Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w1g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG THR 1.A O no hydrogen 2.299 N/A THR 4.A OG1 GLN 133.A OE1 no hydrogen 2.975 N/A VAL 5.A N ASP 57.A OD2 no hydrogen 2.767 N/A SER 7.A N THR 4.A O no hydrogen 3.359 N/A SER 7.A OG THR 4.A O no hydrogen 2.771 N/A SER 7.A OG HIS 8.A ND1 no hydrogen 3.210 N/A HIS 8.A N VAL 5.A O no hydrogen 2.930 N/A HIS 8.A ND1 THR 4.A O no hydrogen 3.216 N/A PHE 11.A N LEU 130.A O no hydrogen 2.778 N/A ASP 13.A N PRO 10.A O no hydrogen 2.962 N/A CYS 15.A N PHE 11.A O no hydrogen 2.844 N/A CYS 15.A SG PHE 11.A O no hydrogen 3.481 N/A SER 16.A N ALA 12.A O no hydrogen 2.922 N/A SER 16.A OG ASP 13.A O no hydrogen 3.239 N/A THR 17.A N ASP 13.A O no hydrogen 3.353 N/A THR 17.A OG1 ASP 13.A O no hydrogen 2.816 N/A LEU 18.A N LEU 14.A O no hydrogen 3.030 N/A GLU 19.A N CYS 15.A O no hydrogen 2.903 N/A ARG 20.A N SER 16.A O no hydrogen 2.923 N/A ARG 20.A NH2.B THR 17.A OG1 no hydrogen 3.399 N/A ILE 21.A N THR 17.A O no hydrogen 2.952 N/A GLN 22.A N LEU 18.A O no hydrogen 2.762 N/A LYS 23.A N GLU 19.A O no hydrogen 2.809 N/A SER 24.A N ILE 21.A O no hydrogen 3.108 N/A SER 24.A OG ARG 20.A O no hydrogen 3.058 N/A SER 24.A OG HIS 33.A NE2 no hydrogen 3.085 N/A ARG 27.A NH1 THR 189.A OG1 no hydrogen 2.917 N/A LYS 30.A N GLY 26.A O no hydrogen 3.065 N/A LYS 30.A NZ ILE 21.A O no hydrogen 2.999 N/A LYS 30.A NZ SER 24.A O no hydrogen 2.636 N/A LYS 30.A NZ LEU 183.A O no hydrogen 3.177 N/A ILE 31.A N ARG 27.A O no hydrogen 2.837 N/A ARG 32.A N ALA 28.A O no hydrogen 2.879 N/A HIS 33.A N GLU 29.A O no hydrogen 3.081 N/A PHE 34.A N LYS 30.A O no hydrogen 3.315 N/A ARG 35.A N ILE 31.A O no hydrogen 2.878 N/A GLU 36.A N ARG 32.A O no hydrogen 3.029 N/A PHE 37.A N HIS 33.A O no hydrogen 3.375 N/A LEU 38.A N PHE 34.A O no hydrogen 2.924 N/A ASP 39.A N ARG 35.A O no hydrogen 2.769 N/A SER 40.A N GLU 36.A O no hydrogen 3.229 N/A SER 40.A OG GLU 36.A O no hydrogen 3.122 N/A TRP 41.A N PHE 37.A O no hydrogen 3.052 N/A ARG 42.A N LEU 38.A O no hydrogen 2.884 N/A ARG 42.A NE HIS 216.A O no hydrogen 3.220 N/A ARG 42.A NH1 PHE 194.A O no hydrogen 3.550 N/A ARG 42.A NH2 PHE 194.A O no hydrogen 2.648 N/A LYS 43.A N ASP 39.A O no hydrogen 2.933 N/A PHE 44.A N SER 40.A O no hydrogen 2.782 N/A HIS 45.A N TRP 41.A O no hydrogen 2.789 N/A ASP 46.A N ARG 42.A O no hydrogen 3.087 N/A ALA 47.A N LYS 43.A O no hydrogen 3.156 N/A LEU 48.A N PHE 44.A O no hydrogen 2.701 N/A HIS 49.A N HIS 45.A O no hydrogen 2.932 N/A HIS 49.A ND1 HIS 52.A ND1 no hydrogen 3.112 N/A HIS 49.A NE2 ASP 57.A OD2 no hydrogen 3.029 N/A TYR 60.A N SER 58.A OG no hydrogen 3.061 N/A TYR 60.A OH GLU 73.A OE1 no hydrogen 2.607 N/A ALA 62.A N PHE 59.A O no hydrogen 2.804 N/A MET 63.A N PHE 59.A O no hydrogen 2.853 N/A ARG 64.A N TYR 60.A O no hydrogen 2.878 N/A ARG 64.A NE GLU 71.A OE1 no hydrogen 2.561 N/A ARG 64.A NH2 GLU 71.A OE1 no hydrogen 3.125 N/A ARG 64.A NH2 GLU 71.A OE2 no hydrogen 2.843 N/A LEU 65.A N ALA 62.A O no hydrogen 2.876 N/A ILE 66.A N ALA 62.A