Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2b9v_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N HIS 1.A ND1 no hydrogen 2.749 N/A LEU 4.A N ASP 2.A OD2 no hydrogen 3.459 N/A SER 5.A N ASP 2.A O no hydrogen 3.250 N/A VAL 6.A N ASP 2.A O no hydrogen 2.908 N/A GLN 7.A NE2 ASP 11.A OD1 no hydrogen 2.897 N/A GLY 9.A N GLN 7.A OE1 no hydrogen 3.186 N/A ILE 12.A N SER 10.A OG no hydrogen 3.031 N/A ARG 15.A NH1 ASN 65.A O no hydrogen 3.568 N/A ASP 16.A N LEU 67.A O no hydrogen 3.328 N/A TYR 17.A OH ALA 66.A O no hydrogen 2.574 N/A ILE 18.A N ILE 38.A O no hydrogen 2.851 N/A LYS 19.A NZ ALA 60.A O no hydrogen 2.643 N/A ARG 20.A N ILE 36.A O no hydrogen 2.873 N/A ARG 20.A NH1 GLU 136.A OE2 no hydrogen 3.113 N/A VAL 22.A N THR 34.A O no hydrogen 2.746 N/A VAL 24.A N LEU 32.A O no hydrogen 3.106 N/A MET 26.A N VAL 30.A O no hydrogen 2.785 N/A ARG 27.A N ASP 125.A OD2 no hydrogen 2.885 N/A ARG 27.A NE ASP 125.A OD1 no hydrogen 3.437 N/A ARG 27.A NE ASP 125.A OD2 no hydrogen 3.129 N/A ARG 27.A NH2 ASP 125.A OD1 no hydrogen 3.018 N/A GLY 29.A N MET 26.A O no hydrogen 3.074 N/A LYS 31.A N GLN 99.A OE1 no hydrogen 2.958 N/A LEU 32.A N VAL 24.A O no hydrogen 2.977 N/A TYR 33.A N SER 98.A OG no hydrogen 2.988 N/A TYR 33.A OH GLU 21.A OE1 no hydrogen 2.538 N/A THR 34.A N VAL 22.A O no hydrogen 2.755 N/A THR 34.A OG1 LEU 32.A O no hydrogen 3.176 N/A VAL 35.A N PHE 89.A O no hydrogen 2.832 N/A ILE 36.A N ARG 20.A O no hydrogen 2.789 N/A VAL 37.A N ARG 87.A O no hydrogen 2.741 N/A ILE 38.A N ILE 18.A O no hydrogen 2.994 N/A LYS 40.A N ASP 16.A O no hydrogen 3.070 N/A LYS 40.A NZ ARG 15.A O no hydrogen 2.868 N/A ALA 42.A N PRO 39.A O no hydrogen 3.182 N/A ALA 45.A N GLU 136.A O no hydrogen 3.017 N/A ILE 47.A N ARG 140.A O no hydrogen 3.068 N/A LEU 48.A N ILE 86.A O no hydrogen 2.909 N/A LEU 49.A N GLY 142.A O no hydrogen 2.815 N/A THR 50.A N VAL 88.A O no hydrogen 2.886 N/A THR 50.A OG1 THR 144.A O no hydrogen 2.807 N/A ARG 51.A NE GLN 90.A OE1 no hydrogen 2.857 N/A ARG 51.A NH1 GLN 90.A OE1 no hydrogen 3.304 N/A ARG 51.A NH2 GLU 119.A OE2 no hydrogen 2.828 N/A THR 52.A N GLN 90.A O no hydrogen 2.728 N/A THR 52.A OG1 GLU 149.A OE2 no hydrogen 2.671 N/A TYR 54.A N THR 52.A OG1 no hydrogen 2.791 N/A TYR 54.A OH TYR 195.A OH no hydrogen 2.763 N/A ALA 56.A N ASP 91.A OD1 no hydrogen 2.710 N/A LYS 57.A NZ GLU 21.A OE1 no hydrogen 3.421 N/A ARG 59.A N ASN 55.A O no hydrogen 2.939 N/A ARG 59.A NE GLU 149.A OE2 no hydrogen 3.093 N/A ARG 59.A NH2 GLU 149.A OE1 no hydrogen 3.211 N/A ALA 60.A N ALA 56.A O no hydrogen 3.163 N/A ASN 61.A N GLY 58.A O no hydrogen 3.028 N/A ARG 62.A N VAL 72.A O no hydrogen 2.902 N/A ARG 62.A NE GLU 71.A O no hydrogen 3.269 N/A ARG 62.A NH1 ARG 70.A O no hydrogen 3.160 N/A VAL 63.A N GLU 71.A O no hydrogen 3.237 N/A ASN 65.A N ASN 61.A OD1 no hydrogen 3.241 N/A ALA 66.A N VAL 63.A O no hydrogen 3.169 N/A THR 68.A OG1 GLU 71.A OE1 no hydrogen 2.765 N/A MET 69.A N ASP 16.A OD1 no hydrogen 2.748 N/A GLU 71.A N THR 68.A OG1 no hydrogen 3.241 N/A VAL 72.A N THR 68.A O no hydrogen 3.134 N/A LEU 73.A N MET 69.A O no hydrogen 3.069 N/A ASP 77.A N PRO 74.A O no hydrogen 3.110 N/A ASP 78.A N GLN 75.A O no hydrogen 3.194 N/A VAL 79.A N ASP 78.A OD1 no hydrogen 2.722 N/A PHE 80.A N ASP 77.A O no hydrogen 3.036 N/A VAL 81.A N ASP 77.A O no hydrogen 2.999 N/A GLU 82.A N ASP 78.A O no hydrogen 3.131 N/A GLY 83.A N VAL 79.A O no hydrogen 3.144 N/A GLY 84.A N VAL 81.A O no hydrogen 3.260 N/A TYR 85.A N PHE 80.A O no hydrogen 3.005 