 353.A OD2 no hydrogen 3.372 N/A GLU 236.A N ALA 233.A O no hydrogen 3.263 N/A ARG 237.A N LEU 234.A O no hydrogen 2.847 N/A ARG 237.A NH2 LYS 627.A O no hydrogen 2.988 N/A ARG 238.A NH1 TRP 226.A O no hydrogen 2.725 N/A ARG 238.A NH1 ASP 353.A OD1 no hydrogen 3.410 N/A ARG 238.A NH2 PRO 223.A O no hydrogen 2.991 N/A ARG 238.A NH2 TRP 226.A O no hydrogen 3.354 N/A GLY 239.A N ASN 342.A OD1 no hydrogen 3.081 N/A VAL 241.A N ARG 237.A O no hydrogen 3.105 N/A TYR 242.A N ARG 238.A O no hydrogen 3.000 N/A TYR 242.A OH GLU 368.A OE1 no hydrogen 2.434 N/A PHE 243.A N GLY 239.A O no hydrogen 3.005 N/A TYR 244.A N GLU 240.A O no hydrogen 2.913 N/A PHE 245.A N VAL 241.A O no hydrogen 2.831 N/A TYR 246.A N TYR 242.A O no hydrogen 3.383 N/A TYR 246.A OH TYR 215.A OH no hydrogen 2.787 N/A GLN 247.A N PHE 243.A O no hydrogen 2.770 N/A GLN 247.A NE2 MET 525.A O no hydrogen 2.852 N/A GLN 247.A NE2 PHE 527.A O no hydrogen 3.355 N/A GLN 248.A N TYR 244.A O no hydrogen 2.959 N/A LEU 249.A N PHE 245.A O no hydrogen 3.174 N/A LEU 250.A N TYR 246.A O no hydrogen 2.836 N/A ALA 251.A N GLN 247.A O no hydrogen 2.941 N/A ARG 252.A N GLN 248.A O no hydrogen 2.924 N/A ARG 252.A NE LEU 588.A O no hydrogen 3.067 N/A ARG 252.A NE MET 589.A O no hydrogen 3.300 N/A ARG 252.A NH1 ARG 252.A O no hydrogen 2.912 N/A ARG 252.A NH1 GLU 256.A OE2 no hydrogen 3.059 N/A ARG 252.A NH2 GLU 256.A OE2 no hydrogen 3.221 N/A ARG 252.A NH2 LEU 588.A O no hydrogen 2.776 N/A TYR 253.A N LEU 249.A O no hydrogen 2.921 N/A TYR 254.A N LEU 250.A O no hydrogen 2.903 N/A PHE 255.A N ALA 251.A O no hydrogen 3.103 N/A GLU 256.A N ARG 252.A O no hydrogen 3.359 N/A ARG 257.A N TYR 253.A O no hydrogen 3.021 N/A ARG 257.A NE GLY 263.A O no hydrogen 2.873 N/A ARG 257.A NH1 GLU 199.A OE1 no hydrogen 3.431 N/A ARG 257.A NH1 GLU 199.A OE2 no hydrogen 2.820 N/A ARG 257.A NH2 GLU 199.A OE1 no hydrogen 2.924 N/A LEU 258.A N TYR 254.A O no hydrogen 2.877 N/A THR 259.A N PHE 255.A O no hydrogen 3.001 N/A THR 259.A OG1 GLU 256.A O no hydrogen 3.332 N/A THR 259.A OG1 ARG 592.A O no hydrogen 2.969 N/A ASN 260.A N ARG 257.A O no hydrogen 2.988 N/A ASN 260.A ND2 TYR 204.A OH no hydrogen 2.793 N/A ASN 260.A ND2 GLU 256.A O no hydrogen 2.707 N/A GLY 261.A N LEU 258.A O no hydrogen 2.980 N/A LEU 262.A N ARG 257.A O no hydrogen 3.172 N/A TRP 270.A NE1 GLU 314.A OE1 no hydrogen 2.749 N/A TYR 271.A N SER 269.A OG no hydrogen 3.076 N/A SER 272.A N SER 269.A O no hydrogen 2.948 N/A ILE 274.A N TYR 296.A O no hydrogen 2.931 N/A GLY 277.A N ASP 