Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nol_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ASP 4.A OD2 no hydrogen 3.196 N/A HIS 3.A NE2 LEU 507.A O no hydrogen 3.268 N/A HIS 3.A NE2 HIS 509.A O no hydrogen 2.644 N/A LYS 5.A N THR 1.A O no hydrogen 3.150 N/A LYS 5.A NZ ASP 94.A O no hydrogen 2.999 N/A GLN 6.A N LEU 2.A O no hydrogen 2.838 N/A GLN 6.A NE2 GLN 6.A O no hydrogen 3.178 N/A GLN 6.A NE2 TYR 99.A O no hydrogen 2.956 N/A ILE 7.A N HIS 3.A O no hydrogen 3.289 N/A ILE 7.A N ASP 4.A O no hydrogen 2.848 N/A ARG 8.A N ASP 4.A O no hydrogen 3.104 N/A ARG 8.A NH1 ASN 63.A OD1 no hydrogen 2.788 N/A ARG 8.A NH2 ASN 63.A OD1 no hydrogen 3.106 N/A ILE 9.A N LYS 5.A O no hydrogen 3.043 N/A CYS 10.A N GLN 6.A O no hydrogen 2.961 N/A CYS 10.A SG GLN 6.A O no hydrogen 3.146 N/A HIS 11.A N ILE 7.A O no hydrogen 3.167 N/A LEU 12.A N ILE 9.A O no hydrogen 2.956 N/A PHE 13.A N CYS 10.A O no hydrogen 2.999 N/A GLN 15.A N HIS 406.A O no hydrogen 2.758 N/A GLN 15.A NE2 ILE 408.A O no hydrogen 2.855 N/A ALA 19.A N LEU 16.A O no hydrogen 3.272 N/A HIS 22.A ND1 GLU 71.A OE2 no hydrogen 2.907 N/A SER 23.A OG HIS 22.A O no hydrogen 2.930 N/A SER 23.A OG GLU 71.A OE1 no hydrogen 2.984 N/A ARG 25.A NH1 ASP 64.A OD2 no hydrogen 3.451 N/A ARG 25.A NH2 ASP 64.A OD2 no hydrogen 3.346 N/A LEU 26.A N SER 23.A O no hydrogen 2.978 N/A GLY 30.A N GLU 48.A OE2 no hydrogen 2.760 N/A LYS 31.A N GLU 48.A OE2 no hydrogen 2.996 N/A LEU 32.A N GLU 48.A OE1 no hydrogen 2.950 N/A GLY 35.A N GLU 78.A OE1 no hydrogen 2.921 N/A GLY 35.A N GLU 78.A OE2 no hydrogen 3.224 N/A ALA 36.A N GLN 33.A O no hydrogen 3.204 N/A ILE 37.A N GLU 331.A OE1 no hydrogen 3.028 N/A SER 39.A N HIS 45.A ND1 no hydrogen 3.110 N/A CYS 40.A N SER 336.A O no hydrogen 2.910 N/A CYS 40.A SG THR 338.A OG1 no hydrogen 3.367 N/A PHE 41.A N SER 39.A OG no hydrogen 3.082 N/A HIS 42.A N SER 39.A OG no hydrogen 2.764 N/A HIS 42.A NE2 ASP 250.A OD2 no hydrogen 3.075 N/A ASP 44.A N HIS 42.A ND1 no hydrogen 3.373 N/A LEU 46.A N HIS 42.A O no hydrogen 3.142 N/A GLU 47.A N PRO 43.A O no hydrogen 2.889 N/A ALA 49.A N HIS 45.A O no hydrogen 2.991 N/A ARG 50.A N LEU 46.A O no hydrogen 2.908 N/A ARG 50.A NH1 GLU 54.A OE2 no hydrogen 3.111 N/A HIS 51.A N GLU 47.A O no hydrogen 2.952 N/A LEU 52.A N GLU 48.A O no hydrogen 3.032 N/A TYR 53.A N ALA 49.A O no hydrogen 2.986 N/A TYR 53.A OH THR 170.A OG1 no hydrogen 2.940 N/A GLU 54.A N ARG 50.A O no hydrogen 2.895 N/A VAL 55.A N HIS 51.A O no hydrogen 3.361 N/A PHE 56.A N LEU 52.A O no hydrogen 3.196 N/A TRP 57.A N TYR 53.A O no hydrogen 2.895 N/A GLU 58.A N GLU 54.A O no hydrogen 2.905 N/A ALA 59.A N PHE 56.A O no hydrogen 3.343 N/A ASN 63.A N ASP 61.A OD2 no hydrogen 3.250 N/A PHE 65.A N ASP 61.A O no hydrogen 2.960 N/A ILE 66.A N PHE 62.A O no hydrogen 2.901 N/A GLU 67.A N ASN 63.A O no hydrogen 2.981 N/A ILE 68.A N ASP 64.A O no hydrogen 3.093 N/A ALA 69.A N PHE 65.A O no hydrogen 3.166 N/A LYS 70.A N ILE 66.A O no hydrogen 2.892 N/A GLU 71.A N GLU 67.A O no hydrogen 3.115 N/A ALA 72.A N ILE 68.A O no hydrogen 2.788 N/A ARG 73.A N ALA 69.A O no hydrogen 2.911 N/A ARG 73.A NH1 HIS 11.A O no hydrogen 2.701 N/A ARG 73.A NH2 GLU 14.A O no hydrogen 2.727 N/A THR 74.A N GLU 71.A O no hydrogen 3.151 N/A THR 74.A OG1 GLU 71.A O no hydrogen 2.756 N/A PHE 75.A N ALA 72.A O no hydrogen 3.022 N/A VAL 76.A N ALA 72.A O no hydrogen 3.075 N/A ASN 77.A ND2 GLN 33.A O no hydrogen 2.982 N/A ASN 77.A ND2 ALA 36.A O no hydrogen 2.736 N/A GLY 79.A N ASN 77.A OD1 no hydrogen 2.909 N/A LEU 80.A N ASN 77.A OD1 