N/A TYR 85.A OH ASP 345.A OD2 no hydrogen 2.419 N/A ILE 86.A N PRO 46.A O no hydrogen 2.851 N/A ARG 87.A N VAL 37.A O no hydrogen 2.886 N/A ARG 87.A NE ASP 77.A OD2 no hydrogen 2.778 N/A ARG 87.A NH1 LEU 48.A O no hydrogen 3.116 N/A ARG 87.A NH1 THR 50.A OG1 no hydrogen 2.958 N/A ARG 87.A NH2 THR 50.A OG1 no hydrogen 2.843 N/A ARG 87.A NH2 ASP 77.A OD1 no hydrogen 3.470 N/A VAL 88.A N LEU 48.A O no hydrogen 2.875 N/A PHE 89.A N VAL 35.A O no hydrogen 3.070 N/A GLN 90.A N THR 50.A O no hydrogen 2.985 N/A GLN 90.A NE2 THR 34.A OG1 no hydrogen 2.812 N/A GLN 90.A NE2 THR 126.A OG1 no hydrogen 2.954 N/A ASP 91.A N TYR 33.A O no hydrogen 3.016 N/A ILE 92.A N THR 52.A O no hydrogen 2.881 N/A ARG 93.A NE ASP 122.A OD2 no hydrogen 2.934 N/A ARG 93.A NH1 ASP 28.A OD1 no hydrogen 3.036 N/A ARG 93.A NH1 ASP 122.A OD1 no hydrogen 2.944 N/A ARG 93.A NH2 ASP 28.A OD2 no hydrogen 2.951 N/A GLY 94.A N GLN 99.A O no hydrogen 2.965 N/A LYS 95.A N ILE 92.A O no hydrogen 3.139 N/A LYS 95.A NZ GLN 199.A O no hydrogen 2.823 N/A LYS 95.A NZ ALA 202.A O no hydrogen 3.167 N/A LYS 95.A NZ ARG 203.A O no hydrogen 3.035 N/A LYS 95.A NZ GLY 204.A O no hydrogen 3.307 N/A TYR 96.A N ARG 203.A O no hydrogen 3.017 N/A GLY 97.A N ASP 91.A OD2 no hydrogen 3.183 N/A SER 98.A N LYS 95.A O no hydrogen 2.926 N/A SER 98.A OG ASP 91.A O no hydrogen 2.535 N/A SER 98.A OG ILE 92.A O no hydrogen 3.520 N/A GLN 99.A N LYS 31.A O no hydrogen 3.054 N/A TYR 102.A OH TYR 148.A OH no hydrogen 2.950 N/A THR 105.A N TYR 148.A OH no hydrogen 2.890 N/A ARG 106.A NH1 THR 117.A OG1 no hydrogen 3.128 N/A HIS 109.A N ASP 118.A OD2 no hydrogen 2.993 N/A HIS 109.A ND1 THR 115.A O no hydrogen 2.904 N/A GLY 110.A N ASN 113.A O no hydrogen 3.108 N/A ASN 113.A N GLY 110.A O no hydrogen 3.140 N/A ASN 113.A ND2 PRO 107.A O no hydrogen 3.079 N/A ASN 113.A ND2 THR 117.A O no hydrogen 3.006 N/A THR 115.A N ASN 113.A OD1 no hydrogen 3.186 N/A THR 115.A OG1 ASN 113.A OD1 no hydrogen 2.598 N/A THR 115.A OG1 THR 117.A O no hydrogen 2.974 N/A ASP 118.A N THR 121.A OG1 no hydrogen 3.192 N/A THR 120.A OG1 MET 155.A O no hydrogen 2.689 N/A THR 121.A N ASP 118.A OD1 no hydrogen 2.877 N/A THR 121.A OG1 ASP 118.A O no hydrogen 3.227 N/A ASP 122.A N ASP 118.A O no hydrogen 3.064 N/A ALA 123.A N GLU 119.A O no hydrogen 3.032 N/A TRP 124.A N THR 120.A O no hydrogen 3.013 N/A ASP 125.A N THR 121.A O no hydrogen 2.787 N/A THR 126.A N ASP 122.A O no hydrogen 2.972 N/A THR 126.A OG1 GLN 90.A OE1 no hydrogen 2.905 N/A THR 126.A OG1 ASP 122.A O no hydrogen 2.887 N/A VAL 127.A N ALA 123.A O no hydrogen 2.978 N/A ASP 128.A N TRP 124.A O no hydrogen 3.060 N/A TRP 129.A N ASP 125.A O no hydrogen 3.117 N/A LEU 130.A N THR 126.A O no hydrogen 3.049 N/A VAL 131.A N VAL 127.A O no hydrogen 3.124 N/A HIS 132.A N TRP 129.A O no hydrogen 3.274 N/A HIS 132.A ND1 ASP 128.A O no hydrogen 3.056 N/A GLU 136.A N GLU 136.A OE2 no hydrogen 2.796 N/A SER 137.A N VAL 134.A O no hydrogen 2.967 N/A SER 137.A OG VAL 134.A O no hydrogen 2.879 N/A ASN 138.A N ALA 45.A O no hydrogen 2.980 N/A ASN 138.A ND2 LEU 348.A O no hydrogen 2.937 N/A GLY 139.A N SER 137.A OG no hydrogen 3.140 N/A ARG 140.A N ASN 138.A OD1 no hydrogen 3.118 N/A ARG 140.A NE TYR 347.A O no hydrogen 3.274 N/A ARG 140.A NH2 TYR 347.A O no hydrogen 2.904 N/A VAL 141.A N ALA 163.A O no hydrogen 3.056 N/A GLY 142.A N ILE 47.A O no hydrogen 2.893 N/A MET 143.A N VAL 166.A O no hydrogen 3.023 N/A THR 144.A N LEU 49.A O no hydrogen 3.104 N/A THR 144.A OG1 ALA 168.A O no hydrogen 