Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8toq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N SER 2.A OG no hydrogen 3.253 N/A GLU 6.A N SER 2.A O no hydrogen 2.877 N/A GLN 7.A N THR 3.A O no hydrogen 2.943 N/A ALA 8.A N ILE 4.A O no hydrogen 2.889 N/A LYS 9.A N GLU 5.A O no hydrogen 2.845 N/A THR 10.A N GLU 6.A O no hydrogen 2.937 N/A THR 10.A OG1 GLU 6.A O no hydrogen 3.101 N/A PHE 11.A N GLN 7.A O no hydrogen 2.907 N/A LEU 12.A N ALA 8.A O no hydrogen 2.832 N/A ASP 13.A N LYS 9.A O no hydrogen 2.933 N/A LYS 14.A N THR 10.A O no hydrogen 3.123 N/A PHE 15.A N PHE 11.A O no hydrogen 2.802 N/A ASN 16.A N LEU 12.A O no hydrogen 2.789 N/A ASN 16.A ND2 GLN 79.A OE1 no hydrogen 3.395 N/A HIS 17.A N ASP 13.A O no hydrogen 3.328 N/A GLU 18.A N LYS 14.A O no hydrogen 2.942 N/A ALA 19.A N PHE 15.A O no hydrogen 2.677 N/A GLU 20.A N ASN 16.A O no hydrogen 3.105 N/A ASP 21.A N HIS 17.A O no hydrogen 3.209 N/A LEU 22.A N GLU 18.A O no hydrogen 3.083 N/A PHE 23.A N ALA 19.A O no hydrogen 2.731 N/A TYR 24.A N GLU 20.A O no hydrogen 2.956 N/A GLN 25.A N ASP 21.A O no hydrogen 3.085 N/A SER 26.A N LEU 22.A O no hydrogen 2.711 N/A SER 26.A OG LEU 22.A O no hydrogen 2.884 N/A SER 26.A OG ALA 48.A O no hydrogen 3.012 N/A SER 27.A N PHE 23.A O no hydrogen 2.746 N/A SER 27.A OG PHE 23.A O no hydrogen 2.981 N/A SER 27.A OG TYR 24.A O no hydrogen 3.531 N/A LEU 28.A N TYR 24.A O no hydrogen 2.830 N/A ALA 29.A N GLN 25.A O no hydrogen 3.253 N/A ALA 29.A N SER 26.A O no hydrogen 3.041 N/A SER 30.A N SER 26.A O no hydrogen 3.243 N/A TRP 31.A N SER 27.A O no hydrogen 3.089 N/A ASN 32.A N LEU 28.A O no hydrogen 3.346 N/A TYR 33.A N ALA 29.A O no hydrogen 3.186 N/A ASN 34.A N SER 30.A O no hydrogen 3.093 N/A ASN 34.A ND2 SER 30.A O no hydrogen 2.565 N/A THR 35.A N TRP 31.A O no hydrogen 3.234 N/A THR 35.A OG1 TRP 31.A O no hydrogen 2.466 N/A THR 35.A OG1 ASN 32.A O no hydrogen 3.324 N/A ASN 36.A N TYR 33.A O no hydrogen 2.993 N/A THR 38.A OG1 GLU 40.A OE1 no hydrogen 3.460 N/A ASN 41.A N THR 38.A OG1 no hydrogen 2.927 N/A ASN 41.A ND2 ASN 36.A O no hydrogen 3.204 N/A VAL 42.A N THR 38.A O no hydrogen 3.391 N/A ASN 44.A N GLU 40.A O no hydrogen 2.757 N/A MET 45.A N ASN 41.A O no hydrogen 2.594 N/A ASN 46.A N VAL 42.A O no hydrogen 3.152 N/A ASN 46.A ND2 VAL 42.A O no hydrogen 2.278 N/A ASN 47.A N GLN 43.A O no hydrogen 2.689 N/A ALA 48.A N ASN 44.A O no hydrogen 3.086 N/A GLY 49.A N MET 45.A O no hydrogen 2.633 N/A ASP 50.A N ASN 46.A O no hydrogen 2.681 N/A LYS 51.A N ASN 47.A O no hydrogen 3.373 N/A TRP 52.A N ALA 48.A O no hydrogen 3.256 N/A SER 53.A N GLY 49.A O no hydrogen 3.186 N/A ALA 54.A N ASP 50.A O no hydrogen 3.166 N/A PHE 55.A N LYS 51.A O no hydrogen 3.306 N/A LEU 56.A N TRP 52.A O no hydrogen 3.471 N/A GLU 58.A N ALA 54.A O no hydrogen 3.020 N/A GLN 59.A N PHE 55.A O no hydrogen 2.873 N/A SER 60.A N LEU 56.A O no hydrogen 2.815 N/A SER 60.A OG LEU 83.A O no hydrogen 2.568 N/A THR 61.A N LYS 57.A O no hydrogen 3.030 N/A THR 61.A OG1 LYS 57.A O no hydrogen 3.534 N/A LEU 62.A N GLU 58.A O no hydrogen 3.022 N/A ALA 63.A N GLN 59.A O no hydrogen 2.929 N/A GLN 64.A N SER 60.A O no hydrogen 3.260 N/A GLN 64.A N THR 61.A O no hydrogen 3.117 N/A GLN 64.A NE2 GLN 84.A O no hydrogen 3.603 N/A GLN 64.A NE2 ASN 86.A OD1 no hydrogen 3.273 N/A MET 65.A N LEU 62.A O no hydrogen 3.308 N/A TYR 66.A N ALA 63.A O no hydrogen 3.354 N/A GLN 69.A N GLN 69.A OE1 no hydrogen 2.617 N/A GLU 70.A N PRO 67.A O no hydrogen 3.129 N/A ILE 71.A N LEU 68.A O no hydrogen 3.158 N/A GLN 72.A N GLU 5.A OE1 no hydrogen 2.931 N/A THR 75.A OG1 ASN 73.A OD1 