no hydrogen 3.211 N/A PHE 81.A N ASN 77.A O no hydrogen 3.042 N/A ALA 82.A N GLU 78.A O no hydrogen 3.033 N/A PHE 83.A N GLY 79.A O no hydrogen 3.080 N/A ALA 84.A N LEU 80.A O no hydrogen 2.910 N/A ALA 85.A N PHE 81.A O no hydrogen 3.018 N/A GLU 86.A N ALA 82.A O no hydrogen 3.106 N/A VAL 87.A N PHE 83.A O no hydrogen 3.172 N/A ALA 88.A N ALA 84.A O no hydrogen 3.167 N/A VAL 89.A N ALA 85.A O no hydrogen 2.848 N/A LEU 90.A N GLU 86.A O no hydrogen 3.117 N/A HIS 91.A N ALA 88.A O no hydrogen 3.207 N/A HIS 91.A ND1 VAL 87.A O no hydrogen 2.736 N/A ARG 92.A N ALA 88.A O no hydrogen 2.896 N/A ARG 92.A NE ASP 94.A OD1 no hydrogen 2.794 N/A ARG 92.A NH1 PHE 56.A O no hydrogen 2.868 N/A ARG 92.A NH1 ALA 59.A O no hydrogen 2.816 N/A ARG 92.A NH2 ALA 59.A O no hydrogen 2.926 N/A ARG 92.A NH2 ASP 94.A OD1 no hydrogen 3.461 N/A ARG 92.A NH2 ASP 94.A OD2 no hydrogen 2.817 N/A CYS 95.A N ARG 92.A O no hydrogen 3.184 N/A CYS 95.A SG ASP 94.A OD1 no hydrogen 3.806 N/A LYS 96.A N ASP 93.A O no hydrogen 3.021 N/A LEU 98.A N CYS 95.A O no hydrogen 2.874 N/A TYR 99.A N GLN 6.A OE1 no hydrogen 2.896 N/A GLN 104.A NE2 GLN 501.A OE1 no hydrogen 3.400 N/A GLU 105.A N PRO 102.A O no hydrogen 3.030 N/A ILE 106.A N PRO 102.A O no hydrogen 3.200 N/A PHE 107.A N VAL 103.A O no hydrogen 2.919 N/A ASP 109.A N ASP 109.A OD1 no hydrogen 2.823 N/A LYS 110.A N PHE 107.A O no hydrogen 2.970 N/A LYS 110.A NZ ASP 337.A OD2 no hydrogen 3.112 N/A PHE 111.A N PRO 108.A O no hydrogen 3.046 N/A ILE 112.A N PRO 108.A O no hydrogen 3.091 N/A SER 114.A N HIS 226.A O no hydrogen 3.035 N/A SER 114.A OG HIS 226.A O no hydrogen 3.274 N/A SER 114.A OG THR 228.A OG1 no hydrogen 2.654 N/A ILE 117.A N PRO 113.A O no hydrogen 3.145 N/A ASN 118.A N SER 114.A O no hydrogen 2.848 N/A ASN 118.A N ALA 115.A O no hydrogen 2.819 N/A GLU 119.A N ALA 115.A O no hydrogen 2.949 N/A ALA 120.A N ALA 116.A O no hydrogen 3.061 N/A PHE 121.A N ILE 117.A O no hydrogen 3.044 N/A LYS 122.A N ASN 118.A O no hydrogen 2.816 N/A LYS 122.A NZ ASN 118.A OD1 no hydrogen 3.336 N/A LYS 123.A N GLU 119.A O no hydrogen 2.746 N/A LYS 123.A NZ LEU 131.A O no hydrogen 3.506 N/A ALA 124.A N ALA 120.A O no hydrogen 2.957 N/A HIS 125.A N LYS 123.A O no hydrogen 2.834 N/A ILE 130.A N SER 415.A O no hydrogen 3.053 N/A VAL 132.A N LYS 417.A O no hydrogen 3.008 N/A VAL 134.A N ARG 419.A O no hydrogen 2.880 N/A THR 137.A OG1 ASP 136.A O no hydrogen 3.293 N/A TYR 145.A N ASP 142.A O no hydrogen 2.893 N/A ARG 146.A N PRO 143.A O no hydrogen 2.919 N/A LEU 147.A N GLU 144.A O no hydrogen 3.002 N/A ALA 148.A N TYR 145.A O no hydrogen 3.287 N/A TYR 149.A OH GLU 201.A OE1 no hydrogen 2.801 N/A TYR 150.A N LEU 147.A O no hydrogen 2.928 N/A ARG 151.A N LEU 147.A O no hydrogen 2.930 N/A ARG 151.A NE GLU 144.A OE1 no hydrogen 2.873 N/A ARG 151.A NH1 GLU 152.A OE2 no hydrogen 2.961 N/A ARG 151.A NH1 ARG 343.A O no hydrogen 2.566 N/A ARG 151.A NH2 GLU 144.A O no hydrogen 2.811 N/A GLU 152.A N ALA 148.A O no hydrogen 2.887 N/A ASP 153.A N TYR 150.A O no hydrogen 3.279 N/A ILE 156.A N ASP 153.A OD2 no hydrogen 2.964 N/A ASN 157.A ND2 ARG 151.A O no hydrogen 3.323 N/A ASN 157.A ND2 ASP 153.A O no hydrogen 2.848 N/A ALA 158.A N VAL 154.A O no hydrogen 3.014 N/A HIS 159.A N GLY 155.A O no hydrogen 3.026 N/A HIS 160.A N ILE 156.A O no hydrogen 3.066 N/A TRP 161.A N ASN 157.A O no hydrogen 3.122 N/A TRP 161.A NE1 GLU 86.A OE1 no hydrogen 3.095 N/A HIS 162.A N ALA 158.A O no hydrogen 3.022 N/A HIS 162.A ND1 GLU 86.A OE2 no hydrogen 2.750 N/A HIS 162.A NE2 GLN 501.A OE1 no hydrogen 3.145 