2.983 N/A SER 146.A OG GLU 170.A O no hydrogen 3.486 N/A SER 146.A OG SER 313.A OG no hydrogen 2.864 N/A SER 147.A N GLU 170.A O no hydrogen 3.097 N/A SER 147.A OG HIS 312.A NE2 no hydrogen 3.070 N/A TYR 148.A OH TYR 102.A OH no hydrogen 2.950 N/A GLU 149.A N SER 146.A O no hydrogen 2.917 N/A GLY 150.A N SER 147.A O no hydrogen 2.965 N/A PHE 151.A N SER 147.A O no hydrogen 3.068 N/A THR 152.A N TYR 148.A O no hydrogen 3.153 N/A THR 152.A OG1 ARG 51.A O no hydrogen 2.942 N/A THR 152.A OG1 TYR 148.A O no hydrogen 3.569 N/A THR 152.A OG1 GLU 149.A O no hydrogen 2.725 N/A VAL 153.A N GLY 150.A O no hydrogen 3.076 N/A VAL 154.A N GLY 150.A O no hydrogen 3.029 N/A MET 155.A N PHE 151.A O no hydrogen 2.817 N/A ALA 156.A N THR 152.A O no hydrogen 3.186 N/A LEU 157.A N VAL 153.A O no hydrogen 3.002 N/A LEU 158.A N MET 155.A O no hydrogen 3.236 N/A ASP 159.A N ALA 156.A O no hydrogen 3.184 N/A HIS 161.A NE2 ASP 128.A OD2 no hydrogen 3.129 N/A ALA 163.A N HIS 161.A ND1 no hydrogen 2.981 N/A LEU 164.A N HIS 161.A O no hydrogen 2.888 N/A LYS 165.A N VAL 141.A O no hydrogen 2.829 N/A LYS 165.A NZ PRO 162.A O no hydrogen 3.103 N/A ALA 167.A N PRO 271.A O no hydrogen 3.080 N/A ALA 168.A N MET 143.A O no hydrogen 2.910 N/A GLU 170.A N GLY 145.A O no hydrogen 2.963 N/A SER 171.A N GLU 275.A O no hydrogen 2.730 N/A SER 171.A OG ASP 280.A OD1 no hydrogen 2.530 N/A VAL 174.A N ASP 180.A OD1 no hydrogen 2.922 N/A ASP 175.A N ASP 180.A OD1 no hydrogen 2.926 N/A TRP 177.A N ASP 175.A OD2 no hydrogen 3.168 N/A TRP 177.A NE1 PRO 248.A O no hydrogen 2.829 N/A MET 178.A N ASP 175.A OD2 no hydrogen 3.288 N/A GLY 179.A N ASP 175.A O no hydrogen 3.434 N/A TRP 182.A N GLY 176.A O no hydrogen 3.115 N/A PHE 183.A N GLY 176.A O no hydrogen 2.862 N/A HIS 184.A N ALA 187.A O no hydrogen 2.948 N/A HIS 184.A ND1 ASP 513.A OD2 no hydrogen 2.782 N/A TYR 185.A N MET 178.A O no hydrogen 3.034 N/A TYR 185.A OH THR 540.A O no hydrogen 2.832 N/A ALA 187.A N HIS 184.A O no hydrogen 2.916 N/A ARG 189.A N TRP 182.A O no hydrogen 2.932 N/A ARG 189.A NE ASP 181.A O no hydrogen 3.072 N/A ARG 189.A NH1 TYR 566.A OH no hydrogen 3.051 N/A ARG 189.A NH2 GLN 281.A O no hydrogen 2.885 N/A GLN 190.A N LEU 565.A O no hydrogen 2.732 N/A GLN 190.A NE2 PRO 564.A O no hydrogen 2.831 N/A ALA 192.A N ARG 189.A O no hydrogen 3.354 N/A TYR 195.A N GLY 191.A O no hydrogen 3.501 N/A TYR 195.A OH TYR 54.A OH no hydrogen 2.763 N/A PHE 196.A N ALA 192.A O no hydrogen 2.942 N/A VAL 197.A N PHE 193.A O no hydrogen 3.163 N/A SER 198.A N ASP 194.A O no hydrogen 2.911 N/A GLN 199.A N TYR 195.A O no hydrogen 3.033 N/A GLN 199.A NE2 PRO 53.A O no hydrogen 3.165 N/A MET 200.A N PHE 196.A O no hydrogen 2.788 N/A THR 201.A OG1 VAL 197.A O no hydrogen 2.454 N/A THR 201.A OG1 TYR 238.A OH no hydrogen 2.553 N/A ARG 203.A NH1 SER 98.A O no hydrogen 2.976 N/A ARG 203.A NH1 GLY 100.A O no hydrogen 3.063 N/A ARG 203.A NH2 GLY 100.A O no hydrogen 3.435 N/A ILE 209.A N ASP 194.A OD2 no hydrogen 3.483 N/A ARG 211.A NE ASP 216.A OD2 no hydrogen 2.787 N/A ARG 211.A NH1 ASP 194.A OD2 no hydrogen 2.865 N/A ARG 211.A NH1 ILE 209.A O no hydrogen 2.936 N/A ARG 211.A NH2 ASP 194.A OD1 no hydrogen 2.986 N/A ARG 211.A NH2 ASP 216.A OD1 no hydrogen 2.983 N/A ARG 211.A NH2 ASP 216.A OD2 no hydrogen 3.443 N/A ASP 213.A N ASN 219.A OD1 no hydrogen 2.722 N/A ASP 215.A N ASP 213.A OD1 no hydrogen 2.997 N/A ASP 216.A N PHE 427.A O no hydrogen 2.627 N/A TYR 217.A N ASP 215.A OD2 no hydrogen 2.905 N/A TYR 217.A OH PRO 419.A O no hydrogen 