O no hydrogen 3.027 N/A ILE 66.A N MET 63.A O no hydrogen 3.237 N/A LEU 67.A N MET 63.A O no hydrogen 2.891 N/A GLN 69.A N GLN 69.A OE1 no hydrogen 3.017 N/A GLN 69.A NE2 GLN 187.A OE1 no hydrogen 2.685 N/A LEU 70.A N LEU 67.A O no hydrogen 3.085 N/A GLU 71.A N PRO 68.A O no hydrogen 3.260 N/A ARG 72.A NE ASN 281.A O no hydrogen 2.992 N/A ARG 72.A NH1 GLN 69.A O no hydrogen 3.104 N/A ARG 72.A NH1 GLU 71.A O no hydrogen 2.775 N/A ARG 72.A NH2 ASN 281.A O no hydrogen 2.902 N/A ARG 74.A N GLU 71.A OE2 no hydrogen 2.913 N/A ARG 74.A NE TYR 77.A OH no hydrogen 3.095 N/A ARG 74.A NH1 ASN 136.A OD1 no hydrogen 3.042 N/A ARG 74.A NH1 ASP 140.A OD1 no hydrogen 2.841 N/A ARG 74.A NH2 ASN 136.A OD1 no hydrogen 3.181 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.744 N/A LEU 84.A N LYS 80.A O no hydrogen 3.085 N/A ALA 85.A N GLU 81.A O no hydrogen 3.034 N/A LYS 86.A N THR 82.A O no hydrogen 3.178 N/A LEU 87.A N MET 83.A O no hydrogen 3.170 N/A TYR 88.A N LEU 84.A O no hydrogen 2.752 N/A TYR 88.A OH GLN 170.A OE1 no hydrogen 2.741 N/A ILE 89.A N ALA 85.A O no hydrogen 2.738 N/A GLU 90.A N LYS 86.A O no hydrogen 2.946 N/A LEU 91.A N LEU 87.A O no hydrogen 2.832 N/A LEU 92.A N TYR 88.A O no hydrogen 2.843 N/A ASN 93.A N GLU 90.A O no hydrogen 3.104 N/A LEU 94.A N ILE 89.A O no hydrogen 3.166 N/A ARG 96.A NH1 LEU 94.A O no hydrogen 2.515 N/A ASP 97.A N ASP 97.A OD1 no hydrogen 2.377 N/A GLY 98.A N PRO 95.A O no hydrogen 3.071 N/A LEU 102.A N GLY 98.A O no hydrogen 3.186 N/A LYS 103.A N LYS 99.A O no hydrogen 2.926 N/A LEU 104.A N ASP 100.A O no hydrogen 3.165 N/A LEU 105.A N ALA 101.A O no hydrogen 3.012 N/A ASN 106.A N LEU 102.A O no hydrogen 2.751 N/A TYR 107.A N LEU 104.A O no hydrogen 3.443 N/A THR 109.A OG1 ARG 108.A O no hydrogen 2.514 N/A MET 114.A N ASP 111.A OD2 no hydrogen 2.901 N/A ILE 115.A N ASP 111.A O no hydrogen 3.309 N/A ALA 116.A N PHE 112.A O no hydrogen 2.810 N/A TYR 117.A N ALA 113.A O no hydrogen 2.768 N/A PHE 118.A N MET 114.A O no hydrogen 3.074 N/A VAL 119.A N ILE 115.A O no hydrogen 3.416 N/A LEU 120.A N ALA 116.A O no hydrogen 2.955 N/A LYS 121.A N TYR 117.A O no hydrogen 2.804 N/A ARG 123.A N LEU 120.A O no hydrogen 2.820 N/A ARG 123.A NH1 VAL 119.A O no hydrogen 2.668 N/A CYS 124.A N LEU 120.A O no hydrogen 2.606 N/A GLN 126.A N GLN 126.A OE1 no hydrogen 3.242 N/A GLN 126.A NE2 ILE 162.A O no hydrogen 3.478 N/A GLN 126.A NE2 SER 165.A O no hydrogen 2.803 N/A SER 129.A N GLN 164.A O no hydrogen 2.971 N/A THR 131.A N GLN 134.A OE1 no hydrogen 2.908 N/A ILE 132.A N VAL 9.A O no hydrogen 2.777 N/A GLN 133.A N ALA 6.A O no hydrogen 3.148 N/A GLN 134.A N THR 131.A OG1 no hydrogen 2.790 N/A VAL 135.A N THR 131.A O no hydrogen 3.059 N/A ASN 136.A N ILE 132.A O no hydrogen 3.015 N/A ASN 136.A ND2 PRO 61.A O no hydrogen 3.003 N/A ASN 136.A ND2 ILE 132.A O no hydrogen 3.165 N/A ASP 137.A N GLN 133.A O no hydrogen 2.971 N/A LEU 138.A N GLN 134.A O no hydrogen 2.991 N/A LEU 139.A N VAL 135.A O no hydrogen 2.928 N/A ASP 140.A N ASN 136.A O no hydrogen 2.876 N/A SER 141.A N