N/A TRP 163.A N HIS 159.A O no hydrogen 2.832 N/A TRP 163.A NE1 TYR 561.A O no hydrogen 2.863 N/A HIS 164.A N HIS 160.A O no hydrogen 3.445 N/A HIS 164.A NE2 HIS 160.A NE2 no hydrogen 2.867 N/A LEU 165.A N HIS 162.A O no hydrogen 2.968 N/A VAL 166.A N HIS 162.A O no hydrogen 3.112 N/A VAL 166.A N TRP 163.A O no hydrogen 3.045 N/A TYR 167.A N TRP 163.A O no hydrogen 2.990 N/A TYR 167.A OH CYS 562.A O no hydrogen 2.750 N/A THR 170.A OG1 TYR 53.A OH no hydrogen 2.940 N/A TRP 171.A N PRO 168.A O no hydrogen 3.119 N/A TRP 171.A NE1 LYS 178.A O no hydrogen 3.126 N/A LYS 174.A N ASN 172.A OD1 no hydrogen 2.916 N/A TYR 175.A N ASN 172.A O no hydrogen 3.226 N/A TYR 175.A N ASN 172.A OD1 no hydrogen 3.322 N/A TYR 175.A OH GLU 58.A OE2 no hydrogen 2.885 N/A PHE 176.A N ASN 172.A O no hydrogen 3.276 N/A PHE 176.A N PRO 173.A O no hydrogen 3.247 N/A LYS 180.A NZ HIS 91.A NE2 no hydrogen 3.056 N/A LYS 180.A NZ VAL 166.A O no hydrogen 2.994 N/A ARG 182.A NE GLU 185.A OE1 no hydrogen 3.095 N/A ARG 182.A NH1 ASP 571.A O no hydrogen 2.713 N/A ARG 182.A NH2 LYS 573.A O no hydrogen 2.884 N/A LYS 183.A NZ PRO 168.A O no hydrogen 3.377 N/A GLU 185.A N ASP 289.A OD1 no hydrogen 3.311 N/A LEU 186.A N ARG 182.A O no hydrogen 2.796 N/A PHE 187.A N LYS 183.A O no hydrogen 2.813 N/A TYR 188.A N GLY 184.A O no hydrogen 3.186 N/A TYR 189.A N GLU 185.A O no hydrogen 2.928 N/A TYR 189.A OH GLU 472.A OE1 no hydrogen 2.536 N/A MET 190.A N LEU 186.A O no hydrogen 2.915 N/A HIS 191.A N PHE 187.A O no hydrogen 3.276 N/A HIS 191.A ND1 PHE 187.A O no hydrogen 2.804 N/A GLN 192.A N TYR 188.A O no hydrogen 2.993 N/A GLN 193.A N TYR 189.A O no hydrogen 2.952 N/A GLN 193.A NE2 GLN 192.A OE1 no hydrogen 2.833 N/A GLN 193.A NE2 ALA 470.A O no hydrogen 2.934 N/A MET 194.A N MET 190.A O no hydrogen 3.088 N/A CYS 195.A N HIS 191.A O no hydrogen 3.109 N/A CYS 195.A SG HIS 191.A O no hydrogen 3.387 N/A ALA 196.A N GLN 192.A O no hydrogen 2.849 N/A ARG 197.A N GLN 193.A O no hydrogen 2.750 N/A ARG 197.A NE TYR 561.A OH no hydrogen 3.038 N/A ARG 197.A NH1 LEU 526.A O no hydrogen 2.873 N/A ARG 197.A NH2 GLU 472.A O no hydrogen 2.929 N/A ARG 197.A NH2 LEU 526.A O no hydrogen 3.341 N/A TYR 198.A N MET 194.A O no hydrogen 2.931 N/A TYR 198.A OH GLU 144.A OE1 no hydrogen 3.264 N/A ASP 199.A N CYS 195.A O no hydrogen 2.825 N/A CYS 200.A N ALA 196.A O no hydrogen 3.173 N/A CYS 200.A SG ALA 196.A O no hydrogen 3.741 N/A CYS 200.A SG THR 469.A O no hydrogen 3.596 N/A GLU 201.A N ARG 197.A O no hydrogen 3.312 N/A GLU 201.A N TYR 198.A O no hydrogen 2.921 N/A ARG 202.A N TYR 198.A O no hydrogen 3.135 N/A ARG 202.A NE HIS 208.A O no hydrogen 2.625 N/A ARG 202.A NH1 GLU 144.A OE2 no hydrogen 2.743 N/A LEU 203.A N ASP 199.A O no hydrogen 3.261 N/A SER 204.A N CYS 200.A O no hydrogen 3.017 N/A SER 204.A OG CYS 200.A O no hydrogen 2.901 N/A SER 204.A OG TYR 537.A OH no hydrogen 2.954 N/A ASN 205.A N GLU 201.A O no hydrogen 3.013 N/A ASN 205.A N ARG 202.A O no hydrogen 2.888 N/A ASN 205.A ND2 GLU 201.A O no hydrogen 3.024 N/A GLY 206.A N LEU 203.A O no hydrogen 3.096 N/A MET 207.A N ARG 202.A O no hydrogen 2.854 N/A HIS 208.A ND1 GLU 456.A OE2 no hydrogen 2.990 N/A ARG 209.A NH1 GLU 465.A OE1 no hydrogen 3.160 N/A ARG 209.A NH2 GLU 465.A OE1 no hydrogen 3.526 N/A MET 210.A N ASP 199.A OD1 no hydrogen 3.168 N/A PHE 213.A N ASN 349.A O no hydrogen 2.926 N/A ASP 217.A N ASN 215.A OD1 no hydrogen 2.767 N/A GLU 218.A N ASN 215.A O no hydrogen 3.308 N/A LEU 220.A N LEU 243.A O no hydrogen 2.709 N/A GLY 222.A N ASP 241.A OD1 no hydrogen 2.820 N/A