no hydrogen 3.553 N/A LYS 77.A N ASN 73.A O no hydrogen 2.917 N/A LYS 77.A NZ ILE 71.A O no hydrogen 3.448 N/A LEU 78.A N LEU 74.A O no hydrogen 2.803 N/A GLN 79.A NE2 THR 75.A O no hydrogen 3.186 N/A LEU 80.A N VAL 76.A O no hydrogen 2.895 N/A GLN 81.A N LYS 77.A O no hydrogen 2.818 N/A ALA 82.A N LEU 78.A O no hydrogen 3.354 N/A LEU 83.A N GLN 79.A O no hydrogen 3.151 N/A GLN 84.A N LEU 80.A O no hydrogen 2.750 N/A GLN 84.A NE2 ALA 63.A O no hydrogen 3.095 N/A GLN 84.A NE2 TYR 66.A O no hydrogen 2.762 N/A GLN 85.A NE2 ALA 82.A O no hydrogen 3.325 N/A SER 89.A N ASN 86.A O no hydrogen 3.120 N/A SER 89.A OG ASN 86.A O no hydrogen 2.945 N/A LEU 91.A N SER 88.A O no hydrogen 3.168 N/A LYS 95.A N SER 92.A OG no hydrogen 3.151 N/A LYS 95.A NZ GLU 172.A OE1 no hydrogen 2.789 N/A SER 96.A N SER 92.A O no hydrogen 2.828 N/A SER 96.A OG SER 88.A O no hydrogen 3.319 N/A SER 96.A OG LEU 91.A O no hydrogen 3.511 N/A SER 96.A OG SER 92.A O no hydrogen 3.027 N/A LYS 97.A N GLU 93.A O no hydrogen 3.038 N/A LYS 97.A NZ THR 101.A OG1 no hydrogen 2.865 N/A ARG 98.A N ASP 94.A O no hydrogen 2.858 N/A ARG 98.A NH1 ASP 94.A OD1 no hydrogen 3.441 N/A LEU 99.A N LYS 95.A O no hydrogen 2.837 N/A ASN 100.A N SER 96.A O no hydrogen 2.930 N/A THR 101.A N LYS 97.A O no hydrogen 3.005 N/A THR 101.A OG1 LYS 97.A O no hydrogen 3.053 N/A ILE 102.A N ARG 98.A O no hydrogen 2.849 N/A LEU 103.A N LEU 99.A O no hydrogen 2.790 N/A ASN 104.A N ASN 100.A O no hydrogen 2.955 N/A THR 105.A N THR 101.A O no hydrogen 2.920 N/A THR 105.A OG1 THR 101.A O no hydrogen 2.636 N/A MET 106.A N ILE 102.A O no hydrogen 2.937 N/A SER 107.A N LEU 103.A O no hydrogen 3.094 N/A SER 107.A OG ASN 486.A OD1 no hydrogen 3.052 N/A THR 108.A N ASN 104.A O no hydrogen 2.978 N/A THR 108.A OG1 ASN 104.A O no hydrogen 3.297 N/A ILE 109.A N THR 105.A O no hydrogen 2.784 N/A TYR 110.A N MET 106.A O no hydrogen 3.038 N/A SER 111.A N SER 107.A O no hydrogen 3.011 N/A SER 111.A OG SER 107.A O no hydrogen 3.220 N/A SER 111.A OG THR 108.A O no hydrogen 3.513 N/A THR 112.A N THR 108.A O no hydrogen 2.988 N/A THR 112.A OG1 THR 108.A O no hydrogen 2.696 N/A GLY 113.A N TYR 110.A O no hydrogen 3.127 N/A VAL 115.A N LEU 125.A O no hydrogen 3.024 N/A CYS 116.A SG PRO 121.A O no hydrogen 3.797 N/A ASN 117.A N GLU 123.A O no hydrogen 2.843 N/A ASN 117.A ND2 GLU 123.A OE1 no hydrogen 2.890 N/A ASP 119.A N ASN 117.A OD1 no hydrogen 3.226 N/A ASN 120.A N ASN 117.A O no hydrogen 3.147 N/A GLU 123.A N ASN 120.A O no hydrogen 2.999 N/A CYS 124.A SG PRO 121.A O no hydrogen 3.726 N/A LEU 125.A N VAL 115.A O no hydrogen 2.677 N/A LEU 131.A N LEU 126.A O no hydrogen 2.775 N/A ASN 132.A N LEU 127.A O no hydrogen 2.770 N/A ASN 132.A ND2 GLU 128.A OE1 no hydrogen 3.006 N/A GLU 133.A N PRO 129.A O no hydrogen 2.887 N/A ILE 134.A N GLY 130.A O no hydrogen 3.339 N/A MET 135.A N LEU 131.A O no hydrogen 2.921 N/A ALA 136.A N ASN 132.A O no hydrogen 2.982 N/A ASN 137.A N GLU 133.A O no hydrogen 2.886 N/A SER 138.A N ILE 134.A O no hydrogen 2.916 N/A ASP 140.A N SER 138.A OG no hydrogen 3.186 N/A GLU 143.A N ASP 140.A OD1 no hydrogen 2.849 N/A ARG 144.A N ASP 140.A O no hydrogen 2.940 N/A ARG 144.A NE HIS 248.A O no hydrogen 2.782 N/A ARG 144.A NH1 MET 135.A O no hydrogen 2.837 N/A ARG 144.A NH1 SER 138.A O no hydrogen 3.032 N/A ARG 144.A NH2 MET 135.A O no hydrogen 2.887 N/A ARG 144.A NH2 HIS 248.A O no hydrogen 2.891 N/A LEU 145.A N TYR 141.A O no hydrogen 2.875 N/A TRP 146.A N ASN 142.A O no hydrogen 2.871 N/A ALA 147.A N GLU 143.A O no hydrogen 3.046 N/A TRP 148.A N ARG 144.A O no hydrogen 2.937 N/A GLU 149.A N LEU 