ASP 137.A O no hydrogen 3.040 N/A SER 141.A OG SER 157.A OG no hydrogen 2.986 N/A ILE 142.A N LEU 138.A O no hydrogen 3.043 N/A ALA 143.A N LEU 139.A O no hydrogen 3.033 N/A SER 144.A N ASP 140.A O no hydrogen 2.955 N/A ASN 145.A N SER 141.A O no hydrogen 2.888 N/A ASN 145.A ND2 SER 141.A O no hydrogen 3.070 N/A ASN 146.A N ILE 142.A O no hydrogen 2.766 N/A ASN 146.A ND2 ALA 76.A O no hydrogen 2.979 N/A SER 147.A N ALA 143.A O no hydrogen 2.902 N/A SER 147.A OG ALA 143.A O no hydrogen 3.117 N/A ALA 148.A N SER 144.A O no hydrogen 3.228 N/A LYS 149.A N ASN 146.A O no hydrogen 2.836 N/A ARG 150.A N ASN 145.A O no hydrogen 2.813 N/A ILE 154.A N ARG 150.A O no hydrogen 3.227 N/A LYS 155.A N LYS 151.A O no hydrogen 3.010 N/A LYS 156.A N ASP 152.A O no hydrogen 3.024 N/A SER 157.A N LEU 153.A O no hydrogen 2.998 N/A SER 157.A OG SER 141.A OG no hydrogen 2.986 N/A SER 157.A OG LEU 153.A O no hydrogen 3.227 N/A LEU 158.A N ILE 154.A O no hydrogen 3.089 N/A LEU 159.A N LYS 155.A O no hydrogen 2.802 N/A GLN 160.A N LYS 156.A O no hydrogen 3.244 N/A GLN 160.A N SER 157.A O no hydrogen 3.141 N/A LEU 161.A N SER 157.A O no hydrogen 3.083 N/A ILE 162.A N LEU 158.A O no hydrogen 2.889 N/A THR 163.A N LEU 159.A O no hydrogen 3.141 N/A THR 163.A OG1 LEU 159.A O no hydrogen 2.797 N/A GLN 164.A NE2 THR 163.A OG1 no hydrogen 3.207 N/A SER 165.A N ILE 162.A O no hydrogen 3.034 N/A SER 165.A OG LEU 161.A O no hydrogen 2.695 N/A SER 166.A N GLU 169.A OE2 no hydrogen 2.495 N/A SER 166.A OG GLU 169.A OE2 no hydrogen 2.806 N/A GLU 169.A N SER 166.A OG no hydrogen 3.279 N/A GLN 170.A N SER 166.A O no hydrogen 3.000 N/A GLN 170.A NE2 SER 165.A O no hydrogen 2.935 N/A GLN 170.A NE2 SER 166.A O no hydrogen 3.041 N/A LYS 171.A N ALA 167.A O no hydrogen 3.072 N/A LYS 171.A NZ GLU 19.A OE1 no hydrogen 2.801 N/A LYS 171.A NZ GLU 19.A OE2 no hydrogen 3.260 N/A LYS 171.A NZ GLN 22.A OE1 no hydrogen 2.926 N/A TRP 172.A N LEU 168.A O no hydrogen 3.169 N/A TRP 172.A NE1 GLU 19.A OE1 no hydrogen 2.792 N/A LEU 173.A N GLU 169.A O no hydrogen 2.700 N/A ILE 174.A N GLN 170.A O no hydrogen 2.774 N/A ARG 175.A N LYS 171.A O no hydrogen 3.291 N/A ARG 175.A NE ASP 111.A OD1 no hydrogen 2.841 N/A ARG 175.A NH1 GLN 22.A OE1 no hydrogen 2.928 N/A ARG 175.A NH1 LEU 181.A O no hydrogen 3.142 N/A ARG 175.A NH2 ASP 111.A OD2 no hydrogen 3.364 N/A MET 176.A N TRP 172.A O no hydrogen 2.862 N/A ILE 177.A N LEU 173.A O no hydrogen 2.947 N/A ILE 178.A N ILE 174.A O no hydrogen 2.983 N/A ASP 180.A N ARG 175.A O no hydrogen 2.984 N/A LYS 182.A NZ ASP 180.A OD2 no hydrogen 3.434 N/A SER 186.A OG THR 189.A OG1 no hydrogen 2.785 N/A GLN 188.A NE2 GLN 188.A O no hydrogen 2.950 N/A THR 189.A N SER 186.A OG no hydrogen 2.900 N/A THR 189.A OG1 SER 186.A OG no hydrogen 2.785 N/A ILE 190.A N SER 186.A O no hydrogen 3.095 N/A PHE 191.A N GLN 187.A O no hydrogen 2.980 N/A SER 192.A N GLN 188.A O no hydrogen 2.966 N/A SER 192.A OG GLN 188.A O no hydrogen 3.106 N/A VAL 193.A N THR 189.A O no hydrogen 3.008 N/A PHE 194.A N ILE 190.A O no hydrogen 3.011 