TYR 223.A N ARG 239.A O no hydrogen 2.789 N/A TYR 223.A OH GLU 152.A OE2 no hydrogen 3.135 N/A THR 228.A OG1 SER 114.A OG no hydrogen 2.654 N/A HIS 229.A N LYS 234.A O no hydrogen 2.672 N/A HIS 229.A NE2 GLU 78.A OE2 no hydrogen 3.143 N/A VAL 230.A N ASP 109.A OD2 no hydrogen 3.014 N/A SER 232.A N HIS 229.A O no hydrogen 2.942 N/A SER 232.A OG GLY 35.A O no hydrogen 3.168 N/A SER 232.A OG HIS 229.A O no hydrogen 3.270 N/A GLY 233.A N HIS 229.A O no hydrogen 2.959 N/A LYS 234.A NZ GLU 331.A OE2 no hydrogen 3.014 N/A TYR 235.A OH GLU 330.A OE1 no hydrogen 2.740 N/A TYR 236.A N LEU 227.A O no hydrogen 3.427 N/A TYR 236.A OH ASP 337.A OD2 no hydrogen 2.797 N/A SER 237.A N PRO 332.A O no hydrogen 3.178 N/A SER 237.A OG HIS 322.A NE2 no hydrogen 3.373 N/A SER 237.A OG GLU 330.A OE1 no hydrogen 3.210 N/A SER 237.A OG GLU 331.A O no hydrogen 2.832 N/A ARG 239.A N TYR 223.A O no hydrogen 3.043 N/A ARG 239.A NE ALA 221.A O no hydrogen 2.778 N/A ARG 239.A NH1 ASP 344.A OD1 no hydrogen 3.335 N/A ARG 239.A NH1 ASP 344.A OD2 no hydrogen 2.826 N/A ARG 239.A NH2 ALA 221.A O no hydrogen 2.825 N/A ARG 239.A NH2 ASP 344.A OD1 no hydrogen 2.820 N/A GLY 242.A N LEU 220.A O no hydrogen 3.184 N/A LYS 244.A NZ ASP 217.A O no hydrogen 2.799 N/A LEU 248.A N ILE 251.A O no hydrogen 2.871 N/A ILE 251.A N LEU 248.A O no hydrogen 3.363 N/A GLU 252.A N GLU 255.A OE1 no hydrogen 3.129 N/A ILE 253.A N ASP 247.A OD1 no hydrogen 2.959 N/A GLU 255.A N GLU 252.A O no hydrogen 2.950 N/A MET 256.A N ILE 253.A O no hydrogen 2.796 N/A VAL 257.A N ILE 253.A O no hydrogen 3.214 N/A ARG 258.A N SER 254.A O no hydrogen 3.156 N/A MET 259.A N GLU 255.A O no hydrogen 3.083 N/A ARG 260.A N MET 256.A O no hydrogen 2.927 N/A ARG 260.A NE GLU 261.A OE2 no hydrogen 2.776 N/A ARG 260.A NH2 GLU 261.A OE2 no hydrogen 2.874 N/A GLU 261.A N VAL 257.A O no hydrogen 2.961 N/A ARG 262.A N ARG 258.A O no hydrogen 3.067 N/A ARG 262.A NH1 TYR 306.A O no hydrogen 3.048 N/A ILE 263.A N MET 259.A O no hydrogen 3.040 N/A LEU 264.A N ARG 260.A O no hydrogen 3.096 N/A ASP 265.A N GLU 261.A O no hydrogen 3.207 N/A SER 266.A N ARG 262.A O no hydrogen 3.427 N/A SER 266.A OG ARG 262.A O no hydrogen 3.500 N/A SER 266.A OG TYR 307.A OH no hydrogen 2.855 N/A ILE 267.A N ILE 263.A O no hydrogen 3.144 N/A HIS 268.A N LEU 264.A O no hydrogen 2.976 N/A LEU 269.A N ASP 265.A O no hydrogen 2.780 N/A GLY 270.A N SER 266.A O no hydrogen 2.714 N/A VAL 272.A N LYS 280.A O no hydrogen 2.794 N/A ILE 273.A N TYR 307.A OH no hydrogen 3.173 N/A SER 274.A N SER 278.A O no hydrogen 2.701 N/A GLU 275.A N VAL 302.A O no hydrogen 3.298 N/A GLY 277.A N SER 274.A O no hydrogen 2.974 N/A SER 278.A OG ASP 276.A OD1 no hydrogen 2.679 N/A LYS 280.A N VAL 272.A O no hydrogen 2.932 N/A LEU 282.A N GLY 270.A O no hydrogen 2.927 N/A LEU 285.A N ASP 283.A OD2 no hydrogen 3.318 N/A HIS 286.A N ASP 283.A OD2 no hydrogen 3.145 N/A HIS 286.A ND1 ASP 283.A OD2 no hydrogen 3.006 N/A GLY 287.A N ASP 283.A O no hydrogen 2.653 N/A ILE 290.A N HIS 286.A O no hydrogen 3.079 N/A LEU 291.A N GLY 287.A O no hydrogen 3.116 N/A GLY 292.A N THR 288.A O no hydrogen 2.869 N/A ALA 293.A N ASP 289.A O no hydrogen 3.154 N/A LEU 294.A N ILE 290.A O no hydrogen 3.207 N/A LEU 294.A N LEU 291.A O no hydrogen 3.123 N/A VAL 295.A N LEU 291.A O no hydrogen 2.976 N/A GLU 296.A N GLY 292.A O no hydrogen 3.063 N/A SER 297.A N ASN 309.A OD1 no hydrogen 3.008 N/A SER 297.A OG GLY 308.A O no hydrogen 3.024 N/A SER 297.A OG ASN 309.A OD1 no hydrogen 3.089 N/A SER 298.A N ALA 293.A O no hydrogen 2.736 N/A SER 