2.636 N/A ASN 219.A N ASP 215.A O no hydrogen 3.065 N/A ASN 219.A ND2 ASP 213.A O no hydrogen 2.766 N/A ASN 219.A ND2 ASP 216.A OD2 no hydrogen 2.988 N/A PHE 220.A N ASP 216.A O no hydrogen 3.003 N/A LEU 221.A N TYR 217.A O no hydrogen 3.090 N/A LYS 222.A N THR 218.A O no hydrogen 2.908 N/A ALA 223.A N ASN 219.A O no hydrogen 3.174 N/A GLY 224.A N PHE 220.A O no hydrogen 3.124 N/A SER 225.A OG PHE 578.A O no hydrogen 3.162 N/A SER 225.A OG ALA 580.A O no hydrogen 3.428 N/A GLY 227.A N PHE 578.A O no hydrogen 3.032 N/A SER 228.A N SER 225.A OG no hydrogen 3.177 N/A SER 228.A OG ALA 223.A O no hydrogen 2.804 N/A PHE 229.A N SER 225.A O no hydrogen 3.234 N/A ALA 230.A N ALA 226.A O no hydrogen 2.960 N/A THR 231.A N GLY 227.A O no hydrogen 2.862 N/A THR 231.A OG1 GLY 227.A O no hydrogen 2.979 N/A THR 231.A OG1 ASP 236.A OD2 no hydrogen 2.755 N/A GLN 232.A N SER 228.A O no hydrogen 3.026 N/A ALA 233.A N PHE 229.A O no hydrogen 2.989 N/A ALA 233.A N ALA 230.A O no hydrogen 3.030 N/A GLY 234.A N THR 231.A O no hydrogen 3.022 N/A LEU 235.A N ALA 230.A O no hydrogen 3.026 N/A TYR 238.A N LEU 235.A O no hydrogen 2.958 N/A TYR 238.A OH THR 201.A OG1 no hydrogen 2.553 N/A GLN 242.A N TYR 238.A O no hydrogen 3.164 N/A GLN 242.A NE2 ASP 236.A O no hydrogen 2.996 N/A ARG 243.A N PRO 239.A O no hydrogen 3.125 N/A MET 244.A N PHE 240.A O no hydrogen 3.076 N/A HIS 245.A N TRP 241.A O no hydrogen 2.888 N/A HIS 245.A NE2 ASP 579.A OD1 no hydrogen 2.778 N/A ALA 246.A N GLN 242.A O no hydrogen 3.250 N/A ALA 246.A N ARG 243.A O no hydrogen 3.143 N/A HIS 247.A N MET 244.A O no hydrogen 3.041 N/A HIS 247.A ND1 ASP 251.A OD1 no hydrogen 2.572 N/A TYR 250.A N PHE 523.A O no hydrogen 3.004 N/A TYR 250.A OH ASP 175.A OD1 no hydrogen 2.589 N/A ASP 251.A N ALA 249.A O no hydrogen 2.849 N/A TRP 254.A NE1 HIS 247.A O no hydrogen 2.740 N/A GLN 255.A N ASP 251.A O no hydrogen 2.959 N/A GLN 255.A NE2 TYR 250.A O no hydrogen 2.911 N/A GLY 256.A N ALA 252.A O no hydrogen 2.842 N/A GLN 257.A N TRP 254.A O no hydrogen 2.945 N/A GLN 257.A NE2 PHE 253.A O no hydrogen 2.963 N/A ALA 258.A N GLN 255.A O no hydrogen 3.258 N/A LEU 259.A N VAL 174.A O no hydrogen 3.070 N/A ILE 262.A N ALA 258.A O no hydrogen 3.352 N/A LEU 263.A N LEU 259.A O no hydrogen 2.801 N/A ALA 264.A N ASP 260.A O no hydrogen 3.319 N/A GLN 265.A N LYS 261.A O no hydrogen 3.310 N/A GLN 265.A N ILE 262.A O no hydrogen 3.153 N/A ARG 266.A N ILE 262.A O no hydrogen 3.256 N/A ARG 266.A N LEU 263.A O no hydrogen 3.022 N/A LYS 267.A N LEU 263.A O no hydrogen 2.917 N/A MET 272.A N PRO 302.A O no hydrogen 2.802 N/A LEU 273.A N ALA 167.A O no hydrogen 3.053 N/A TRP 274.A N THR 304.A O no hydrogen 2.774 N/A GLU 275.A N PRO 169.A O no hydrogen 3.036 N/A GLN 276.A N VAL 306.A O no hydrogen 3.093 N/A GLN 276.A NE2 MET 284.A O no hydrogen 2.859 N/A GLY 277.A N ASP 280.A OD1 no hydrogen 3.334 N/A LEU 278.A N GLY 308.A O no hydrogen 2.897 N/A TRP 279.A N TRP 310.A O no hydrogen 3.146 N/A TRP 279.A NE1 PRO 509.A O no hydrogen 3.048 N/A ASP 280.A N GLY 277.A O no hydrogen 3.196 N/A GLU 282.A N ASP 280.A OD2 no hydrogen 3.459 N/A ASP 283.A N ASP 280.A OD2 no hydrogen 3.140 N/A TRP 285.A N ASP 180.A OD2 no hydrogen 3.251 N/A GLY 286.A N ASP 180.A OD2 no hydrogen 2.973 N/A ILE 288.A N GLN 276.A OE1 no hydrogen 3.145 N/A HIS 289.A N TRP 285.A O no hydrogen 3.144 N/A HIS 289.A ND1 TRP 285.A O no hydrogen 2.922 N/A ALA 290.A N GLY 286.A O no hydrogen 2.935 N/A TRP 291.A N ALA 287.A O no hydrogen 2.906 N/A TRP 291.A NE1 ASN 