294.A OD1 no hydrogen 2.743 N/A TYR 278.A N ARG 292.A O no hydrogen 2.956 N/A THR 284.A N THR 287.A O no hydrogen 2.976 N/A LYS 285.A NZ ASN 71.A OD1 no hydrogen 3.336 N/A LYS 285.A NZ TYR 461.A OH no hydrogen 2.703 N/A THR 287.A N THR 284.A O no hydrogen 2.717 N/A ALA 290.A N PRO 389.A O no hydrogen 2.697 N/A ARG 292.A N TYR 278.A O no hydrogen 3.070 N/A ARG 292.A NE LEU 375.A O no hydrogen 2.959 N/A ARG 292.A NH1 THR 276.A O no hydrogen 2.686 N/A ARG 292.A NH2 LEU 375.A O no hydrogen 3.377 N/A ARG 292.A NH2 ASP 401.A OD1 no hydrogen 2.601 N/A TYR 295.A N LYS 275.A O no hydrogen 2.940 N/A TYR 296.A N ILE 274.A O no hydrogen 3.221 N/A HIS 299.A N ASN 297.A OD1 no hydrogen 3.153 N/A THR 300.A OG1 ASN 297.A O no hydrogen 3.528 N/A ASN 303.A N THR 300.A O no hydrogen 2.784 N/A ASN 303.A ND2 LEU 298.A O no hydrogen 3.102 N/A TYR 304.A N GLU 301.A O no hydrogen 3.274 N/A ARG 306.A NH1 ASN 303.A OD1 no hydrogen 2.628 N/A VAL 307.A N ASN 303.A O no hydrogen 2.827 N/A ARG 308.A N TYR 304.A O no hydrogen 3.111 N/A PHE 309.A N GLU 305.A O no hydrogen 3.047 N/A LEU 310.A N ARG 306.A O no hydrogen 2.899 N/A ASP 311.A N VAL 307.A O no hydrogen 2.616 N/A THR 312.A N ARG 308.A O no hydrogen 3.111 N/A THR 312.A OG1 ARG 308.A O no hydrogen 2.860 N/A TYR 313.A N PHE 309.A O no hydrogen 2.927 N/A TYR 313.A OH TYR 347.A O no hydrogen 2.707 N/A GLU 314.A N LEU 310.A O no hydrogen 3.179 N/A LYS 315.A N ASP 311.A O no hydrogen 3.153 N/A LYS 315.A NZ ASP 311.A OD1 no hydrogen 2.943 N/A LYS 315.A NZ ASP 311.A OD2 no hydrogen 2.781 N/A THR 316.A N THR 312.A O no hydrogen 2.874 N/A THR 316.A OG1 THR 312.A O no hydrogen 2.898 N/A PHE 317.A N TYR 313.A O no hydrogen 3.414 N/A VAL 318.A N GLU 314.A O no hydrogen 2.841 N/A GLN 319.A N LYS 315.A O no hydrogen 2.864 N/A PHE 320.A N THR 316.A O no hydrogen 3.037 N/A LEU 321.A N PHE 317.A O no hydrogen 2.995 N/A GLN 322.A N VAL 318.A O no hydrogen 2.983 N/A LYS 323.A N GLN 319.A O no hydrogen 2.911 N/A ASP 324.A N PHE 320.A O no hydrogen 3.116 N/A HIS 325.A N LYS 323.A O no hydrogen 2.689 N/A PHE 326.A N ILE 333.A O no hydrogen 3.061 N/A ALA 328.A N GLN 331.A O no hydrogen 2.984 N/A GLN 331.A N ALA 328.A O no hydrogen 2.872 N/A GLN 331.A NE2 LEU 354.A O no hydrogen 3.548 N/A ILE 333.A N PHE 326.A O no hydrogen 2.919 N/A PHE 335.A N ASP 324.A O no hydrogen 2.784 N/A ASP 337.A N ASP 334.A O no hydrogen 2.975 N/A LYS 339.A N ASP 337.A OD2 no hydrogen 3.065 N/A ALA 340.A N ASP 337.A O no hydrogen 3.109 N/A ILE 341.A N PRO 338.A O no hydrogen 3.237 