298.A OG ALA 293.A O no hydrogen 3.345 N/A TYR 299.A N SER 169.A O no hydrogen 2.895 N/A GLU 300.A N SER 298.A OG no hydrogen 3.285 N/A SER 301.A N SER 298.A O no hydrogen 3.088 N/A ASN 303.A N SER 301.A OG no hydrogen 3.284 N/A ASN 303.A ND2 ILE 273.A O no hydrogen 2.948 N/A TYR 306.A N ASN 303.A OD1 no hydrogen 3.394 N/A TYR 307.A N ASN 303.A O no hydrogen 3.087 N/A TYR 307.A OH SER 266.A OG no hydrogen 2.855 N/A GLY 308.A N HIS 304.A O no hydrogen 2.963 N/A HIS 311.A N VAL 295.A O no hydrogen 3.143 N/A HIS 311.A ND1 ASN 312.A OD1 no hydrogen 2.992 N/A HIS 311.A NE2 HIS 351.A NE2 no hydrogen 2.728 N/A ASN 312.A N GLU 296.A O no hydrogen 3.000 N/A ASN 312.A ND2 ASN 309.A OD1 no hydrogen 3.564 N/A TRP 313.A N ASN 309.A O no hydrogen 3.026 N/A GLY 314.A N LEU 310.A O no hydrogen 3.078 N/A HIS 315.A N HIS 311.A O no hydrogen 3.316 N/A HIS 315.A ND1 MET 335.A O no hydrogen 2.893 N/A VAL 316.A N ASN 312.A O no hydrogen 3.179 N/A THR 317.A N TRP 313.A O no hydrogen 2.812 N/A THR 317.A OG1 TRP 313.A O no hydrogen 3.164 N/A THR 317.A OG1 GLY 314.A O no hydrogen 3.484 N/A MET 318.A N GLY 314.A O no hydrogen 3.053 N/A ALA 319.A N HIS 315.A O no hydrogen 3.059 N/A ARG 320.A N VAL 316.A O no hydrogen 3.088 N/A HIS 322.A NE2 GLU 331.A O no hydrogen 2.858 N/A ASP 323.A N ARG 320.A O no hydrogen 2.849 N/A GLY 326.A N ASP 323.A O no hydrogen 2.955 N/A ARG 327.A N ASP 325.A OD1 no hydrogen 3.045 N/A ARG 327.A NE ASP 325.A OD1 no hydrogen 3.090 N/A ARG 327.A NE ASP 325.A OD2 no hydrogen 3.209 N/A ARG 327.A NH2 ASP 325.A OD2 no hydrogen 2.951 N/A PHE 328.A N ASP 323.A OD1 no hydrogen 2.989 N/A HIS 329.A N GLY 326.A O no hydrogen 3.001 N/A GLU 330.A N ASP 323.A OD2 no hydrogen 3.128 N/A GLY 333.A N ALA 319.A O no hydrogen 2.925 N/A SER 336.A N GLY 333.A O no hydrogen 3.134 N/A SER 336.A OG GLY 333.A O no hydrogen 2.818 N/A ASP 337.A N VAL 334.A O no hydrogen 3.397 N/A SER 339.A N ASP 337.A OD1 no hydrogen 2.977 N/A SER 339.A OG ASP 337.A OD1 no hydrogen 2.664 N/A THR 340.A N ASP 337.A O no hydrogen 3.306 N/A THR 340.A OG1 VAL 334.A O no hydrogen 2.789 N/A THR 340.A OG1 ASP 337.A O no hydrogen 3.484 N/A SER 341.A N ASP 337.A O no hydrogen 3.031 N/A SER 341.A OG ASP 337.A O no hydrogen 3.146 N/A ARG 343.A N THR 340.A O no hydrogen 2.978 N/A ILE 346.A N ASP 344.A OD1 no hydrogen 3.293 N/A PHE 347.A N ASP 344.A O no hydrogen 2.992 N/A TYR 348.A N PRO 345.A O no hydrogen 3.303 N/A TYR 348.A OH LEU 342.A O no hydrogen 2.788 N/A TRP 350.A N ILE 346.A O no hydrogen 3.080 N/A TRP 350.A NE1 HIS 311.A O no hydrogen 3.189 N/A HIS 351.A N PHE 347.A O no hydrogen 2.935 N/A HIS 351.A ND1 PHE 347.A O no hydrogen 3.169 N/A HIS 351.A NE2 HIS 311.A NE2 no hydrogen 2.728 N/A ARG 352.A N TYR 348.A O no hydrogen 2.904 N/A ARG 352.A NH1 ASP 355.A OD2 no hydrogen 2.724 N/A ARG 352.A NH1 ARG 468.A O no hydrogen 3.472 N/A ARG 352.A NH2 ASP 199.A OD2 no hydrogen 3.116 N/A ARG 352.A NH2 ARG 468.A O no hydrogen 2.852 N/A PHE 353.A N ASN 349.A O no hydrogen 3.105 N/A ILE 354.A N TRP 350.A O no hydrogen 3.017 N/A ASP 355.A N HIS 351.A O no hydrogen 2.965 N/A ASN 356.A N ARG 352.A O no hydrogen 2.930 N/A ILE 357.A N PHE 353.A O no hydrogen 3.302 N/A ILE 357.A N ILE 354.A O no hydrogen 2.880 N/A PHE 358.A N ILE 354.A O no hydrogen 3.392 N/A HIS 359.A N ASP 355.A O no hydrogen 3.002 N/A GLU 360.A N ASN 356.A O no hydrogen 3.121 N/A TYR 361.A OH LEU 282.A O no hydrogen 3.244 N/A LYS 362.A N PHE 358.A O no hydrogen 2.934 N/A LYS 362.A NZ THR 288.A OG1 no hydrogen 3.096 N/A LYS 362.A NZ ASP 580.A OD2 no hydrogen 3.304 N/A ASN 