145.A O no hydrogen 2.830 N/A SER 150.A N TRP 146.A O no hydrogen 2.881 N/A SER 150.A OG TRP 146.A O no hydrogen 2.539 N/A TRP 151.A N ALA 147.A O no hydrogen 3.164 N/A TRP 151.A NE1 SER 480.A O no hydrogen 3.042 N/A ARG 152.A N TRP 148.A O no hydrogen 3.427 N/A ARG 152.A NH1 TRP 148.A O no hydrogen 3.195 N/A ARG 152.A NH1 MET 253.A O no hydrogen 3.226 N/A ARG 152.A NH2 MET 253.A O no hydrogen 2.837 N/A SER 153.A N GLU 149.A O no hydrogen 2.827 N/A GLU 154.A N SER 150.A O no hydrogen 2.769 N/A VAL 155.A N TRP 151.A O no hydrogen 2.869 N/A GLY 156.A N TRP 151.A O no hydrogen 3.460 N/A LYS 157.A N ARG 152.A O no hydrogen 3.257 N/A LYS 157.A NZ THR 474.A OG1 no hydrogen 3.141 N/A GLN 158.A NE2 GLU 154.A O no hydrogen 2.983 N/A LEU 159.A N VAL 155.A O no hydrogen 3.201 N/A LEU 159.A N GLY 156.A O no hydrogen 3.073 N/A ARG 160.A N GLY 156.A O no hydrogen 3.095 N/A ARG 160.A N LYS 157.A O no hydrogen 3.338 N/A ARG 160.A NE GLU 164.A OE2 no hydrogen 2.736 N/A ARG 160.A NH1 GLU 473.A OE1 no hydrogen 2.818 N/A ARG 160.A NH1 TYR 475.A O no hydrogen 3.028 N/A ARG 160.A NH2 GLU 164.A OE2 no hydrogen 3.412 N/A ARG 160.A NH2 LYS 448.A O no hydrogen 2.694 N/A ARG 160.A NH2 GLU 473.A OE1 no hydrogen 3.394 N/A TYR 163.A N LEU 159.A O no hydrogen 2.625 N/A GLU 164.A N ARG 160.A O no hydrogen 3.168 N/A GLU 165.A N PRO 161.A O no hydrogen 3.382 N/A TYR 166.A N LEU 162.A O no hydrogen 2.913 N/A TYR 166.A OH ASP 487.A OD1 no hydrogen 2.516 N/A VAL 167.A N TYR 163.A O no hydrogen 3.028 N/A VAL 168.A N GLU 164.A O no hydrogen 3.260 N/A LEU 169.A N GLU 165.A O no hydrogen 2.931 N/A LYS 170.A N TYR 166.A O no hydrogen 2.898 N/A LYS 170.A NZ TYR 182.A OH no hydrogen 2.899 N/A LYS 170.A NZ ASP 487.A OD2 no hydrogen 2.931 N/A ASN 171.A N VAL 167.A O no hydrogen 2.974 N/A ASN 171.A ND2 PHE 442.A O no hydrogen 2.957 N/A GLU 172.A N VAL 168.A O no hydrogen 3.036 N/A MET 173.A N LEU 169.A O no hydrogen 3.075 N/A ALA 174.A N LYS 170.A O no hydrogen 2.945 N/A ARG 175.A N ASN 171.A O no hydrogen 2.769 N/A ALA 176.A N GLU 172.A O no hydrogen 3.019 N/A ASN 177.A N MET 173.A O no hydrogen 3.107 N/A ASN 177.A N ALA 174.A O no hydrogen 3.015 N/A HIS 178.A N ARG 175.A O no hydrogen 2.852 N/A TYR 179.A N ALA 174.A O no hydrogen 2.958 N/A GLU 180.A N ASP 184.A OD2 no hydrogen 2.872 N/A TYR 182.A N ASN 171.A OD1 no hydrogen 2.944 N/A TYR 182.A OH ASP 487.A OD1 no hydrogen 2.728 N/A TYR 182.A OH ASP 487.A OD2 no hydrogen 3.320 N/A ASP 184.A N ASP 181.A OD1 no hydrogen 2.853 N/A TYR 185.A N ASP 181.A O no hydrogen 2.922 N/A TRP 186.A N TYR 182.A O no hydrogen 3.010 N/A ARG 187.A N GLY 183.A O no hydrogen 2.956 N/A GLY 188.A N TYR 185.A O no hydrogen 3.087 N/A ASP 189.A N TRP 186.A O no hydrogen 3.215 N/A TYR 190.A N ARG 187.A O no hydrogen 3.187 N/A TYR 190.A OH GLU 376.A OE2 no hydrogen 2.637 N/A TYR 190.A OH THR 495.A OG1 no hydrogen 2.852 N/A GLU 191.A N GLY 188.A O no hydrogen 3.129 N/A VAL 192.A N TYR 200.A O no hydrogen 2.837 N/A ASN 193.A ND2 GLU 191.A OE2 no hydrogen 2.945 N/A VAL 195.A N ASP 199.A OD1 no hydrogen 3.030 N/A TYR 198.A N VAL 195.A O no hydrogen 3.044 N/A TYR 198.A OH GLU 549.A OE1 no hydrogen 2.673 N/A TYR 200.A N VAL 192.A O no hydrogen 2.991 N/A TYR 200.A OH ASP 208.A OD2 no hydrogen 2.526 N/A ARG 202.A NE ASP 184.A OD1 no hydrogen 2.752 N/A ARG 202.A NE ASP 184.A OD2 no hydrogen 3.306 N/A ARG 202.A NH1 GLU 191.A OE1 no hydrogen 2.864 N/A ARG 202.A NH2 ASP 184.A OD2 no hydrogen 3.121 N/A GLN 204.A N SER 201.A O no hydrogen 3.228 N/A GLN 204.A N SER 201.A OG no hydrogen 3.183 N/A GLN 204.A NE2 ASP 208.A OD1 no hydrogen 3.097 N/A ILE 206.A N