N/A ASN 342.A N LYS 339.A O no hydrogen 2.939 N/A VAL 344.A N ALA 340.A O no hydrogen 2.952 N/A GLY 345.A N ILE 341.A O no hydrogen 3.079 N/A ASN 346.A N ASN 342.A O no hydrogen 2.962 N/A ASN 346.A ND2 ASN 342.A OD1 no hydrogen 3.590 N/A TYR 347.A N PHE 343.A O no hydrogen 2.721 N/A TYR 347.A OH TYR 313.A O no hydrogen 2.667 N/A TRP 348.A N VAL 344.A O no hydrogen 3.161 N/A GLN 349.A N GLY 345.A O no hydrogen 3.076 N/A ASP 350.A N TYR 347.A O no hydrogen 3.230 N/A ASN 351.A N ASN 346.A O no hydrogen 3.404 N/A ASN 351.A ND2 ASN 346.A OD1 no hydrogen 3.051 N/A ASN 351.A ND2 GLN 349.A OE1 no hydrogen 2.804 N/A ALA 352.A N PHE 224.A O no hydrogen 3.165 N/A LEU 354.A N ASN 351.A O no hydrogen 2.945 N/A TYR 355.A N ALA 352.A O no hydrogen 3.292 N/A TYR 355.A OH ASP 350.A OD1 no hydrogen 2.604 N/A GLY 356.A N ASP 353.A O no hydrogen 3.354 N/A GLU 357.A N ALA 352.A O no hydrogen 3.315 N/A THR 360.A N TRP 225.A O no hydrogen 2.890 N/A LYS 361.A N GLN 364.A OE1 no hydrogen 3.016 N/A LYS 361.A NZ VAL 359.A O no hydrogen 3.065 N/A GLN 364.A N LYS 361.A O no hydrogen 2.924 N/A GLN 364.A NE2 GLU 357.A OE1 no hydrogen 3.157 N/A ARG 365.A NH1 GLU 305.A OE2 no hydrogen 2.923 N/A ARG 365.A NH2 GLU 305.A OE1 no hydrogen 3.206 N/A TYR 367.A OH GLU 314.A OE1 no hydrogen 2.680 N/A VAL 369.A N SER 366.A OG no hydrogen 3.044 N/A PHE 370.A N SER 366.A O no hydrogen 3.320 N/A ALA 371.A N TYR 367.A O no hydrogen 2.882 N/A ARG 372.A N GLU 368.A O no hydrogen 2.809 N/A ARG 372.A NE MET 392.A O no hydrogen 2.911 N/A ARG 372.A NH1 TYR 215.A OH no hydrogen 3.347 N/A ARG 372.A NH1 TYR 408.A OH no hydrogen 3.167 N/A ARG 372.A NH2 MET 392.A O no hydrogen 3.218 N/A ARG 372.A NH2 SER 398.A OG no hydrogen 2.582 N/A ARG 373.A N VAL 369.A O no hydrogen 2.933 N/A ARG 373.A NH2 PHE 77.A O no hydrogen 2.512 N/A VAL 374.A N PHE 370.A O no hydrogen 2.937 N/A LEU 375.A N ALA 371.A O no hydrogen 2.950 N/A GLY 376.A N ARG 372.A O no hydrogen 3.111 N/A ALA 377.A N VAL 374.A O no hydrogen 3.370 N/A ASP 383.A N THR 386.A O no hydrogen 3.410 N/A TYR 385.A N ASP 383.A OD2 no hydrogen 2.764 N/A TYR 385.A OH GLU 84.A OE2 no hydrogen 2.603 N/A THR 386.A N ASP 383.A O no hydrogen 2.953 N/A THR 386.A OG1 ASP 383.A OD2 no hydrogen 2.833 N/A SER 390.A N ASP 393.A OD2 no hydrogen 2.930 N/A SER 390.A OG ASP 393.A OD2 no hydrogen 3.391 N/A MET 392.A N SER 390.A OG no hydrogen 3.273 N/A ASP 393.A N SER 390.A O no hydrogen 3.033 N/A GLN 396.A N GLN 396.A OE1 no hydrogen 2.748 N/A THR 397.A N PHE 394.A O no hydrogen 3.357 