363.A N HIS 359.A O no hydrogen 2.933 N/A THR 364.A N TYR 361.A O no hydrogen 2.879 N/A THR 364.A OG1 TYR 361.A O no hydrogen 2.618 N/A LEU 365.A N LYS 362.A O no hydrogen 3.039 N/A TYR 368.A OH ASP 580.A OD1 no hydrogen 2.830 N/A TYR 368.A OH ASP 580.A OD2 no hydrogen 3.267 N/A VAL 372.A N ASP 369.A O no hydrogen 2.835 N/A LEU 373.A N ASP 369.A O no hydrogen 3.343 N/A ASN 374.A N HIS 370.A O no hydrogen 2.818 N/A ASN 374.A ND2 ASN 595.A OD1 no hydrogen 3.344 N/A ILE 378.A N PHE 375.A O no hydrogen 3.357 N/A GLN 379.A N GLN 435.A O no hydrogen 2.957 N/A VAL 380.A N ASN 594.A O no hydrogen 2.923 N/A GLN 381.A N ASN 433.A O no hydrogen 2.890 N/A THR 384.A N ALA 431.A O no hydrogen 3.100 N/A THR 384.A OG1 ASP 382.A OD2 no hydrogen 3.499 N/A LEU 385.A N ASN 391.A OD1 no hydrogen 2.742 N/A HIS 386.A N SER 429.A O no hydrogen 2.832 N/A HIS 386.A ND1 ASP 390.A OD1 no hydrogen 3.179 N/A ARG 388.A N GLU 426.A OE1 no hydrogen 2.968 N/A ASN 391.A N LEU 385.A O no hydrogen 2.779 N/A VAL 392.A N VAL 389.A O no hydrogen 3.067 N/A VAL 393.A N LYS 602.A O no hydrogen 2.907 N/A HIS 394.A ND1 GLU 426.A OE2 no hydrogen 2.861 N/A THR 395.A N LYS 604.A O no hydrogen 3.210 N/A THR 395.A OG1 LYS 529.A O no hydrogen 2.792 N/A PHE 396.A N ASP 424.A O no hydrogen 2.898 N/A ARG 398.A N HIS 422.A O no hydrogen 3.006 N/A ARG 398.A NE ASP 424.A OD2 no hydrogen 2.976 N/A GLN 400.A N TYR 420.A O no hydrogen 2.784 N/A LEU 402.A N ALA 418.A O no hydrogen 2.732 N/A LEU 404.A N ILE 416.A O no hydrogen 2.842 N/A LYS 405.A N GLU 403.A OE2 no hydrogen 3.139 N/A LYS 405.A NZ ARG 414.A O no hydrogen 2.854 N/A HIS 406.A ND1 GLU 14.A OE2 no hydrogen 2.925 N/A GLY 407.A N LEU 404.A O no hydrogen 3.037 N/A ILE 408.A N LEU 404.A O no hydrogen 2.951 N/A GLY 411.A N ASN 409.A OD1 no hydrogen 3.285 N/A ALA 413.A N PRO 410.A O no hydrogen 3.230 N/A ARG 414.A N GLU 127.A O no hydrogen 3.031 N/A SER 415.A OG GLU 403.A OE1 no hydrogen 3.398 N/A ILE 416.A N GLU 403.A OE2 no hydrogen 3.178 N/A LYS 417.A N ILE 130.A O no hydrogen 3.206 N/A LYS 417.A NZ GLU 401.A OE1 no hydrogen 3.031 N/A ALA 418.A N LEU 402.A O no hydrogen 2.832 N/A ARG 419.A N VAL 132.A O no hydrogen 2.899 N/A TYR 420.A N GLN 400.A O no hydrogen 2.839 N/A HIS 422.A N ARG 398.A O no hydrogen 2.825 N/A HIS 422.A ND1 LEU 423.A O no hydrogen 2.815 N/A ASP 424.A N PHE 396.A O no hydrogen 2.781 N/A HIS 425.A N ASP 424.A OD1 no hydrogen 2.952 N/A HIS 425.A ND1 GLU 426.A O no hydrogen 2.917 N/A HIS 425.A NE2 SER 523.A O no hydrogen 3.072 N/A GLU 426.A N HIS 394.A O no hydrogen 2.923 N/A PHE 428.A N SER 491.A OG no hydrogen 3.087 N/A SER 429.A N HIS 386.A O no hydrogen 2.962 N/A TYR 430.A N ARG 489.A O no hydrogen 2.972 N/A ALA 431.A N THR 384.A O no hydrogen 2.888 N/A VAL 432.A N VAL 487.A O no hydrogen 2.846 N/A ASN 433.A N ASP 382.A O no hydrogen 2.922 N/A VAL 434.A N ASN 485.A O no hydrogen 3.026 N/A GLN 435.A N GLN 379.A O no hydrogen 2.843 N/A GLN 435.A NE2 ASN 437.A OD1 no hydrogen 2.819 N/A ASN 436.A N GLY 483.A O no hydrogen 2.947 N/A ASN 436.A ND2 SER 440.A O no hydrogen 2.901 N/A ASN 436.A ND2 LEU 480.A O no hydrogen 3.233 N/A ASN 437.A N ASP 377.A O no hydrogen 2.801 N/A SER 438.A N ASN 436.A OD1 no hydrogen 2.997 N/A SER 438.A OG ASN 436.A OD1 no hydrogen 3.326 N/A SER 438.A OG SER 440.A O no hydrogen 3.068 N/A SER 440.A N SER 438.A OG no hydrogen 2.943 N/A LYS 442.A N LEU 480.A O no hydrogen 2.829 N/A HIS 443.A ND1 ASP 479.A OD1 no hydrogen 2.797 N/A ALA 444.A N THR 478.A O no hydrogen 2.844 N/A THR 445.A N THR 544.A O no hydrogen 3.113 N/A THR 445.A OG1 