GLY 203.A O no hydrogen 3.020 N/A ASP 208.A N GLN 204.A O no hydrogen 2.846 N/A VAL 209.A N LEU 205.A O no hydrogen 2.848 N/A GLU 210.A N ILE 206.A O no hydrogen 3.019 N/A HIS 211.A N GLU 207.A O no hydrogen 2.899 N/A THR 212.A N ASP 208.A O no hydrogen 3.031 N/A THR 212.A OG1 ASP 208.A O no hydrogen 2.874 N/A THR 212.A OG1 VAL 209.A O no hydrogen 3.101 N/A THR 212.A OG1 TYR 494.A OH no hydrogen 2.797 N/A PHE 213.A N VAL 209.A O no hydrogen 2.985 N/A GLU 214.A N GLU 210.A O no hydrogen 3.175 N/A ILE 216.A N THR 212.A O no hydrogen 3.282 N/A ILE 216.A N PHE 213.A O no hydrogen 2.945 N/A LYS 217.A N GLU 214.A O no hydrogen 3.296 N/A LYS 217.A NZ GLU 214.A OE1 no hydrogen 3.293 N/A LYS 217.A NZ GLU 214.A OE2 no hydrogen 2.916 N/A TYR 220.A N ILE 216.A O no hydrogen 2.982 N/A TYR 220.A OH VAL 463.A O no hydrogen 2.468 N/A GLU 221.A N LYS 217.A O no hydrogen 2.703 N/A HIS 222.A N PRO 218.A O no hydrogen 3.026 N/A LEU 223.A N LEU 219.A O no hydrogen 2.924 N/A HIS 224.A N TYR 220.A O no hydrogen 2.738 N/A HIS 224.A NE2 GLY 464.A O no hydrogen 2.944 N/A ALA 225.A N GLU 221.A O no hydrogen 2.885 N/A TYR 226.A N HIS 222.A O no hydrogen 3.015 N/A TYR 226.A OH THR 265.A O no hydrogen 2.620 N/A VAL 227.A N LEU 223.A O no hydrogen 2.880 N/A ARG 228.A N HIS 224.A O no hydrogen 2.792 N/A ARG 228.A NH1 GLY 243.A O no hydrogen 2.955 N/A ARG 228.A NH1 GLY 583.A O no hydrogen 2.858 N/A ARG 228.A NH2 GLY 583.A O no hydrogen 2.981 N/A ALA 229.A N ALA 225.A O no hydrogen 3.116 N/A LYS 230.A N TYR 226.A O no hydrogen 3.112 N/A LEU 231.A N VAL 227.A O no hydrogen 2.729 N/A MET 232.A N ARG 228.A O no hydrogen 3.092 N/A ASN 233.A N LYS 230.A O no hydrogen 3.100 N/A ALA 234.A N LYS 230.A O no hydrogen 3.253 N/A TYR 235.A N LEU 231.A O no hydrogen 2.808 N/A TYR 235.A OH SER 138.A O no hydrogen 3.235 N/A SER 237.A OG PRO 236.A O no hydrogen 2.572 N/A TYR 238.A N TYR 235.A O no hydrogen 3.322 N/A ILE 242.A N SER 240.A OG no hydrogen 3.304 N/A GLY 243.A N SER 240.A O no hydrogen 3.368 N/A CYS 244.A SG ARG 460.A O no hydrogen 3.660 N/A LEU 245.A N GLY 464.A O no hydrogen 2.889 N/A ALA 247.A N VAL 466.A O no hydrogen 2.773 N/A LEU 249.A N PRO 246.A O no hydrogen 3.136 N/A TRP 254.A N ASP 252.A OD1 no hydrogen 2.802 N/A TRP 254.A NE1 SER 480.A O no hydrogen 2.848 N/A GLY 255.A N ASP 252.A OD1 no hydrogen 2.571 N/A ARG 256.A N ASP 252.A OD1 no hydrogen 3.130 N/A PHE 257.A N ASP 252.A OD2 no hydrogen 3.175 N/A TRP 258.A N LEU 422.A O no hydrogen 2.990 N/A THR 259.A OG1 THR 423.A OG1 no hydrogen 2.468 N/A ASN 260.A ND2 GLY 251.A O no hydrogen 2.816 N/A LEU 261.A N TRP 258.A O no hydrogen 2.838 N/A TYR 262.A N THR 259.A O no hydrogen 3.345 N/A LEU 264.A N LEU 261.A O no hydrogen 3.043 N/A THR 265.A N TYR 262.A O no hydrogen 2.950 N/A THR 265.A OG1 LEU 261.A O no hydrogen 2.946 N/A THR 265.A OG1 TYR 262.A O no hydrogen 3.514 N/A PHE 268.A N ASN 415.A OD1 no hydrogen 3.032 N/A LYS 271.A N PHE 268.A O no hydrogen 3.109 N/A LYS 271.A NZ ASP 409.A OD2 no hydrogen 3.075 N/A LYS 271.A NZ GLU 411.A OE1 no hydrogen 3.469 N/A ASN 273.A ND2 TYR 262.A OH no hydrogen 3.062 N/A THR 277.A N ASP 275.A OD1 no hydrogen 2.850 N/A THR 277.A OG1 ASP 275.A OD1 no hydrogen 2.786 N/A MET 280.A N VAL 276.A O no hydrogen 2.994 N/A MET 280.A N THR 277.A O no hydrogen 3.230 N/A VAL 281.A N THR 277.A O no hydrogen 3.082 N/A ASP 282.A N ASP 278.A O no hydrogen 2.851 N/A GLN 283.A N ALA 279.A O no hydrogen 3.215 N/A GLN 283.A NE2 GLY 400.A O no hydrogen 2.721 N/A ALA 284.A N VAL 281.A O no hydrogen 3.132 N/A TRP 285.A N MET 280.A O no hydrogen 3.022 N/A ARG 289.A N ASP 286.A OD2 no hydrogen 