N/A THR 397.A OG1 ALA 391.A O no hydrogen 2.643 N/A SER 398.A N PHE 394.A O no hydrogen 3.108 N/A SER 398.A OG PHE 394.A O no hydrogen 2.515 N/A ARG 400.A N THR 397.A O no hydrogen 2.945 N/A ARG 400.A NH1 ASN 149.A OD1 no hydrogen 3.482 N/A ASP 401.A N SER 398.A O no hydrogen 3.058 N/A ALA 403.A N ASP 401.A OD1 no hydrogen 2.956 N/A PHE 404.A N ASP 401.A O no hydrogen 2.794 N/A TYR 405.A N PRO 402.A O no hydrogen 2.942 N/A TYR 405.A OH LEU 399.A O no hydrogen 2.611 N/A GLN 406.A N PRO 402.A O no hydrogen 3.348 N/A LEU 407.A N ALA 403.A O no hydrogen 2.928 N/A TYR 408.A N PHE 404.A O no hydrogen 3.163 N/A TYR 408.A OH GLU 368.A OE2 no hydrogen 2.309 N/A ASN 409.A N TYR 405.A O no hydrogen 2.953 N/A ARG 410.A N GLN 406.A O no hydrogen 3.180 N/A ARG 410.A NE GLU 314.A OE1 no hydrogen 2.747 N/A ARG 410.A NH1 PHE 268.A O no hydrogen 2.815 N/A ARG 410.A NH2 GLU 314.A OE1 no hydrogen 3.260 N/A ARG 410.A NH2 GLU 314.A OE2 no hydrogen 3.062 N/A ILE 411.A N LEU 407.A O no hydrogen 3.154 N/A VAL 412.A N TYR 408.A O no hydrogen 2.900 N/A GLU 413.A N ASN 409.A O no hydrogen 2.659 N/A TYR 414.A N ARG 410.A O no hydrogen 2.978 N/A ILE 415.A N ILE 411.A O no hydrogen 2.944 N/A VAL 416.A N VAL 412.A O no hydrogen 2.823 N/A GLU 417.A N GLU 413.A O no hydrogen 2.994 N/A PHE 418.A N TYR 414.A O no hydrogen 3.272 N/A LYS 419.A N ILE 415.A O no hydrogen 3.035 N/A LYS 419.A NZ ASP 634.A O no hydrogen 2.974 N/A GLN 420.A N GLU 417.A O no hydrogen 3.227 N/A GLN 420.A NE2 VAL 416.A O no hydrogen 2.938 N/A TYR 421.A N PHE 418.A O no hydrogen 3.038 N/A TYR 421.A OH LEU 321.A O no hydrogen 2.656 N/A LEU 422.A N LYS 419.A O no hydrogen 3.152 N/A TYR 425.A OH ASP 634.A OD1 no hydrogen 2.696 N/A TYR 425.A OH ASP 634.A OD2 no hydrogen 3.284 N/A THR 426.A OG1 ASP 428.A OD2 no hydrogen 3.401 N/A GLN 427.A NE2 LYS 643.A O no hydrogen 3.588 N/A LYS 429.A N THR 426.A O no hydrogen 3.164 N/A LEU 430.A N GLN 427.A O no hydrogen 3.121 N/A TYR 431.A N GLN 427.A O no hydrogen 2.917 N/A PHE 432.A N ASN 646.A OD1 no hydrogen 3.099 N/A VAL 435.A N PHE 432.A O no hydrogen 3.152 N/A LYS 436.A N ASP 494.A O no hydrogen 2.688 N/A ILE 437.A N PRO 645.A O no hydrogen 3.131 N/A THR 438.A N GLU 492.A O no hydrogen 2.790 N/A THR 438.A OG1 GLU 492.A O no hydrogen 2.937 N/A LYS 441.A N ASN 490.A O no hydrogen 2.790 N/A LYS 441.A NZ ASP 439.A OD2 no hydrogen 2.632 N/A ASP 443.A N ASN 488.A O no hydrogen 3.028 N/A THR 447.A N TYR 655.A O no hydrogen 2.840 N/A THR 447.A OG1 TYR 655.A O no hydrogen 3.145 N/A PHE 448.A N