ASP 549.A OD2 no hydrogen 2.752 N/A VAL 446.A N PHE 476.A O no hydrogen 2.858 N/A ARG 447.A N MET 542.A O no hydrogen 2.895 N/A ARG 447.A NE THR 544.A OG1 no hydrogen 3.009 N/A ARG 447.A NH1 ASP 571.A OD1 no hydrogen 3.430 N/A ARG 447.A NH1 ASP 571.A OD2 no hydrogen 2.798 N/A ARG 447.A NH2 ASP 571.A OD1 no hydrogen 2.883 N/A ILE 448.A N ASP 474.A O no hydrogen 2.820 N/A PHE 449.A N PHE 540.A O no hydrogen 2.979 N/A LEU 450.A N ILE 471.A O no hydrogen 2.901 N/A ALA 451.A N HIS 538.A O no hydrogen 2.907 N/A LYS 453.A N GLU 536.A O no hydrogen 3.151 N/A LYS 453.A NZ TYR 454.A OH no hydrogen 3.547 N/A LYS 453.A NZ ASP 600.A OD2 no hydrogen 3.128 N/A ASP 455.A N ASN 459.A O no hydrogen 2.824 N/A GLU 456.A N GLU 456.A OE1 no hydrogen 3.004 N/A LEU 457.A N ASP 455.A OD1 no hydrogen 3.007 N/A GLY 458.A N ASP 455.A O no hydrogen 2.838 N/A ASN 459.A N ASP 455.A OD1 no hydrogen 2.966 N/A ASN 459.A ND2 ASP 455.A OD1 no hydrogen 3.278 N/A ASN 459.A ND2 ASP 455.A OD2 no hydrogen 3.138 N/A ILE 461.A N LYS 453.A O no hydrogen 3.106 N/A LYS 462.A N GLU 465.A OE2 no hydrogen 2.951 N/A LYS 462.A NZ GLU 586.A OE2 no hydrogen 3.181 N/A ALA 463.A N GLU 586.A O no hydrogen 3.037 N/A LEU 466.A N LYS 462.A O no hydrogen 2.957 N/A ARG 467.A N ASP 464.A O no hydrogen 3.169 N/A ARG 467.A NE ASP 464.A OD1 no hydrogen 3.053 N/A ARG 467.A NH2 ASN 363.A OD1 no hydrogen 3.396 N/A ARG 467.A NH2 ASP 464.A OD1 no hydrogen 3.384 N/A ARG 467.A NH2 ASP 464.A OD2 no hydrogen 3.314 N/A ARG 468.A N GLU 465.A O no hydrogen 3.209 N/A ARG 468.A NH1 ASN 356.A OD1 no hydrogen 3.230 N/A ARG 468.A NH2 ASN 356.A OD1 no hydrogen 2.713 N/A THR 469.A N LEU 466.A O no hydrogen 3.202 N/A ILE 471.A N LEU 450.A O no hydrogen 2.948 N/A GLU 472.A N GLN 193.A OE1 no hydrogen 2.859 N/A LEU 473.A N ILE 448.A O no hydrogen 2.829 N/A ASP 474.A N ILE 448.A O no hydrogen 3.318 N/A LYS 475.A N ASP 474.A OD1 no hydrogen 3.132 N/A LYS 475.A N SER 495.A OG no hydrogen 3.135 N/A LYS 475.A NZ ASP 571.A OD2 no hydrogen 3.068 N/A PHE 476.A N VAL 446.A O no hydrogen 3.006 N/A LYS 477.A NZ HIS 443.A ND1 no hydrogen 3.147 N/A LYS 477.A NZ ASP 479.A OD1 no hydrogen 2.891 N/A THR 478.A N ALA 444.A O no hydrogen 2.825 N/A LEU 480.A N LYS 442.A O no hydrogen 2.820 N/A HIS 481.A N ASN 485.A OD1 no hydrogen 2.809 N/A GLY 483.A N ASN 436.A O no hydrogen 2.906 N/A ASN 485.A N VAL 434.A O no hydrogen 2.821 N/A ASN 485.A ND2 VAL 434.A O no hydrogen 3.678 N/A ASN 485.A ND2 HIS 481.A O no hydrogen 2.848 N/A ASN 485.A ND2 GLY 483.A O no hydrogen 3.003 N/A VAL 487.A N VAL 432.A O no hydrogen 2.803 N/A ARG 489.A N TYR 430.A O no hydrogen 3.305 N/A ARG 489.A NE ASP 474.A OD2 no hydrogen 2.959 N/A ARG 489.A NH2 ASP 474.A OD1 no hydrogen 2.942 N/A SER 491.A N PHE 428.A O no hydrogen 2.871 N/A SER 491.A OG PHE 428.A O no hydrogen 3.042 N/A ASP 493.A N HIS 490.A O no hydrogen 2.829 N/A SER 494.A N SER 491.A O no hydrogen 3.091 N/A SER 494.A OG LEU 473.A O no hydrogen 2.785 N/A SER 495.A N ASP 474.A OD1 no hydrogen 3.130 N/A SER 495.A OG ASP 474.A OD1 no hydrogen 3.402 N/A SER 495.A OG LYS 475.A O no hydrogen 3.147 N/A SER 495.A OG SER 560.A OG no hydrogen 3.152 N/A VAL 496.A N SER 494.A OG no hydrogen 3.373 N/A THR 497.A N SER 494.A O no hydrogen 3.411 N/A THR 497.A OG1 SER 494.A O no hydrogen 3.220 N/A LEU 498.A N TRP 521.A O no hydrogen 2.789 N/A SER 499.A N ASP 557.A OD1 no hydrogen 3.129 N/A SER 499.A N ASP 557.A OD2 no hydrogen 3.053 N/A SER 499.A OG ASP 557.A OD1 no hydrogen 3.161 N/A THR 503.A N ASP 506.A OD2 no hydrogen 3.323 N/A PHE 504.A N GLU 105.A OE1 no