303.A O no hydrogen 3.163 N/A GLN 292.A N ILE 288.A O no hydrogen 2.933 N/A GLN 292.A NE2 GLN 292.A O no hydrogen 3.456 N/A GLN 292.A NE2 ASP 296.A OD1 no hydrogen 2.846 N/A GLN 292.A NE2 ASP 296.A OD2 no hydrogen 3.516 N/A ALA 293.A N HIS 289.A O no hydrogen 3.067 N/A LEU 294.A N ALA 290.A O no hydrogen 3.135 N/A LYS 295.A N TRP 291.A O no hydrogen 2.979 N/A LYS 295.A NZ ASP 359.A OD2 no hydrogen 3.413 N/A LYS 295.A NZ TRP 376.A O no hydrogen 2.630 N/A ASP 296.A N GLN 292.A O no hydrogen 2.919 N/A ALA 297.A N ALA 293.A O no hydrogen 3.096 N/A ASP 298.A N LYS 295.A O no hydrogen 2.983 N/A VAL 299.A N LEU 294.A O no hydrogen 2.934 N/A LYS 300.A NZ ASP 298.A O no hydrogen 2.591 N/A LYS 300.A NZ ASP 298.A OD1 no hydrogen 3.104 N/A ASN 303.A ND2 TRP 291.A O no hydrogen 3.309 N/A THR 304.A N MET 272.A O no hydrogen 3.152 N/A THR 304.A OG1 PRO 358.A O no hydrogen 2.749 N/A LEU 305.A N ASP 359.A O no hydrogen 2.999 N/A VAL 306.A N TRP 274.A O no hydrogen 2.707 N/A MET 307.A N ILE 361.A O no hydrogen 3.118 N/A TRP 310.A NE1 THR 331.A OG1 no hydrogen 2.882 N/A ARG 311.A NH1 HIS 312.A O no hydrogen 3.203 N/A HIS 312.A ND1 ASP 280.A OD2 no hydrogen 2.790 N/A SER 313.A OG SER 146.A OG no hydrogen 2.864 N/A GLY 314.A N ARG 311.A O no hydrogen 2.800 N/A ASN 316.A N SER 313.A O no hydrogen 3.026 N/A ASN 316.A ND2 GLU 170.A OE1 no hydrogen 2.933 N/A TYR 317.A N GLY 314.A O no hydrogen 3.097 N/A GLY 319.A N ASP 330.A OD1 no hydrogen 2.769 N/A SER 320.A N ASN 318.A OD1 no hydrogen 2.729 N/A SER 320.A OG ASN 318.A OD1 no hydrogen 2.810 N/A LEU 322.A N LEU 325.A O no hydrogen 3.184 N/A LEU 325.A N LEU 322.A O no hydrogen 2.959 N/A PHE 327.A N SER 320.A O no hydrogen 2.880 N/A GLU 328.A N TYR 363.A OH no hydrogen 3.120 N/A GLY 329.A N PHE 327.A O no hydrogen 3.025 N/A THR 331.A N GLY 319.A O no hydrogen 3.462 N/A THR 331.A OG1 GLY 319.A O no hydrogen 2.789 N/A HIS 333.A N ASP 330.A OD1 no hydrogen 3.122 N/A GLN 334.A N ASP 330.A O no hydrogen 2.986 N/A GLN 334.A NE2 GLU 328.A O no hydrogen 2.909 N/A TYR 335.A N THR 331.A O no hydrogen 3.101 N/A ARG 336.A N ALA 332.A O no hydrogen 2.977 N/A ARG 336.A NE ASP 78.A OD1 no hydrogen 3.007 N/A ARG 336.A NH1 VAL 315.A O no hydrogen 2.853 N/A ARG 336.A NH1 TYR 317.A O no hydrogen 3.133 N/A ARG 336.A NH2 ASP 78.A OD2 no hydrogen 3.027 N/A ARG 337.A N HIS 333.A O no hydrogen 2.857 N/A ARG 337.A NE ASP 338.A OD2 no hydrogen 2.965 N/A ARG 337.A NH2 ASP 338.A OD1 no hydrogen 3.358 N/A ASP 338.A N GLN 334.A O no hydrogen 2.854 N/A VAL 339.A N TYR 335.A O no hydrogen 2.913 N/A PHE 340.A N TYR 335.A O no hydrogen 3.030 N/A ARG 341.A N ARG 336.A O no hydrogen 3.022 N/A ARG 341.A NE ASP 345.A OD1 no hydrogen 2.911 N/A ARG 341.A NE ASP 345.A OD2 no hydrogen 3.126 N/A PHE 343.A N VAL 339.A O no hydrogen 3.133 N/A PHE 344.A N PHE 340.A O no hydrogen 3.023 N/A ASP 345.A N ARG 341.A O no hydrogen 2.845 N/A GLU 346.A N PRO 342.A O no hydrogen 2.985 N/A LEU 348.A N PHE 344.A O no hydrogen 2.943 N/A LYS 349.A N ASP 345.A O no hydrogen 2.923 N/A LYS 349.A NZ GLY 83.A O no hydrogen 2.535 N/A SER 352.A N LYS 349.A O no hydrogen 3.003 N/A SER 352.A OG ASP 345.A O no hydrogen 3.232 N/A SER 352.A OG LYS 349.A O no hydrogen 2.640 N/A SER 354.A OG GLU 346.A OE2 no hydrogen 3.479 N/A VAL 355.A N GLU 346.A OE1 no hydrogen 3.148 N/A ASP 359.A N ARG 374.A O no hydrogen 3.191 N/A ALA 360.A N TYR 373.A O no hydrogen 3.216 N/A ILE 361.A N LEU 305.A O no hydrogen 2.896 N/A ILE 362.A N ASP 371.A O no hydrogen 2.959 N/A TYR 363.A N MET 307.A