ASN 483.A O no hydrogen 2.986 N/A GLU 450.A N ARG 481.A O no hydrogen 2.991 N/A PHE 452.A N GLN 479.A O no hydrogen 2.981 N/A PHE 454.A N VAL 477.A O no hydrogen 3.018 N/A ALA 456.A N VAL 475.A O no hydrogen 2.740 N/A SER 457.A N ASP 455.A OD1 no hydrogen 3.009 N/A SER 457.A OG ASP 455.A OD1 no hydrogen 2.486 N/A ASN 458.A ND2 PHE 22.A O no hydrogen 3.308 N/A ASN 458.A ND2 GLU 141.A O no hydrogen 2.541 N/A SER 459.A N ALA 456.A O no hydrogen 2.895 N/A SER 459.A OG ALA 456.A O no hydrogen 3.018 N/A VAL 460.A N SER 457.A O no hydrogen 3.154 N/A SER 463.A N GLU 466.A OE1 no hydrogen 3.004 N/A SER 463.A OG GLU 466.A OE1 no hydrogen 3.201 N/A GLU 466.A N SER 463.A OG no hydrogen 3.400 N/A ILE 467.A N SER 463.A O no hydrogen 3.027 N/A LYS 468.A N LYS 464.A O no hydrogen 3.117 N/A ASN 469.A N GLU 465.A O no hydrogen 2.997 N/A ASN 469.A N GLU 466.A O no hydrogen 3.172 N/A ASN 470.A N ILE 467.A O no hydrogen 3.290 N/A HIS 473.A ND1 ASP 455.A OD2 no hydrogen 3.037 N/A HIS 473.A NE2 GLN 23.A OE1 no hydrogen 2.983 N/A VAL 475.A N SER 457.A OG no hydrogen 3.265 N/A LYS 476.A N PHE 183.A O no hydrogen 2.815 N/A VAL 477.A N PHE 454.A O no hydrogen 3.068 N/A ARG 478.A N TYR 185.A O no hydrogen 2.812 N/A GLN 479.A N PHE 452.A O no hydrogen 2.925 N/A ARG 481.A N GLU 450.A O no hydrogen 3.001 N/A ARG 481.A NH1 ASP 208.A OD1 no hydrogen 3.073 N/A ASN 483.A N PHE 448.A O no hydrogen 2.962 N/A SER 485.A N THR 446.A O no hydrogen 2.952 N/A PHE 487.A N SER 548.A OG no hydrogen 3.186 N/A ASN 488.A N ASP 443.A OD2 no hydrogen 2.793 N/A VAL 489.A N ARG 546.A O no hydrogen 2.901 N/A ASN 490.A N LYS 441.A O no hydrogen 2.729 N/A ILE 491.A N ILE 544.A O no hydrogen 2.871 N/A GLU 492.A N ASP 439.A O no hydrogen 3.050 N/A VAL 493.A N ASN 542.A O no hydrogen 2.967 N/A ASP 494.A N LYS 436.A O no hydrogen 2.692 N/A SER 495.A N GLY 540.A O no hydrogen 3.105 N/A SER 495.A OG VAL 497.A O no hydrogen 3.254 N/A SER 495.A OG THR 538.A O no hydrogen 3.282 N/A ASN 496.A N GLY 434.A O no hydrogen 3.092 N/A SER 499.A N LEU 537.A O no hydrogen 3.084 N/A SER 499.A OG ASP 500.A O no hydrogen 3.190 N/A ALA 501.A N THR 535.A O no hydrogen 2.931 N/A VAL 502.A N TYR 607.A O no hydrogen 2.778 N/A VAL 503.A N PHE 533.A O no hydrogen 2.843 N/A LYS 504.A N PHE 605.A O no hydrogen 2.886 N/A LYS 504.A NZ GLU 529.A OE2 no hydrogen 2.880 N/A ILE 505.A N ASP 531.A O no hydrogen 2.848 N/A PHE 506.A N PHE 603.A O no hydrogen 2.823 N/A LEU 507.A N PHE 528.A O no hydrogen 2.732 N/A ALA 508.A N GLN 601.A O no hydrogen 2.900 