hydrogen 3.060 N/A ASP 506.A N THR 503.A OG1 no hydrogen 2.962 N/A LEU 507.A N THR 503.A O no hydrogen 3.084 N/A LEU 508.A N PHE 504.A O no hydrogen 2.962 N/A HIS 509.A N GLU 505.A O no hydrogen 3.234 N/A VAL 511.A N ASP 506.A O no hydrogen 2.757 N/A GLY 512.A N ASP 506.A O no hydrogen 2.843 N/A TRP 521.A N VAL 496.A O no hydrogen 2.975 N/A TRP 521.A NE1 LEU 525.A O no hydrogen 3.114 N/A HIS 524.A NE2 ASP 153.A OD1 no hydrogen 2.896 N/A HIS 524.A NE2 ASP 153.A OD2 no hydrogen 3.314 N/A LEU 525.A N PRO 522.A O no hydrogen 2.935 N/A LEU 526.A N SER 523.A O no hydrogen 3.192 N/A LYS 529.A N GLU 201.A OE1 no hydrogen 2.902 N/A GLY 530.A N SER 204.A OG no hydrogen 2.918 N/A LYS 533.A N ASN 531.A OD1 no hydrogen 2.997 N/A GLY 534.A N ASN 531.A O no hydrogen 2.890 N/A MET 535.A N ILE 603.A O no hydrogen 2.680 N/A TYR 537.A N ILE 601.A O no hydrogen 3.229 N/A TYR 537.A OH SER 204.A OG no hydrogen 2.954 N/A HIS 538.A N ALA 451.A O no hydrogen 2.744 N/A HIS 538.A ND1 ASP 600.A OD1 no hydrogen 3.162 N/A LEU 539.A N LYS 599.A O no hydrogen 2.928 N/A PHE 540.A N PHE 449.A O no hydrogen 2.936 N/A VAL 541.A N PHE 597.A O no hydrogen 3.000 N/A MET 542.A N ARG 447.A O no hydrogen 2.861 N/A LEU 543.A N ASN 595.A O no hydrogen 2.863 N/A THR 544.A N THR 445.A O no hydrogen 2.984 N/A THR 544.A OG1 ASP 549.A OD2 no hydrogen 2.883 N/A TRP 546.A N HIS 443.A O no hydrogen 2.936 N/A ASP 547.A N ASP 545.A OD1 no hydrogen 2.979 N/A LYS 548.A N ASP 545.A O no hydrogen 2.862 N/A ASP 549.A N ASP 545.A O no hydrogen 3.069 N/A ASP 549.A N TRP 546.A O no hydrogen 3.067 N/A LYS 550.A N TRP 546.A O no hydrogen 2.952 N/A CYS 555.A N SER 514.A O no hydrogen 2.894 N/A VAL 556.A N GLU 515.A OE2 no hydrogen 3.101 N/A ASP 557.A N GLU 515.A OE1 no hydrogen 3.125 N/A VAL 559.A N VAL 556.A O no hydrogen 3.319 N/A SER 560.A N SER 495.A O no hydrogen 3.168 N/A SER 560.A OG GLU 472.A OE2 no hydrogen 2.686 N/A SER 560.A OG SER 495.A OG no hydrogen 3.152 N/A TYR 561.A N ALA 558.A O no hydrogen 3.193 N/A TYR 561.A OH GLN 193.A OE1 no hydrogen 2.893 N/A CYS 562.A N ALA 558.A O no hydrogen 2.934 N/A GLY 563.A N VAL 559.A O no hydrogen 2.731 N/A ARG 565.A N ALA 554.A O no hydrogen 3.048 N/A HIS 567.A ND1 LYS 568.A O no hydrogen 2.694 N/A TYR 569.A N ASP 181.A OD2 no hydrogen 2.948 N/A TYR 569.A OH SER 560.A O no hydrogen 2.788 N/A ASP 571.A N TYR 569.A O no hydrogen 2.862 N/A LYS 572.A N ASP 549.A O no hydrogen 2.787 N/A LYS 573.A N ASP 571.A OD1 no hydrogen 3.168 N/A LYS 573.A NZ ASP 549.A OD1 no hydrogen 2.860 N/A MET 575.A N GLU 185.A OE2 no hydrogen 3.044 N/A PHE 577.A N PRO 574.A O no hydrogen 2.943 N/A PHE 579.A N GLY 576.A O no hydrogen 2.853 N/A ARG 581.A NH1 LYS 366.A O no hydrogen 2.680 N/A ILE 583.A N ASP 464.A OD1 no hydrogen 2.905 N/A HIS 587.A ND1 GLU 460.A OE1 no hydrogen 2.777 N/A ASP 590.A N HIS 587.A O no hydrogen 3.113 N/A PHE 591.A N ILE 588.A O no hydrogen 2.973 N/A LEU 592.A N SER 589.A O no hydrogen 3.390 N/A THR 593.A OG1 ASN 595.A OD1 no hydrogen 3.139 N/A ASN 595.A ND2 LEU 373.A O no hydrogen 3.149 N/A ASN 595.A ND2 LEU 543.A O no hydrogen 2.832 N/A MET 596.A N THR 593.A O no hydrogen 3.217 N/A PHE 597.A N VAL 541.A O no hydrogen 2.719 N/A LYS 599.A N LEU 539.A O no hydrogen 2.821 N/A LYS 599.A NZ VAL 383.A O no hydrogen 2.780 N/A ILE 601.A N TYR 537.A O no hydrogen 3.179 N/A LYS 602.A N ASN 391.A O no hydrogen 3.042 N/A ILE 603.A N MET 535.A O no hydrogen 2.951 N/A LYS 604.A N VAL 393.A O no hydrogen 3.099 N/A PHE 605.A N ASN 531.A O no hydrogen 2.939 N/A HIS 606.A N THR 395.A O no hydrogen 2.739 N/A