2.814 N/A ARG 289.A NE GLU 293.A OE2 no hydrogen 3.176 N/A ARG 289.A NH2 GLU 293.A OE2 no hydrogen 3.308 N/A ILE 290.A N ASP 286.A O no hydrogen 3.191 N/A PHE 291.A N ALA 287.A O no hydrogen 3.241 N/A LYS 292.A N GLN 288.A O no hydrogen 3.078 N/A LYS 292.A NZ GLU 295.A OE1 no hydrogen 3.445 N/A GLU 293.A N ARG 289.A O no hydrogen 2.957 N/A ALA 294.A N ILE 290.A O no hydrogen 2.910 N/A GLU 295.A N PHE 291.A O no hydrogen 2.793 N/A LYS 296.A N LYS 292.A O no hydrogen 2.885 N/A PHE 297.A N GLU 293.A O no hydrogen 2.980 N/A PHE 298.A N ALA 294.A O no hydrogen 3.230 N/A VAL 299.A N GLU 295.A O no hydrogen 2.924 N/A SER 300.A N LYS 296.A O no hydrogen 2.883 N/A SER 300.A OG ASN 524.A OD1 no hydrogen 3.278 N/A VAL 301.A N PHE 298.A O no hydrogen 3.195 N/A GLY 302.A N VAL 299.A O no hydrogen 3.096 N/A LEU 303.A N PHE 298.A O no hydrogen 3.145 N/A MET 306.A N GLU 295.A OE2 no hydrogen 2.976 N/A PHE 310.A N THR 307.A OG1 no hydrogen 3.006 N/A TRP 311.A N THR 307.A O no hydrogen 3.427 N/A GLU 312.A N GLN 308.A O no hydrogen 3.046 N/A ASN 313.A N GLY 309.A O no hydrogen 2.755 N/A ASN 313.A ND2 GLY 309.A O no hydrogen 2.692 N/A SER 314.A N PHE 310.A O no hydrogen 2.776 N/A SER 314.A OG PHE 310.A O no hydrogen 2.762 N/A MET 315.A N ILE 336.A O no hydrogen 3.223 N/A THR 317.A OG1 ASP 318.A O no hydrogen 3.509 N/A VAL 321.A N ASN 34.A O no hydrogen 3.043 N/A THR 325.A N LEU 337.A O no hydrogen 3.042 N/A THR 325.A OG1 HIS 323.A O no hydrogen 3.253 N/A THR 325.A OG1 LEU 337.A O no hydrogen 3.538 N/A TRP 327.A N ARG 335.A O no hydrogen 2.702 N/A TRP 327.A NE1 THR 325.A OG1 no hydrogen 3.070 N/A LEU 329.A N ASP 333.A O no hydrogen 3.207 N/A LYS 331.A NZ ASP 21.A OD1 no hydrogen 2.767 N/A ASP 333.A N GLY 330.A O no hydrogen 3.105 N/A ARG 335.A N TRP 327.A O no hydrogen 3.122 N/A ARG 335.A NE ASP 333.A OD1 no hydrogen 2.891 N/A ILE 336.A N SER 314.A OG no hydrogen 2.978 N/A LEU 337.A N THR 325.A O no hydrogen 2.950 N/A MET 338.A N MET 315.A O no hydrogen 3.023 N/A THR 340.A N LEU 316.A O no hydrogen 3.292 N/A THR 340.A OG1 LEU 316.A O no hydrogen 2.490 N/A THR 340.A OG1 MET 338.A O no hydrogen 3.333 N/A LYS 341.A N ASP 346.A OD2 no hydrogen 2.640 N/A THR 343.A N LYS 341.A O no hydrogen 2.845 N/A MET 344.A N THR 277.A OG1 no hydrogen 2.971 N/A ASP 346.A N THR 343.A OG1 no hydrogen 3.367 N/A PHE 347.A N THR 343.A O no hydrogen 3.122 N/A LEU 348.A N MET 344.A O no hydrogen 2.982 N/A THR 349.A N ASP 345.A O no hydrogen 2.703 N/A THR 349.A OG1 ASP 345.A O no hydrogen 3.271 N/A ALA 350.A N ASP 346.A O no hydrogen 2.919 N/A HIS 351.A N PHE 347.A O no hydrogen 3.469 N/A HIS 351.A ND1 PHE 347.A O no hydrogen 2.838 N/A HIS 352.A N LEU 348.A O no hydrogen 3.107 N/A GLU 353.A N THR 349.A O no hydrogen 2.821 N/A MET 354.A N ALA 350.A O no hydrogen 3.061 N/A GLY 355.A N HIS 351.A O no hydrogen 3.082 N/A HIS 356.A N HIS 352.A O no hydrogen 3.285 N/A HIS 356.A ND1 HIS 379.A ND1 no hydrogen 2.787 N/A ILE 357.A N GLU 353.A O no hydrogen 3.202 N/A GLN 358.A N MET 354.A O no hydrogen 2.744 N/A GLN 358.A NE2 PRO 304.A O no hydrogen 3.171 N/A TYR 359.A N GLY 355.A O no hydrogen 2.963 N/A ASP 360.A N HIS 356.A O no hydrogen 2.804 N/A MET 361.A N ILE 357.A O no hydrogen 2.778 N/A ALA 362.A N GLN 358.A O no hydrogen 2.990 N/A TYR 363.A N TYR 359.A O no hydrogen 3.398 N/A TYR 363.A OH HIS 379.A NE2 no hydrogen 3.238 N/A ALA 364.A N MET 361.A O no hydrogen 3.275 N/A GLN 366.A N TYR 363.A O no hydrogen 3.039 N/A GLN 366.A NE2 ARG 537.A O no hydrogen 2.915 N/A LEU 370.A N PRO 367.A O no hydrogen 2.853 N/A ARG 371.A N PHE 368.A O no hydrogen 3.047 N/A ASN 372.A ND2 LEU 