N/A ASP 512.A N ILE 516.A O no hydrogen 3.187 N/A ASN 514.A N ASP 512.A OD2 no hydrogen 2.762 N/A GLY 515.A N ASP 512.A O no hydrogen 3.234 N/A ILE 516.A N ASP 512.A OD2 no hydrogen 3.323 N/A LEU 518.A N LYS 510.A O no hydrogen 2.759 N/A GLU 521.A N ASP 639.A OD1 no hydrogen 3.232 N/A ASP 522.A N THR 519.A O no hydrogen 3.322 N/A ASN 523.A N THR 519.A O no hydrogen 3.254 N/A ASN 523.A N LEU 520.A O no hydrogen 3.111 N/A ASN 523.A ND2 THR 519.A O no hydrogen 3.473 N/A LYS 526.A N ASN 523.A O no hydrogen 3.141 N/A PHE 528.A N LEU 507.A O no hydrogen 2.808 N/A LEU 530.A N ILE 505.A O no hydrogen 2.587 N/A ASP 531.A N ILE 505.A O no hydrogen 3.177 N/A PHE 533.A N VAL 503.A O no hydrogen 3.031 N/A THR 535.A N ALA 501.A O no hydrogen 2.928 N/A LEU 537.A N SER 499.A O no hydrogen 2.746 N/A THR 538.A N ASN 542.A OD1 no hydrogen 3.260 N/A GLY 540.A N SER 495.A O no hydrogen 2.751 N/A ASN 542.A N VAL 493.A O no hydrogen 2.644 N/A ILE 544.A N ILE 491.A O no hydrogen 2.605 N/A ARG 546.A N VAL 489.A O no hydrogen 3.063 N/A ARG 546.A NE ASP 531.A OD2 no hydrogen 2.556 N/A ARG 546.A NH2 ASP 531.A OD2 no hydrogen 3.310 N/A ASN 547.A N GLU 550.A OE2 no hydrogen 3.322 N/A ASN 547.A ND2 ASN 488.A OD1 no hydrogen 2.825 N/A SER 548.A N PHE 487.A O no hydrogen 2.758 N/A ASN 549.A N ASN 547.A OD1 no hydrogen 3.089 N/A GLU 550.A N ASN 547.A O no hydrogen 2.975 N/A PHE 551.A N SER 548.A O no hydrogen 3.223 N/A VAL 552.A N ASP 531.A OD1 no hydrogen 2.986 N/A LYS 555.A N MET 584.A O no hydrogen 2.875 N/A LYS 555.A NZ PHE 581.A O no hydrogen 2.799 N/A GLU 556.A N ASP 576.A OD2 no hydrogen 2.785 N/A MET 561.A N GLU 141.A OE1 no hydrogen 3.009 N/A ILE 564.A N PRO 560.A O no hydrogen 3.207 N/A MET 565.A N MET 561.A O no hydrogen 3.139 N/A LYS 566.A N THR 562.A O no hydrogen 3.369 N/A MET 567.A N GLU 563.A O no hydrogen 2.797 N/A LEU 568.A N ILE 564.A O no hydrogen 2.765 N/A ASP 569.A N MET 565.A O no hydrogen 3.279 N/A ASP 569.A N LYS 566.A O no hydrogen 3.152 N/A GLU 570.A N MET 567.A O no hydrogen 2.745 N/A GLY 571.A N LEU 568.A O no hydrogen 3.404 N/A LYS 572.A N MET 567.A O no hydrogen 3.185 N/A LYS 572.A NZ ASN 6.A OD1 no hydrogen 3.277 N/A VAL 573.A N LYS 5.A O no hydrogen 2.774 N/A PHE 575.A N LYS 3.A O no hydrogen 2.852 N/A MET 577.A N PRO 574.A O no hydrogen 2.940 N/A SER 578.A N PHE 575.A O no hydrogen 2.949 N/A SER 578.A OG PHE 575.A O no hydrogen 2.657 N/A SER 578.A OG GLU 579.A OE1 no hydrogen 3.119 N/A GLU 579.A N PHE 575.A O no hydrogen 3.123 N/A CYS 582.A SG GLU 620.A OE2 no