N/A HIS 195.A N PHE 191.A O no hydrogen 2.908 N/A HIS 195.A NE2 VAL 220.A O no hydrogen 3.201 N/A ASP 197.A N HIS 195.A ND1 no hydrogen 3.023 N/A ALA 198.A N HIS 195.A O no hydrogen 3.057 N/A LEU 201.A N ASP 197.A O no hydrogen 2.951 N/A HIS 202.A N ALA 198.A O no hydrogen 2.771 N/A ASN 203.A N ALA 199.A O no hydrogen 3.053 N/A ASN 203.A N GLU 200.A O no hydrogen 3.198 N/A VAL 204.A N LEU 201.A O no hydrogen 3.098 N/A THR 205.A OG1 LEU 201.A O no hydrogen 3.101 N/A THR 205.A OG1 THR 205.A O no hydrogen 2.221 N/A THR 206.A OG1 ALA 232.A O no hydrogen 3.079 N/A GLU 209.A N ASP 207.A OD1 no hydrogen 3.217 N/A VAL 211.A N ASP 207.A O no hydrogen 2.975 N/A CYS 212.A N LEU 208.A O no hydrogen 2.689 N/A CYS 212.A SG LEU 208.A O no hydrogen 3.362 N/A ARG 213.A N GLU 209.A O no hydrogen 2.813 N/A ARG 213.A NE GLU 209.A OE1 no hydrogen 3.084 N/A ARG 213.A NE GLU 209.A OE2 no hydrogen 3.188 N/A ARG 213.A NH2 GLU 209.A OE1 no hydrogen 3.318 N/A GLN 214.A N LYS 210.A O no hydrogen 2.733 N/A LEU 215.A N VAL 211.A O no hydrogen 3.165 N/A SER 219.A N ASP 217.A OD1 no hydrogen 2.921 N/A SER 219.A OG ASP 217.A OD1 no hydrogen 2.925 N/A SER 226.A OG ASP 224.A O no hydrogen 3.282 N/A THR 228.A OG1 SER 231.A OG no hydrogen 3.294 N/A PHE 230.A N HIS 269.A ND1 no hydrogen 2.912 N/A SER 231.A N THR 228.A O no hydrogen 3.180 N/A SER 231.A OG THR 228.A OG1 no hydrogen 3.294 N/A PHE 233.A N GLN 267.A OE1 no hydrogen 3.114 N/A LYS 234.A N ASN 203.A O no hydrogen 2.660 N/A LYS 234.A NZ HIS 202.A ND1 no hydrogen 2.844 N/A LYS 234.A NZ ASN 203.A OD1 no hydrogen 2.868 N/A MET 236.A N TYR 425.A OH no hydrogen 2.868 N/A LEU 237.A N LYS 429.A O no hydrogen 2.982 N/A ALA 239.A N TRP 434.A O no hydrogen 3.158 N/A ALA 241.A N LYS 436.A O no hydrogen 3.045 N/A HIS 245.A N ASP 242.A O no hydrogen 3.283 N/A ILE 246.A N ILE 243.A O no hydrogen 3.316 N/A ASP 249.A N HIS 245.A O no hydrogen 3.026 N/A MET 250.A N ILE 246.A O no hydrogen 2.819 N/A LYS 251.A N LYS 248.A O no hydrogen 2.609 N/A HIS 252.A N GLU 247.A O no hydrogen 3.035 N/A GLN 253.A N MET 250.A O no hydrogen 3.258 N/A SER 254.A N GLN 253.A OE1 no hydrogen 3.048 N/A PHE 255.A N ALA 395.A O no hydrogen 2.819 N/A TYR 256.A N LYS 419.A O no hydrogen 2.980 N/A ILE 257.A N THR 393.A O no hydrogen 2.892 N/A GLU 258.A N MET 417.A O no hydrogen 2.914 N/A THR 259.A N GLN 391.A O no hydrogen 3.168 N/A GLY 263.A N GLU 318.A OE2 no hydrogen 2.916 N/A GLU 264.A N MET 319.A O no hydrogen 3.075 N/A ARG 265.A NE ASP 316.A OD1 no hydrogen 2.894 N/A ARG 265.A NE ASP 316.A OD2 no hydrogen 3.255 N/A ARG 265.A NH1 MET 236.A O no hydrogen 3.224 N/A ARG 265.A NH2 MET 236.A O no hydrogen 2.648 N/A ARG 265.A NH2 ASP 316.A OD2 no hydrogen 2.841 N/A MET 266.A N GLY 317.A O no hydrogen 2.914 N/A GLN 267.A N PHE 278.A O no hydrogen 2.887 N/A GLN 267.A NE2 PHE 233.A O no hydrogen 2.835 N/A MET 268.A N LEU 315.A O no hydrogen 2.865 N/A HIS 269.A N LYS 276.A O no hydrogen 2.756 N/A HIS 269.A NE2 GLN 267.A OE1 no hydrogen 2.666 N/A LYS 270.A N CYS 313.A O no hydrogen 2.760 N/A LYS 270.A NZ TYR 