369.A O no hydrogen 3.362 N/A ALA 374.A N TYR 359.A OH no hydrogen 3.209 N/A ASN 375.A ND2 TYR 499.A OH no hydrogen 3.034 N/A GLU 376.A N ASP 189.A OD1 no hydrogen 3.111 N/A GLY 377.A N ASN 375.A OD1 no hydrogen 2.919 N/A PHE 378.A N ASN 375.A O no hydrogen 3.043 N/A HIS 379.A ND1 HIS 356.A ND1 no hydrogen 2.787 N/A HIS 379.A NE2 ASP 360.A OD1 no hydrogen 3.002 N/A HIS 379.A NE2 TYR 363.A OH no hydrogen 3.238 N/A ALA 381.A N GLY 377.A O no hydrogen 3.451 N/A VAL 382.A N PHE 378.A O no hydrogen 3.008 N/A GLY 383.A N HIS 379.A O no hydrogen 3.171 N/A GLU 384.A N GLU 380.A O no hydrogen 2.932 N/A ILE 385.A N ALA 381.A O no hydrogen 3.307 N/A MET 386.A N GLY 383.A O no hydrogen 3.246 N/A SER 387.A OG LEU 348.A O no hydrogen 3.190 N/A LEU 388.A N GLU 384.A O no hydrogen 3.117 N/A SER 389.A N ILE 385.A O no hydrogen 3.284 N/A ALA 390.A N MET 386.A O no hydrogen 3.153 N/A ALA 391.A N SER 387.A O no hydrogen 3.070 N/A THR 392.A N SER 389.A O no hydrogen 3.471 N/A THR 392.A OG1 SER 389.A O no hydrogen 2.982 N/A HIS 395.A N THR 392.A OG1 no hydrogen 3.204 N/A HIS 395.A ND1 ASP 521.A OD2 no hydrogen 2.862 N/A LEU 396.A N THR 392.A O no hydrogen 2.962 N/A LYS 397.A N PRO 393.A O no hydrogen 2.875 N/A LYS 397.A NZ PRO 404.A O no hydrogen 3.462 N/A LYS 397.A NZ PHE 406.A O no hydrogen 3.093 N/A SER 398.A N LYS 394.A O no hydrogen 3.429 N/A SER 398.A OG HIS 395.A O no hydrogen 3.133 N/A ILE 399.A N HIS 395.A O no hydrogen 3.371 N/A GLY 400.A N LYS 397.A O no hydrogen 2.848 N/A LEU 401.A N LEU 396.A O no hydrogen 2.880 N/A LEU 402.A N LEU 396.A O no hydrogen 3.123 N/A ASP 405.A N SER 403.A OG no hydrogen 3.281 N/A PHE 406.A N SER 403.A O no hydrogen 2.930 N/A GLN 407.A NE2 ASP 405.A O no hydrogen 3.499 N/A THR 412.A N ASP 409.A OD1 no hydrogen 2.669 N/A THR 412.A OG1 ASP 409.A OD1 no hydrogen 3.034 N/A THR 412.A OG1 ASP 409.A OD2 no hydrogen 3.563 N/A GLU 413.A N ASP 409.A O no hydrogen 3.064 N/A ILE 414.A N ASN 410.A O no hydrogen 3.213 N/A ASN 415.A N GLU 411.A O no hydrogen 3.138 N/A ASN 415.A ND2 PHE 268.A O no hydrogen 2.779 N/A ASN 415.A ND2 LYS 271.A O no hydrogen 3.354 N/A PHE 416.A N THR 412.A O no hydrogen 3.137 N/A LEU 417.A N GLU 413.A O no hydrogen 3.066 N/A LEU 418.A N ILE 414.A O no hydrogen 2.957 N/A LYS 419.A N ASN 415.A O no hydrogen 2.996 N/A GLN 420.A N PHE 416.A O no hydrogen 2.824 N/A GLN 420.A NE2 TYR 565.A OH no hydrogen 2.876 N/A ALA 421.A N LEU 417.A O no hydrogen 2.818 N/A LEU 422.A N LEU 418.A O no hydrogen 2.931 N/A THR 423.A N GLN 420.A O no hydrogen 3.258 N/A THR 423.A OG1 THR 259.A OG1 no hydrogen 2.468 N/A ILE 424.A N GLN 420.A O no hydrogen 2.771 N/A VAL 425.A N ALA 421.A O no hydrogen 2.889 N/A GLY 426.A N ALA 421.A O no hydrogen 2.930 N/A THR 427.A OG1 ARG 256.A O no hydrogen 2.758 N/A THR 427.A OG1 THR 431.A OG1 no hydrogen 3.395 N/A LEU 428.A N VAL 425.A O no hydrogen 3.116 N/A THR 431.A N THR 427.A O no hydrogen 2.804 N/A THR 431.A OG1 THR 427.A O no hydrogen 2.758 N/A THR 431.A OG1 THR 427.A OG1 no hydrogen 3.395 N/A TYR 432.A N LEU 428.A O no hydrogen 2.967 N/A MET 433.A N PRO 429.A O no hydrogen 2.928 N/A LEU 434.A N PHE 430.A O no hydrogen 3.012 N/A GLU 435.A N THR 431.A O no hydrogen 3.147 N/A LYS 436.A N TYR 432.A O no hydrogen 2.808 N/A LYS 436.A NZ GLU 210.A OE2 no hydrogen 3.356 N/A TRP 437.A N MET 433.A O no hydrogen 3.000 N/A TRP 437.A NE1 TRP 451.A O no hydrogen 3.114 N/A ARG 438.A N LEU 434.A O no hydrogen 3.099 N/A ARG 438.A NE GLU 435.A OE1 no hydrogen 2.989 N/A ARG 438.A NH1 HIS 483.A O no hydrogen 3.526 N/A ARG 438.A NH1 TYR 488.A O no hydrogen 2.953 N/A ARG 438.A NH2 GLU 435.A