hydrogen 3.211 N/A TYR 583.A N GLU 580.A O no hydrogen 3.332 N/A LYS 586.A N LYS 555.A O no hydrogen 2.800 N/A LYS 586.A NZ ASN 549.A O no hydrogen 3.167 N/A LYS 586.A NZ GLU 556.A OE2 no hydrogen 3.467 N/A ARG 587.A NE ASP 557.A OD1 no hydrogen 3.493 N/A ARG 587.A NE ASP 557.A OD2 no hydrogen 3.315 N/A ARG 587.A NH1 LEU 482.A O no hydrogen 2.641 N/A ARG 587.A NH2 ASP 557.A OD2 no hydrogen 3.451 N/A LEU 588.A N PRO 585.A O no hydrogen 3.202 N/A MET 589.A N LYS 586.A O no hydrogen 3.012 N/A ARG 592.A N GLU 256.A OE1 no hydrogen 2.806 N/A GLY 593.A N THR 447.A OG1 no hydrogen 3.046 N/A THR 594.A N ILE 654.A O no hydrogen 3.260 N/A GLY 597.A N THR 594.A O no hydrogen 3.005 N/A GLY 597.A N THR 594.A OG1 no hydrogen 3.142 N/A PHE 598.A N ILE 654.A O no hydrogen 3.114 N/A PHE 600.A N ILE 652.A O no hydrogen 2.859 N/A GLN 601.A N ALA 508.A O no hydrogen 2.725 N/A GLN 601.A NE2 PRO 509.A O no hydrogen 2.942 N/A LEU 602.A N LYS 650.A O no hydrogen 2.764 N/A PHE 603.A N PHE 506.A O no hydrogen 2.921 N/A VAL 604.A N TYR 648.A O no hydrogen 2.875 N/A PHE 605.A N LYS 504.A O no hydrogen 2.931 N/A VAL 606.A N ASN 646.A O no hydrogen 3.083 N/A TYR 607.A N VAL 502.A O no hydrogen 2.946 N/A TYR 607.A OH ASP 625.A OD2 no hydrogen 2.789 N/A PHE 609.A N ASP 500.A O no hydrogen 3.069 N/A LYS 614.A N ASN 626.A OD1 no hydrogen 3.411 N/A LEU 616.A N VAL 623.A O no hydrogen 3.059 N/A PHE 622.A N GLU 620.A O no hydrogen 2.693 N/A LEU 629.A N GLU 240.A OE2 no hydrogen 2.853 N/A PHE 631.A N PRO 628.A O no hydrogen 3.212 N/A LEU 633.A N GLY 630.A O no hydrogen 2.658 N/A ARG 635.A NH1 LYS 423.A O no hydrogen 3.008 N/A PHE 642.A N ASP 639.A O no hydrogen 3.371 N/A LYS 643.A N ASP 639.A O no hydrogen 3.410 N/A LYS 643.A NZ ASP 639.A OD2 no hydrogen 3.231 N/A ASN 646.A ND2 LEU 430.A O no hydrogen 2.967 N/A ASN 646.A ND2 VAL 606.A O no hydrogen 2.534 N/A MET 647.A N VAL 644.A O no hydrogen 2.972 N/A TYR 648.A N VAL 604.A O no hydrogen 2.951 N/A LYS 650.A N LEU 602.A O no hydrogen 2.842 N/A ILE 652.A N PHE 600.A O no hydrogen 2.918 N/A ILE 654.A N PHE 598.A O no hydrogen 2.879 N/A TYR 655.A N LEU 445.A O no hydrogen 2.735 N/A HIS 656.A N THR 594.A O no hydrogen 3.109 N/A GLU 657.A N THR 447.A O no hydrogen 2.822 N/A ARG 660.A NH2 GLY 593.A O no hydrogen 3.132 N/A LYS 664.A N PHE 661.A O no hydrogen 2.896 N/A PHE 665.A N PRO 662.A O no hydrogen 2.763 N/A ASN 666.A N TYR 663.A O no hydrogen 2.800 N/A ASN 666.A ND2 ALA 187.A O no hydrogen 2.703 N/A ASN 666.A ND2 ASN 188.A OD1 no hydrogen 2.949 N/A