275.A OH no hydrogen 3.093 N/A ASP 271.A N VAL 274.A O no hydrogen 3.000 N/A GLY 272.A N GLN 311.A O no hydrogen 2.838 N/A VAL 274.A N ASP 271.A O no hydrogen 3.264 N/A TYR 275.A N ALA 291.A O no hydrogen 2.718 N/A TYR 275.A OH HIS 303.A ND1 no hydrogen 2.802 N/A LYS 276.A N HIS 269.A O no hydrogen 2.870 N/A TYR 277.A N THR 286.A OG1 no hydrogen 3.057 N/A TYR 277.A OH THR 299.A OG1 no hydrogen 2.643 N/A PHE 278.A N GLN 267.A O no hydrogen 3.008 N/A SER 279.A N TYR 283.A O no hydrogen 2.912 N/A SER 279.A OG TYR 283.A O no hydrogen 3.482 N/A GLY 282.A N SER 279.A O no hydrogen 2.933 N/A TYR 283.A N SER 279.A OG no hydrogen 3.238 N/A TYR 285.A N TYR 277.A O no hydrogen 2.820 N/A THR 286.A N ASN 284.A OD1 no hydrogen 2.697 N/A THR 286.A OG1 ASN 284.A OD1 no hydrogen 2.582 N/A GLN 288.A N TYR 285.A O no hydrogen 3.269 N/A PHE 289.A N TYR 285.A O no hydrogen 3.200 N/A GLY 290.A N THR 286.A O no hydrogen 2.788 N/A SER 292.A OG THR 294.A OG1 no hydrogen 3.179 N/A THR 294.A N SER 292.A OG no hydrogen 3.177 N/A THR 294.A OG1 SER 292.A OG no hydrogen 3.179 N/A GLU 295.A N SER 292.A O no hydrogen 3.011 N/A SER 297.A N GLN 288.A O no hydrogen 2.875 N/A SER 297.A OG GLN 288.A O no hydrogen 3.054 N/A LEU 298.A N PHE 289.A O no hydrogen 3.053 N/A THR 299.A N PHE 289.A O no hydrogen 2.969 N/A THR 299.A OG1 TYR 277.A OH no hydrogen 2.643 N/A THR 299.A OG1 PHE 289.A O no hydrogen 3.090 N/A THR 299.A OG1 GLY 290.A O no hydrogen 2.721 N/A PHE 301.A N LEU 298.A O no hydrogen 2.781 N/A ILE 302.A N LEU 298.A O no hydrogen 3.158 N/A ILE 302.A N THR 299.A O no hydrogen 3.165 N/A HIS 303.A N THR 299.A O no hydrogen 2.889 N/A HIS 303.A ND1 TYR 275.A OH no hydrogen 2.802 N/A ALA 305.A N ILE 302.A O no hydrogen 2.714 N/A LYS 307.A N ILE 379.A O no hydrogen 3.076 N/A LYS 307.A NZ SER 377.A O no hydrogen 3.446 N/A ILE 310.A N LYS 307.A O no hydrogen 3.162 N/A GLN 311.A N ASN 360.A OD1 no hydrogen 2.744 N/A GLN 311.A NE2 ASP 271.A OD1 no hydrogen 3.355 N/A ILE 312.A N ASN 360.A OD1 no hydrogen 2.984 N/A CYS 313.A N LYS 270.A O no hydrogen 2.899 N/A ILE 314.A N MET 358.A O no hydrogen 3.027 N/A LEU 315.A N MET 268.A O no hydrogen 2.833 N/A ASP 316.A N ASP 355.A O no hydrogen 2.905 N/A GLY 317.A N MET 266.A O no hydrogen 3.115 N/A GLU 318.A N CYS 352.A O no hydrogen 2.958 N/A MET 319.A N GLU 264.A O no hydrogen 2.743 N/A MET 320.A N CYS 350.A O no hydrogen 2.736 N/A TYR 322.A N GLN 348.A O no hydrogen 2.735 N/A ASN 323.A N THR 328.A O no hydrogen 2.807 N/A ASN 323.A ND2 ASP 346.A O no hydrogen 3.535 N/A THR 326.A N ASN 323.A O no hydrogen 3.374 N/A THR 326.A OG1 ASN 323.A OD1 no hydrogen 2.750 N/A THR 326.A OG1 THR 328.A OG1 no hydrogen 3.386 N/A GLN 327.A N PRO 324.A O no hydrogen 3.281 N/A GLN 327.A NE2 PRO 324.A O no hydrogen 2.910 N/A THR 328.A N ASN 323.A O no hydrogen 3.308 N/A THR 328.A OG1 THR 326.A O no hydrogen 3.003 N/A THR 328.A OG1 THR 326.A OG1 no hydrogen 3.386 N/A MET 330.A N ALA 321.A O no hydrogen 2.810 N/A GLN 331.A N THR 490.A O no hydrogen 2.828 N/A GLN 331.A NE2 GLY 333.A O no hydrogen 2.608 N/A