O no hydrogen 2.914 N/A TYR 363.A OH GLN 368.A OE1 no hydrogen 2.421 N/A ASN 364.A N LYS 369.A O no hydrogen 2.677 N/A ASN 364.A ND2 ASP 371.A OD2 no hydrogen 2.885 N/A THR 365.A N ASN 545.A O no hydrogen 2.988 N/A THR 365.A OG1 ASN 545.A O no hydrogen 3.159 N/A THR 365.A OG1 HIS 546.A ND1 no hydrogen 2.633 N/A GLY 366.A N ASN 364.A OD1 no hydrogen 2.914 N/A ASP 367.A N ASN 364.A OD1 no hydrogen 2.956 N/A GLN 368.A N ASN 364.A O no hydrogen 2.855 N/A TRP 370.A NE1 GLN 334.A OE1 no hydrogen 3.049 N/A ASP 371.A N ILE 362.A O no hydrogen 2.965 N/A TYR 373.A N ALA 360.A O no hydrogen 2.809 N/A TYR 373.A OH ASN 545.A OD1 no hydrogen 2.848 N/A TRP 376.A N ASP 359.A OD2 no hydrogen 3.314 N/A TRP 376.A NE1 SER 467.A OG no hydrogen 3.049 N/A CYS 380.A N GLY 386.A O no hydrogen 3.153 N/A CYS 380.A SG SER 382.A O no hydrogen 3.053 N/A CYS 384.A SG PRO 377.A O no hydrogen 3.397 N/A CYS 384.A SG ASN 383.A O no hydrogen 3.790 N/A THR 389.A N LEU 604.A O no hydrogen 2.746 N/A LEU 391.A N ILE 602.A O no hydrogen 2.997 N/A TYR 392.A N SER 400.A O no hydrogen 2.849 N/A LEU 393.A N THR 600.A O no hydrogen 2.939 N/A ALA 394.A N GLY 398.A O no hydrogen 2.844 N/A GLY 398.A N ALA 394.A O no hydrogen 3.359 N/A SER 400.A N TYR 392.A O no hydrogen 2.897 N/A THR 402.A N SER 400.A OG no hydrogen 3.253 N/A HIS 403.A ND1 TYR 392.A OH no hydrogen 3.156 N/A HIS 403.A NE2 GLY 596.A O no hydrogen 2.793 N/A ASP 410.A N ILE 592.A O no hydrogen 3.127 N/A SER 411.A OG SER 591.A OG no hydrogen 3.158 N/A TYR 412.A N GLN 590.A O no hydrogen 2.875 N/A TYR 412.A OH SER 560.A OG no hydrogen 2.701 N/A SER 414.A N ALA 588.A O no hydrogen 2.866 N/A SER 414.A OG GLN 571.A OE1 no hydrogen 2.817 N/A ALA 417.A N ASP 415.A OD2 no hydrogen 2.828 N/A HIS 418.A N ASP 415.A O no hydrogen 3.032 N/A HIS 418.A ND1 ASP 415.A OD1 no hydrogen 3.249 N/A VAL 420.A N SER 561.A OG no hydrogen 2.806 N/A PHE 422.A N PHE 563.A O no hydrogen 2.995 N/A SER 424.A OG GLU 445.A OE1 no hydrogen 2.760 N/A ARG 425.A NE ASP 215.A OD1 no hydrogen 2.896 N/A ARG 425.A NH1 ASP 215.A OD1 no hydrogen 3.008 N/A PHE 427.A N ASP 215.A OD2 no hydrogen 3.012 N/A ALA 428.A N GLN 431.A OE1 no hydrogen 2.853 N/A PHE 429.A N ASP 216.A OD1 no hydrogen 2.842 N/A GLN 431.A N ALA 428.A O no hydrogen 2.956 N/A SER 432.A N ALA 430.A O no hydrogen 2.958 N/A ARG 434.A N GLN 431.A O no hydrogen 3.127 N/A ARG 434.A NH1 SER 424.A O no hydrogen 3.108 N/A ARG 434.A NH2 SER 424.A O no hydrogen 3.132 N/A TRP 435.A N GLN 431.A O no hydrogen 3.108 N/A TRP 435.A NE1 GLU 282.A OE1 no hydrogen 2.818 N/A LYS 436.A N SER 432.A O no hydrogen 3.023 N/A TRP 438.A N TRP 435.A O no hydrogen 3.355 N/A VAL 440.A N PRO 437.A O no hydrogen 3.348 N/A GLN 441.A N TRP 438.A O no hydrogen 3.373 N/A GLN 441.A NE2 PRO 437.A O no hydrogen 2.722 N/A GLN 443.A N GLU 507.A O no hydrogen 3.014 N/A GLN 443.A NE2 GLN 441.A O no hydrogen 2.734 N/A ARG 444.A N ASP 442.A OD2 no hydrogen 3.167 N/A ARG 444.A NE ASP 442.A OD1 no hydrogen 2.957 N/A ARG 444.A NH1 GLY 504.A O no hydrogen 2.987 N/A ARG 444.A NH2 ASP 442.A OD1 no hydrogen 2.975 N/A ARG 444.A NH2 GLY 504.A O no hydrogen 3.496 N/A GLU 447.A N GLN 443.A O no hydrogen 3.128 N/A SER 448.A N ARG 444.A O no hydrogen 3.230 N/A SER 448.A N GLU 445.A O no hydrogen 3.180 N/A SER 448.A OG GLU 445.A O no hydrogen 2.601 N/A ARG 449.A N ALA 446.A O no hydrogen 3.098 N/A ARG 449.A NE ASP 451.A OD2 no hydrogen 2.835 N/A ARG 449.A NH2 ASP 451.A OD1 no hydrogen 2.871 N/A ARG 449.A NH2 ASP 451.A OD2 no hydrogen 3.498 N/A VAL 