OE1 no hydrogen 2.841 N/A ARG 438.A NH2 TYR 488.A O no hydrogen 2.634 N/A TRP 439.A N GLU 435.A O no hydrogen 2.763 N/A MET 440.A N LYS 436.A O no hydrogen 2.896 N/A VAL 441.A N TRP 437.A O no hydrogen 2.864 N/A PHE 442.A N ARG 438.A O no hydrogen 2.853 N/A LYS 443.A N TRP 439.A O no hydrogen 3.028 N/A GLY 444.A N VAL 441.A O no hydrogen 2.945 N/A GLU 445.A N MET 440.A O no hydrogen 2.962 N/A GLN 450.A N PRO 447.A O no hydrogen 2.873 N/A TRP 451.A N LYS 448.A O no hydrogen 3.283 N/A MET 452.A N GLU 473.A OE1 no hydrogen 2.827 N/A MET 452.A N GLU 473.A OE2 no hydrogen 2.963 N/A LYS 453.A N GLU 473.A OE2 no hydrogen 3.096 N/A LYS 453.A NZ GLU 457.A OE2 no hydrogen 3.533 N/A LYS 454.A N GLN 450.A O no hydrogen 2.790 N/A TRP 455.A N TRP 451.A O no hydrogen 2.987 N/A TRP 456.A N MET 452.A O no hydrogen 3.138 N/A TRP 456.A NE1 ASP 477.A OD2 no hydrogen 2.793 N/A GLU 457.A N LYS 453.A O no hydrogen 3.003 N/A MET 458.A N LYS 454.A O no hydrogen 2.903 N/A LYS 459.A N TRP 455.A O no hydrogen 2.908 N/A ARG 460.A N TRP 456.A O no hydrogen 3.064 N/A ARG 460.A NE GLU 467.A OE1 no hydrogen 3.223 N/A ARG 460.A NH1 THR 586.A O no hydrogen 2.947 N/A ARG 460.A NH2 GLU 467.A OE1 no hydrogen 3.323 N/A ARG 460.A NH2 GLU 467.A OE2 no hydrogen 3.000 N/A GLU 461.A N GLU 457.A O no hydrogen 2.980 N/A ILE 462.A N MET 458.A O no hydrogen 2.869 N/A VAL 463.A N LYS 459.A O no hydrogen 3.122 N/A GLY 464.A N ARG 460.A O no hydrogen 3.252 N/A VAL 465.A N LYS 459.A O no hydrogen 3.092 N/A VAL 466.A N LEU 245.A O no hydrogen 2.927 N/A GLU 467.A N GLU 467.A OE1 no hydrogen 2.576 N/A HIS 471.A ND1 ASP 477.A OD2 no hydrogen 2.682 N/A HIS 471.A NE2 GLU 149.A OE1 no hydrogen 2.666 N/A THR 474.A N ASP 472.A OD1 no hydrogen 3.113 N/A THR 474.A OG1 ASP 472.A OD1 no hydrogen 2.669 N/A TYR 475.A N ASP 472.A O no hydrogen 3.285 N/A TYR 475.A OH GLU 149.A OE2 no hydrogen 2.606 N/A SER 480.A N ASP 477.A O no hydrogen 3.041 N/A SER 480.A OG ASP 477.A O no hydrogen 2.776 N/A LEU 481.A N PRO 478.A O no hydrogen 3.006 N/A HIS 483.A NE2 TYR 493.A OH no hydrogen 2.850 N/A VAL 484.A N LEU 481.A O no hydrogen 3.027 N/A SER 485.A N LEU 481.A O no hydrogen 3.210 N/A SER 485.A OG ALA 479.A O no hydrogen 3.319 N/A SER 485.A OG LEU 481.A O no hydrogen 3.254 N/A SER 485.A OG PHE 482.A O no hydrogen 3.273 N/A ASN 486.A N PHE 482.A O no hydrogen 2.855 N/A ASN 486.A ND2 PHE 482.A O no hydrogen 3.064 N/A ASN 486.A ND2 SER 485.A OG no hydrogen 3.274 N/A ASP 487.A N VAL 484.A O no hydrogen 3.279 N/A TYR 488.A N HIS 483.A O no hydrogen 2.895 N/A PHE 490.A N GLU 435.A OE2 no hydrogen 2.671 N/A ILE 491.A N GLU 435.A OE2 no hydrogen 2.940 N/A ARG 492.A NE SER 489.A O no hydrogen 3.200 N/A ARG 492.A NH2 SER 489.A O no hydrogen 3.270 N/A TYR 493.A N PHE 490.A O no hydrogen 3.062 N/A TYR 493.A OH HIS 483.A NE2 no hydrogen 2.850 N/A TYR 494.A N ILE 491.A O no hydrogen 2.897 N/A TYR 494.A OH THR 212.A OG1 no hydrogen 2.797 N/A THR 495.A N ILE 491.A O no hydrogen 3.025 N/A THR 495.A OG1 TYR 190.A OH no hydrogen 2.852 N/A THR 495.A OG1 ARG 492.A O no hydrogen 3.421 N/A ARG 496.A N ARG 492.A O no hydrogen 2.913 N/A ARG 496.A NH1 GLN 500.A OE1 no hydrogen 2.750 N/A THR 497.A OG1 TYR 493.A O no hydrogen 2.568 N/A LEU 498.A N TYR 494.A O no hydrogen 3.200 N/A TYR 499.A N THR 495.A O no hydrogen 2.840 N/A GLN 500.A N ARG 496.A O no hydrogen 2.989 N/A GLN 502.A N LEU 498.A O no hydrogen 3.091 N/A GLN 502.A NE2 ASN 556.A O no hydrogen 3.228 N/A PHE 503.A N TYR 499.A O no hydrogen 2.786 N/A GLN 504.A N GLN 500.A O no hydrogen 3.044 N/A GLU 505.A N PHE 501.A O no hydrogen 3.113 N/A ALA 506.A N GLN 502.A O