THR 334.A OG1 GLU 493.A OE1 no hydrogen 3.471 N/A THR 334.A OG1 GLU 493.A OE2 no hydrogen 2.708 N/A LYS 335.A N GLU 493.A OE1 no hydrogen 3.095 N/A PHE 336.A N THR 334.A OG1 no hydrogen 2.885 N/A MET 341.A N ASP 337.A O no hydrogen 3.046 N/A VAL 342.A N ILE 338.A O no hydrogen 2.858 N/A GLU 343.A N LYS 339.A O no hydrogen 2.842 N/A ASP 344.A N ARG 340.A O no hydrogen 2.637 N/A SER 345.A N VAL 342.A O no hydrogen 3.300 N/A ASP 346.A N MET 341.A O no hydrogen 2.823 N/A LEU 347.A N MET 341.A O no hydrogen 3.200 N/A GLN 348.A N TYR 322.A O no hydrogen 2.785 N/A GLN 348.A NE2 GLY 385.A O no hydrogen 2.884 N/A CYS 350.A N MET 320.A O no hydrogen 2.815 N/A TYR 351.A N ARG 386.A O no hydrogen 2.609 N/A TYR 351.A OH MET 266.A O no hydrogen 2.777 N/A CYS 352.A N GLU 318.A O no hydrogen 2.880 N/A VAL 353.A N GLU 388.A O no hydrogen 2.711 N/A PHE 354.A N ASP 316.A O no hydrogen 2.958 N/A ASP 355.A N ASP 316.A O no hydrogen 3.191 N/A VAL 356.A N ASP 355.A OD1 no hydrogen 2.766 N/A LEU 357.A N ILE 314.A O no hydrogen 2.827 N/A VAL 359.A N LYS 362.A O no hydrogen 2.865 N/A ASN 360.A N ILE 312.A O no hydrogen 2.542 N/A ASN 360.A ND2 ASP 309.A O no hydrogen 3.005 N/A LYS 362.A N VAL 359.A O no hydrogen 2.855 N/A LEU 364.A N LEU 357.A O no hydrogen 2.769 N/A GLU 367.A N LEU 364.A O no hydrogen 2.803 N/A ARG 370.A N PRO 421.A O no hydrogen 2.832 N/A LYS 371.A N THR 368.A OG1 no hydrogen 2.844 N/A ARG 372.A N THR 368.A O no hydrogen 3.013 N/A ARG 372.A NE ASP 355.A OD1 no hydrogen 2.893 N/A ARG 372.A NE ASP 355.A OD2 no hydrogen 3.535 N/A TYR 373.A N LEU 369.A O no hydrogen 2.927 N/A TYR 373.A OH GLU 258.A OE2 no hydrogen 2.663 N/A GLU 374.A N ARG 370.A O no hydrogen 3.178 N/A ILE 375.A N LYS 371.A O no hydrogen 3.091 N/A LEU 376.A N ARG 372.A O no hydrogen 2.886 N/A SER 377.A N TYR 373.A O no hydrogen 3.284 N/A SER 377.A OG TYR 373.A O no hydrogen 3.546 N/A SER 378.A N ILE 375.A O no hydrogen 2.913 N/A SER 378.A OG ILE 375.A O no hydrogen 2.578 N/A ILE 379.A N LEU 376.A O no hydrogen 2.873 N/A THR 381.A N ALA 305.A O no hydrogen 2.818 N/A THR 381.A OG1 ALA 305.A O no hydrogen 3.432 N/A ILE 383.A N ILE 387.A O no hydrogen 2.812 N/A GLY 385.A N GLU 388.A OE2 no hydrogen 2.638 N/A ARG 386.A N ILE 383.A O no hydrogen 2.882 N/A ILE 387.A N ILE 383.A O no hydrogen 3.079 N/A GLU 388.A N TYR 351.A O no hydrogen 2.905 N/A VAL 390.A N VAL 353.A O no hydrogen 2.946 N/A THR 393.A N ILE 257.A O no hydrogen 3.113 N/A ALA 395.A N PHE 255.A O no hydrogen 2.775 N/A HIS 396.A N GLU 400.A OE1 no hydrogen 2.682 N/A THR 397.A OG1 GLU 400.A OE1 no hydrogen 2.731 N/A LYS 398.A N GLU 247.A OE1 no hydrogen 3.123 N/A VAL 401.A N THR 397.A O no hydrogen 3.227 N/A VAL 401.A N LYS 398.A O no hydrogen 3.074 N/A ILE 402.A N LYS 398.A O no hydrogen 3.213 N/A ILE 402.A N ASN 399.A O no hydrogen 3.215 N/A ASP 403.A N ASN 399.A O no hydrogen 3.145 N/A ALA 404.A N GLU 400.A O no hydrogen 3.089 N/A LEU 405.A N VAL 401.A O no hydrogen 2.778 N/A ASN 406.A N ILE 402.A O no hydrogen 2.601 N/A GLU 407.A N ASP 403.A O no hydrogen 2.952 N/A