453.A N ILE 558.A O no hydrogen 2.964 N/A TYR 455.A N VAL 556.A O no hydrogen 2.862 N/A TYR 455.A OH ASP 410.A OD1 no hydrogen 3.026 N/A GLU 456.A N HIS 397.A O no hydrogen 3.069 N/A THR 457.A N ILE 554.A O no hydrogen 2.999 N/A THR 457.A OG1 GLU 458.A O no hydrogen 2.852 N/A LEU 460.A N HIS 552.A O no hydrogen 2.884 N/A VAL 464.A N PHE 548.A O no hydrogen 3.007 N/A ARG 465.A NH1 ASP 367.A OD2 no hydrogen 2.996 N/A ARG 465.A NH2 ASP 367.A OD2 no hydrogen 3.194 N/A VAL 466.A N HIS 546.A O no hydrogen 2.829 N/A SER 467.A N PRO 605.A O no hydrogen 2.983 N/A SER 467.A OG ASN 545.A OD1 no hydrogen 2.814 N/A GLY 468.A N VAL 544.A O no hydrogen 2.913 N/A VAL 471.A N LEU 603.A O no hydrogen 2.981 N/A ALA 472.A N PHE 539.A O no hydrogen 2.844 N/A ASP 473.A N SER 601.A O no hydrogen 2.914 N/A LEU 474.A N TYR 537.A O no hydrogen 2.897 N/A PHE 475.A N THR 600.A OG1 no hydrogen 2.916 N/A ALA 476.A N LEU 535.A O no hydrogen 2.983 N/A ALA 477.A N SER 591.A O no hydrogen 2.843 N/A THR 478.A OG1 SER 483.A OG no hydrogen 3.152 N/A THR 478.A OG1 GLN 590.A OE1 no hydrogen 2.459 N/A SER 479.A N THR 589.A O no hydrogen 3.072 N/A GLY 480.A N THR 478.A OG1 no hydrogen 3.338 N/A THR 481.A N GLN 571.A O no hydrogen 3.268 N/A SER 483.A N ASP 482.A OD1 no hydrogen 2.780 N/A SER 483.A OG THR 478.A OG1 no hydrogen 3.152 N/A SER 483.A OG ASP 482.A O no hydrogen 2.543 N/A TRP 485.A N PHE 515.A O no hydrogen 2.971 N/A VAL 486.A N GLN 559.A O no hydrogen 2.820 N/A VAL 487.A N ASP 513.A O no hydrogen 2.933 N/A LYS 488.A N GLN 557.A O no hydrogen 2.895 N/A LYS 488.A NZ GLN 443.A OE1 no hydrogen 2.833 N/A LYS 488.A NZ GLN 557.A OE1 no hydrogen 2.863 N/A LYS 488.A NZ GLN 559.A OE1 no hydrogen 2.949 N/A LEU 489.A N SER 511.A O no hydrogen 2.780 N/A ILE 490.A N MET 555.A O no hydrogen 2.775 N/A ASP 491.A N LEU 508.A O no hydrogen 2.897 N/A VAL 492.A N ARG 553.A O no hydrogen 2.850 N/A GLN 493.A N TYR 506.A O no hydrogen 2.970 N/A GLN 493.A NE2 ASP 491.A O no hydrogen 2.972 N/A THR 497.A OG1 THR 497.A O no hydrogen 2.610 N/A THR 497.A OG1 ASP 500.A O no hydrogen 2.828 N/A ASP 500.A N THR 497.A O no hydrogen 2.949 N/A LYS 502.A NZ ASP 500.A OD1 no hydrogen 2.753 N/A LYS 502.A NZ ASP 500.A OD2 no hydrogen 2.974 N/A MET 503.A N ASP 500.A O no hydrogen 2.959 N/A GLY 504.A N PRO 501.A O no hydrogen 3.203 N/A GLY 505.A N PRO 494.A O no hydrogen 2.876 N/A TYR 506.A N MET 503.A O no hydrogen 3.041 N/A TYR 506.A OH VAL 440.A O no hydrogen 2.710 N/A GLU 507.A N ASP 442.A OD2 no hydrogen 2.977 N/A LEU 508.A N ASP 491.A O no hydrogen 3.252 N/A VAL 510.A N LEU 489.A O no hydrogen 3.044 N/A SER 511.A N LEU 489.A O no hydrogen 3.363 N/A SER 511.A OG PRO 542.A O no hydrogen 2.663 N/A ASP 513.A N VAL 487.A O no hydrogen 3.141 N/A ILE 514.A N ASP 513.A OD2 no hydrogen 2.864 N/A PHE 515.A N TRP 485.A O no hydrogen 2.862 N/A ARG 516.A N TYR 185.A O no hydrogen 3.222 N/A ARG 516.A NE ASP 484.A OD1 no hydrogen 3.030 N/A ARG 516.A NH1 ASP 484.A OD2 no hydrogen 3.045 N/A ARG 516.A NH1 ASP 567.A O no hydrogen 3.019 N/A ARG 516.A NH1 ASP 567.A OD2 no hydrogen 2.966 N/A ARG 516.A NH2 ASP 567.A OD2 no hydrogen 2.975 N/A GLY 517.A N SER 483.A O no hydrogen 2.604 N/A ARG 518.A NH1 VAL 574.A O no hydrogen 2.967 N/A ARG 518.A NH2 ASP 482.A OD2 no hydrogen 2.965 N/A ARG 518.A NH2 VAL 574.A O no hydrogen 3.041 N/A TYR 519.A N ARG 516.A O no hydrogen 3.001 N/A ARG 520.A N GLY 517.A O no hydrogen 3.056 N/A ARG 520.A NH1 HIS 536.A O no hydrogen 2.915 N/A ALA 524.A N ASP 522.A OD2 no hydrogen 3.163 N/A