no hydrogen 3.220 N/A LEU 507.A N PHE 503.A O no hydrogen 2.890 N/A CYS 508.A N GLN 504.A O no hydrogen 2.798 N/A CYS 508.A SG GLN 504.A O no hydrogen 3.083 N/A GLN 509.A N GLU 505.A O no hydrogen 2.888 N/A ALA 510.A N ALA 506.A O no hydrogen 2.944 N/A ALA 511.A N LEU 507.A O no hydrogen 2.960 N/A LYS 512.A N GLN 509.A O no hydrogen 2.858 N/A HIS 513.A N CYS 508.A O no hydrogen 2.902 N/A HIS 513.A NE2 PRO 516.A O no hydrogen 2.798 N/A LYS 519.A N PRO 516.A O no hydrogen 3.095 N/A LYS 519.A NZ GLU 413.A OE1 no hydrogen 2.899 N/A CYS 520.A N LEU 517.A O no hydrogen 3.167 N/A ILE 522.A N SER 389.A OG no hydrogen 3.030 N/A SER 523.A N ASP 521.A OD1 no hydrogen 3.233 N/A SER 523.A OG HIS 395.A ND1 no hydrogen 3.131 N/A SER 523.A OG ASP 521.A OD1 no hydrogen 3.017 N/A SER 523.A OG ASP 521.A OD2 no hydrogen 3.364 N/A ASN 524.A N SER 300.A OG no hydrogen 2.390 N/A SER 525.A N ILE 522.A O no hydrogen 3.259 N/A ALA 528.A N SER 525.A OG no hydrogen 3.250 N/A GLY 529.A N SER 525.A O no hydrogen 3.298 N/A GLN 530.A N THR 526.A O no hydrogen 2.906 N/A GLN 530.A NE2 ASN 534.A OD1 no hydrogen 2.972 N/A LYS 531.A N GLU 527.A O no hydrogen 2.976 N/A LEU 532.A N ALA 528.A O no hydrogen 2.918 N/A PHE 533.A N GLY 529.A O no hydrogen 2.862 N/A ASN 534.A N GLN 530.A O no hydrogen 2.963 N/A MET 535.A N LEU 532.A O no hydrogen 3.046 N/A LEU 536.A N LEU 532.A O no hydrogen 3.004 N/A ARG 537.A N PHE 533.A O no hydrogen 3.140 N/A LEU 538.A N MET 535.A O no hydrogen 3.112 N/A GLY 539.A N LEU 536.A O no hydrogen 3.368 N/A LYS 540.A N LEU 370.A O no hydrogen 2.987 N/A SER 541.A N LEU 538.A O no hydrogen 2.931 N/A SER 541.A OG LEU 538.A O no hydrogen 2.520 N/A TRP 544.A NE1 TYR 190.A O no hydrogen 2.783 N/A THR 545.A OG1 TYR 198.A O no hydrogen 2.740 N/A ALA 547.A N PRO 543.A O no hydrogen 3.023 N/A LEU 548.A N TRP 544.A O no hydrogen 2.850 N/A GLU 549.A N THR 545.A O no hydrogen 3.098 N/A ASN 550.A N LEU 546.A O no hydrogen 2.953 N/A ASN 550.A ND2 ASN 534.A O no hydrogen 2.884 N/A VAL 551.A N LEU 548.A O no hydrogen 3.070 N/A VAL 552.A N LEU 548.A O no hydrogen 2.988 N/A GLY 553.A N GLU 549.A O no hydrogen 2.955 N/A LYS 555.A NZ GLY 197.A O no hydrogen 2.469 N/A ASN 556.A ND2 ASP 208.A OD2 no hydrogen 2.940 N/A ASN 558.A N GLN 502.A OE1 no hydrogen 2.966 N/A ARG 560.A N ASN 558.A OD1 no hydrogen 2.996 N/A ARG 560.A NE GLU 215.A OE1 no hydrogen 2.971 N/A ARG 560.A NH2 GLU 215.A OE1 no hydrogen 3.207 N/A ARG 560.A NH2 GLU 215.A OE2 no hydrogen 3.309 N/A LEU 563.A N VAL 559.A O no hydrogen 3.029 N/A ASN 564.A N ARG 560.A O no hydrogen 2.852 N/A TYR 565.A N PRO 561.A O no hydrogen 2.941 N/A PHE 566.A N LEU 562.A O no hydrogen 3.193 N/A GLU 567.A N ASN 564.A O no hydrogen 3.099 N/A PHE 570.A N PHE 566.A O no hydrogen 2.826 N/A THR 571.A N GLU 567.A O no hydrogen 2.973 N/A THR 571.A OG1 GLU 567.A O no hydrogen 3.195 N/A TRP 572.A N PRO 568.A O no hydrogen 3.216 N/A LEU 573.A N LEU 569.A O no hydrogen 2.773 N/A LYS 574.A N PHE 570.A O no hydrogen 3.039 N/A ASP 575.A N THR 571.A O no hydrogen 3.380 N/A GLN 576.A N TRP 572.A O no hydrogen 2.993 N/A ASN 577.A N LEU 573.A O no hydrogen 2.875 N/A ASN 577.A ND2 HIS 222.A ND1 no hydrogen 3.068 N/A ASN 577.A ND2 HIS 222.A O no hydrogen 2.935 N/A LYS 578.A N ASP 575.A O no hydrogen 3.356 N/A LYS 578.A NZ ASP 575.A O no hydrogen 2.915 N/A LYS 578.A NZ ASP 575.A OD2 no hydrogen 3.243 N/A SER 580.A N ASN 577.A O no hydrogen 2.875 N/A SER 585.A N ILE 242.A O no hydrogen 2.822 N/A ASP 587.A N SER 585.A OG no hydrogen 3.192 N/A TYR 591.A OH GLU 467.A OE2 no hydrogen 3.105 N/A ALA 592.A N SER 589.A OG no hydrogen 2.914 N/A