ALA 408.A N ALA 404.A O no hydrogen 2.774 N/A ILE 409.A N LEU 405.A O no hydrogen 2.987 N/A ASP 410.A N ASN 406.A O no hydrogen 2.953 N/A LYS 411.A N GLU 407.A O no hydrogen 2.950 N/A ARG 412.A N ILE 409.A O no hydrogen 2.941 N/A ARG 412.A NE THR 490.A OG1 no hydrogen 2.734 N/A ARG 412.A NH1 GLN 331.A OE1 no hydrogen 2.545 N/A ARG 412.A NH1 THR 490.A OG1 no hydrogen 3.389 N/A ARG 412.A NH2 ILE 560.A O no hydrogen 2.953 N/A GLU 413.A N ALA 408.A O no hydrogen 2.765 N/A ILE 416.A N ILE 437.A O no hydrogen 2.968 N/A MET 417.A N GLU 258.A O no hydrogen 2.849 N/A VAL 418.A N LEU 435.A O no hydrogen 3.000 N/A LYS 419.A N TYR 256.A O no hydrogen 2.976 N/A LYS 419.A NZ GLU 258.A OE1 no hydrogen 2.944 N/A GLN 420.A N GLY 433.A O no hydrogen 3.046 N/A SER 423.A N GLN 420.A O no hydrogen 3.013 N/A SER 423.A OG GLN 420.A O no hydrogen 2.680 N/A TYR 425.A N GLY 365.A O no hydrogen 2.899 N/A TYR 425.A OH ASP 316.A OD2 no hydrogen 2.775 N/A ASP 428.A N PRO 235.A O no hydrogen 2.785 N/A LYS 429.A N LYS 426.A O no hydrogen 3.079 N/A ARG 430.A NH2 ALA 238.A O no hydrogen 2.740 N/A GLY 431.A N LEU 237.A O no hydrogen 2.992 N/A TRP 434.A N GLY 431.A O no hydrogen 3.314 N/A LEU 435.A N VAL 418.A O no hydrogen 2.692 N/A LYS 436.A N ALA 239.A O no hydrogen 2.666 N/A ILE 437.A N ILE 416.A O no hydrogen 2.897 N/A TYR 441.A N PRO 439.A O no hydrogen 2.992 N/A TYR 441.A OH PHE 557.A O no hydrogen 3.133 N/A ILE 449.A N VAL 536.A O no hydrogen 3.125 N/A LEU 450.A N ALA 469.A O no hydrogen 3.147 N/A ILE 451.A N VAL 534.A O no hydrogen 3.179 N/A VAL 452.A N LEU 467.A O no hydrogen 2.934 N/A GLY 453.A N LEU 467.A O no hydrogen 3.098 N/A GLY 454.A N VAL 526.A O no hydrogen 2.966 N/A TYR 455.A N HIS 465.A O no hydrogen 2.987 N/A TYR 455.A OH GLU 522.A OE2 no hydrogen 2.652 N/A TYR 455.A OH LYS 523.A O no hydrogen 3.159 N/A TRP 456.A N GLU 525.A OE1 no hydrogen 3.139 N/A SER 464.A N TYR 455.A O no hydrogen 2.876 N/A SER 464.A OG TYR 455.A O no hydrogen 3.518 N/A SER 464.A OG HIS 465.A ND1 no hydrogen 2.856 N/A HIS 465.A ND1 SER 464.A OG no hydrogen 2.856 N/A HIS 465.A NE2 ASP 410.A OD2 no hydrogen 2.618 N/A PHE 466.A N VAL 485.A O no hydrogen 2.842 N/A LEU 467.A N GLY 453.A O no hydrogen 2.745 N/A CYS 468.A N SER 483.A O no hydrogen 2.808 N/A ALA 469.A N LEU 450.A O no hydrogen 2.886 N/A VAL 470.A N HIS 480.A O no hydrogen 2.809 N/A ALA 471.A N MET 573.A O no hydrogen 2.706 N/A GLU 472.A N VAL 478.A O no hydrogen 2.885 N/A PHE 479.A N SER 516.A O no hydrogen 2.680 N/A HIS 480.A N VAL 470.A O no hydrogen 2.851 N/A THR 481.A N LEU 518.A O no hydrogen 3.021 N/A LEU 482.A N CYS 468.A O no hydrogen 2.851 N/A SER 483.A OG ARG 484.A O no hydrogen 2.883 N/A ARG 484.A N TYR 549.A OH no hydrogen 3.205 N/A VAL 485.A N PHE 466.A O no hydrogen 2.776 N/A SER 487.A N SER 464.A O no hydrogen 2.936 N/A SER 487.A OG VAL 485.A O no hydrogen 3.385 N/A THR 490.A N GLY 488.A O no hydrogen 2.768 N/A THR 490.A OG1 GLN 331.A OE1 no hydrogen 2.922 N/A LYS 492.A NZ ASP 496.A OD1 no hydrogen 2.894 N/A GLU 493.A N GLU 493.A OE2 no hydrogen 2.708 