LYS 525.A N ASP 522.A O no hydrogen 3.367 N/A GLU 527.A N ARG 518.A O no hydrogen 3.035 N/A LEU 529.A N THR 481.A O no hydrogen 2.870 N/A ASP 532.A N THR 478.A O no hydrogen 2.851 N/A ALA 533.A N GLN 530.A O no hydrogen 3.131 N/A LEU 535.A N ALA 476.A O no hydrogen 2.953 N/A HIS 536.A NE2 ASP 473.A OD1 no hydrogen 2.779 N/A TYR 537.A N LEU 474.A O no hydrogen 2.764 N/A HIS 538.A ND1 ASP 473.A OD1 no hydrogen 2.865 N/A HIS 538.A NE2 GLU 381.A OE1 no hydrogen 2.872 N/A PHE 539.A N ALA 472.A O no hydrogen 3.220 N/A LEU 541.A N PRO 470.A O no hydrogen 3.019 N/A VAL 544.A N GLY 468.A O no hydrogen 2.930 N/A ASN 545.A ND2 TYR 363.A O no hydrogen 3.125 N/A ASN 545.A ND2 ASP 371.A OD2 no hydrogen 3.020 N/A HIS 546.A N VAL 466.A O no hydrogen 2.900 N/A HIS 546.A ND1 THR 365.A OG1 no hydrogen 2.633 N/A HIS 546.A NE2 ASP 491.A OD1 no hydrogen 2.517 N/A PHE 548.A N VAL 464.A O no hydrogen 2.989 N/A GLY 551.A N LEU 460.A O no hydrogen 2.997 N/A HIS 552.A N ALA 549.A O no hydrogen 3.248 N/A HIS 552.A ND1 ASP 491.A OD2 no hydrogen 2.644 N/A ARG 553.A N VAL 492.A O no hydrogen 3.002 N/A ARG 553.A NH2 THR 457.A O no hydrogen 3.028 N/A ILE 554.A N THR 457.A OG1 no hydrogen 3.121 N/A MET 555.A N ILE 490.A O no hydrogen 2.846 N/A VAL 556.A N TYR 455.A O no hydrogen 3.001 N/A GLN 557.A N LYS 488.A O no hydrogen 3.065 N/A GLN 557.A NE2 GLN 443.A O no hydrogen 3.376 N/A ILE 558.A N VAL 453.A O no hydrogen 2.955 N/A GLN 559.A N VAL 486.A O no hydrogen 3.087 N/A GLN 559.A NE2 SER 561.A O no hydrogen 2.762 N/A SER 560.A OG TYR 412.A OH no hydrogen 2.701 N/A SER 560.A OG ASP 484.A O no hydrogen 2.942 N/A PHE 563.A N VAL 420.A O no hydrogen 2.862 N/A TYR 566.A N TRP 562.A O no hydrogen 3.053 N/A ASP 567.A N PHE 188.A O no hydrogen 3.048 N/A ARG 568.A NH1 GLY 224.A O no hydrogen 3.010 N/A ARG 568.A NH2 PRO 416.A O no hydrogen 2.887 N/A ASN 569.A ND2 ASP 482.A OD1 no hydrogen 3.075 N/A ASN 569.A ND2 ASP 484.A OD1 no hydrogen 2.854 N/A GLN 571.A N ASN 569.A OD1 no hydrogen 2.897 N/A GLN 571.A NE2 SER 414.A O no hydrogen 2.933 N/A GLN 571.A NE2 THR 586.A O no hydrogen 2.894 N/A LYS 572.A NZ ASP 584.A OD2 no hydrogen 3.102 N/A PHE 573.A N THR 481.A OG1 no hydrogen 3.029 N/A ASN 576.A ND2 HIS 245.A O no hydrogen 3.074 N/A PHE 578.A N ASN 576.A OD1 no hydrogen 2.920 N/A ASP 579.A N ASN 576.A O no hydrogen 2.988 N/A ALA 580.A N ILE 577.A O no hydrogen 3.255 N/A LYS 581.A N ASP 584.A OD1 no hydrogen 2.987 N/A ASP 584.A N LYS 581.A O no hydrogen 2.908 N/A TYR 585.A N PRO 582.A O no hydrogen 3.278 N/A THR 586.A N PRO 570.A O no hydrogen 2.917 N/A THR 586.A OG1 ASP 584.A O no hydrogen 3.034 N/A ALA 588.A N SER 414.A O no hydrogen 3.265 N/A THR 589.A N SER 479.A OG no hydrogen 2.854 N/A GLN 590.A N TYR 412.A O no hydrogen 2.711 N/A GLN 590.A NE2 SER 483.A OG no hydrogen 3.040 N/A GLN 590.A NE2 SER 560.A OG no hydrogen 3.155 N/A SER 591.A N ALA 477.A O no hydrogen 2.773 N/A SER 591.A OG SER 411.A OG no hydrogen 3.158 N/A ILE 592.A N ASP 410.A O no hydrogen 2.912 N/A HIS 593.A N PHE 475.A O no hydrogen 2.957 N/A HIS 593.A NE2 ASP 407.A OD1 no hydrogen 2.949 N/A HIS 594.A N GLY 408.A O no hydrogen 2.996 N/A GLY 596.A N PRO 404.A O no hydrogen 3.034 N/A THR 600.A OG1 PHE 475.A O no hydrogen 3.308 N/A THR 600.A OG1 HIS 593.A O no hydrogen 2.689 N/A SER 601.A N ASP 473.A O no hydrogen 2.993 N/A ILE 602.A N LEU 391.A O no hydrogen 3.118 N/A LEU 603.A N VAL 471.A O no hydrogen 2.755 N/A LEU 604.A N THR 389.A O no hydrogen 3.086 N/A VAL 607.A N ARG 465.A O no hydrogen 3.037 N/A