N/A LEU 494.A N MET 491.A O no hydrogen 3.091 N/A ASP 496.A N LYS 492.A O no hydrogen 2.676 N/A LEU 497.A N GLU 493.A O no hydrogen 2.914 N/A GLY 498.A N LEU 494.A O no hydrogen 3.278 N/A LEU 499.A N TYR 495.A O no hydrogen 3.324 N/A LYS 500.A N ASP 496.A O no hydrogen 3.054 N/A LEU 501.A N LEU 497.A O no hydrogen 2.914 N/A LEU 501.A N GLY 498.A O no hydrogen 3.264 N/A TYR 504.A N LEU 501.A O no hydrogen 2.802 N/A LYS 506.A N TYR 527.A O no hydrogen 2.736 N/A LYS 506.A NZ GLU 529.A OE2 no hydrogen 3.232 N/A PHE 508.A N GLU 525.A O no hydrogen 2.949 N/A ALA 512.A N HIS 509.A O no hydrogen 2.954 N/A SER 516.A OG GLU 529.A OE1 no hydrogen 3.450 N/A LEU 518.A N PHE 479.A O no hydrogen 2.760 N/A THR 521.A N ASP 547.A O no hydrogen 3.327 N/A GLU 522.A N MET 548.A O no hydrogen 3.010 N/A LYS 523.A NZ GLY 520.A O no hydrogen 2.535 N/A GLU 525.A N GLY 454.A O no hydrogen 3.177 N/A VAL 526.A N GLY 454.A O no hydrogen 3.383 N/A TYR 527.A N LYS 506.A O no hydrogen 2.827 N/A ILE 528.A N VAL 452.A O no hydrogen 3.088 N/A ASN 532.A N GLU 529.A O no hydrogen 2.819 N/A SER 533.A N PRO 530.A O no hydrogen 3.019 N/A SER 533.A OG ILE 451.A O no hydrogen 2.561 N/A SER 533.A OG VAL 534.A O no hydrogen 3.537 N/A VAL 534.A N SER 533.A OG no hydrogen 2.480 N/A VAL 536.A N ILE 449.A O no hydrogen 3.046 N/A GLN 537.A N LYS 562.A O no hydrogen 2.667 N/A ILE 538.A N LEU 447.A O no hydrogen 2.596 N/A LYS 539.A N ARG 559.A O no hydrogen 2.851 N/A ALA 541.A N ARG 556.A O no hydrogen 2.955 N/A VAL 544.A N THR 554.A O no hydrogen 3.020 N/A SER 546.A N GLY 552.A O no hydrogen 3.249 N/A MET 548.A N SER 546.A OG no hydrogen 3.282 N/A LYS 550.A N THR 481.A OG1 no hydrogen 2.861 N/A THR 551.A N THR 481.A O no hydrogen 3.057 N/A THR 551.A OG1 THR 481.A O no hydrogen 3.045 N/A THR 551.A OG1 CYS 553.A O no hydrogen 2.936 N/A GLY 552.A N TYR 549.A O no hydrogen 3.065 N/A CYS 553.A SG THR 551.A O no hydrogen 3.977 N/A CYS 553.A SG THR 551.A OG1 no hydrogen 3.670 N/A THR 554.A N VAL 544.A O no hydrogen 2.803 N/A THR 554.A OG1 LEU 482.A O no hydrogen 2.936 N/A LEU 555.A N THR 554.A OG1 no hydrogen 2.485 N/A ARG 556.A N GLU 542.A O no hydrogen 2.902 N/A ARG 559.A NH1 ARG 412.A O no hydrogen 2.946 N/A GLU 561.A N GLN 537.A O no hydrogen 2.655 N/A LYS 562.A N GLN 537.A O no hydrogen 3.471 N/A ARG 564.A N ILE 535.A O no hydrogen 2.744 N/A ARG 564.A NE ASP 566.A OD2 no hydrogen 2.863 N/A LYS 567.A N ARG 564.A O no hydrogen 3.064 N/A GLU 568.A N GLU 571.A OE2 no hydrogen 2.625 N/A GLU 571.A N GLU 568.A O no hydrogen 3.046 N/A CYS 572.A SG ALA 469.A O no hydrogen 3.600 N/A CYS 572.A SG MET 573.A O no hydrogen 3.206 N/A MET 573.A N ASP 448.A O no hydrogen 3.200 N/A THR 574.A OG1 ASP 577.A OD1 no hydrogen 2.816 N/A LEU 575.A N ALA 471.A O no hydrogen 2.927 N/A ASP 577.A N THR 574.A OG1 no hydrogen 2.919 N/A LEU 578.A N THR 574.A O no hydrogen 2.893 N/A GLU 579.A N LEU 575.A O no hydrogen 2.717 N/A GLN 580.A N ASP 576.A O no hydrogen 3.212 N/A LEU 581.A N ASP 577.A O no hydrogen 2.910 N/A ARG 582.A N LEU 578.A O no hydrogen 3.095 N/A