Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7u6a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG ASN 126.A OD1 no hydrogen 2.910 N/A SER 5.A OG LEU 323.A O no hydrogen 3.242 N/A ALA 6.A N ASN 126.A O no hydrogen 2.918 N/A LEU 7.A N LYS 50.A O no hydrogen 2.998 N/A ILE 8.A N MET 128.A O no hydrogen 3.043 N/A GLU 12.A N ASP 10.A OD1 no hydrogen 3.039 N/A MET 13.A N ASP 10.A O no hydrogen 3.109 N/A SER 14.A N GLU 11.A O no hydrogen 2.999 N/A SER 14.A OG GLU 11.A O no hydrogen 2.561 N/A ARG 15.A N GLU 12.A O no hydrogen 2.820 N/A TYR 16.A OH GLU 28.A OE1 no hydrogen 3.281 N/A GLU 24.A N ASP 22.A OD1 no hydrogen 3.044 N/A CYS 25.A N ASP 22.A O no hydrogen 3.007 N/A CYS 25.A SG ASP 22.A OD2 no hydrogen 3.493 N/A GLU 28.A N CYS 25.A O no hydrogen 3.398 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.439 N/A ARG 32.A N VAL 29.A O no hydrogen 3.291 N/A ARG 32.A NE GLU 28.A OE2 no hydrogen 2.985 N/A ARG 32.A NH1 GLU 304.A O no hydrogen 3.347 N/A ARG 32.A NH1 GLY 306.A O no hydrogen 3.268 N/A ARG 32.A NH2 GLU 28.A OE2 no hydrogen 2.909 N/A LEU 33.A N PRO 30.A O no hydrogen 3.064 N/A THR 34.A N PRO 30.A O no hydrogen 3.482 N/A THR 34.A OG1 GLU 31.A O no hydrogen 3.276 N/A VAL 35.A N GLU 31.A O no hydrogen 2.753 N/A SER 36.A N ARG 32.A O no hydrogen 3.200 N/A SER 36.A OG ARG 32.A O no hydrogen 2.232 N/A TYR 37.A N LEU 33.A O no hydrogen 3.001 N/A GLU 38.A N THR 34.A O no hydrogen 2.779 N/A ALA 39.A N VAL 35.A O no hydrogen 2.927 N/A LEU 40.A N SER 36.A O no hydrogen 3.152 N/A ARG 41.A N TYR 37.A O no hydrogen 2.931 N/A THR 42.A N GLU 38.A O no hydrogen 2.918 N/A THR 42.A OG1 GLU 38.A O no hydrogen 3.075 N/A HIS 43.A N ALA 39.A O no hydrogen 3.332 N/A GLY 44.A N ARG 41.A O no hydrogen 2.773 N/A LEU 45.A N LEU 40.A O no hydrogen 2.868 N/A ALA 46.A N LEU 40.A O no hydrogen 3.142 N/A GLN 47.A N GLN 47.A OE1 no hydrogen 2.516 N/A GLN 47.A NE2 ARG 41.A O no hydrogen 3.201 N/A ARG 48.A N LEU 45.A O no hydrogen 3.082 N/A ARG 48.A NH1 ASP 326.A OD1 no hydrogen 2.914 N/A ARG 48.A NH2 ASP 326.A OD1 no hydrogen 3.442 N/A ARG 48.A NH2 ASP 326.A OD2 no hydrogen 2.826 N/A CYS 49.A N ALA 46.A O no hydrogen 3.067 N/A CYS 49.A SG LEU 45.A O no hydrogen 3.319 N/A LYS 50.A N SER 5.A O no hydrogen 3.032 N/A VAL 52.A N LEU 7.A O no hydrogen 3.453 N/A ARG 55.A NH1 GLN 56.A O no hydrogen 3.029 N/A ARG 55.A NH1 GLU 61.A OE1 no hydrogen 3.086 N/A ARG 55.A NH1 GLU 61.A OE2 no hydrogen 3.420 N/A ARG 55.A NH2 GLU 61.A OE2 no hydrogen 3.142 N/A ALA 57.A N LYS 106.A O no hydrogen 2.992 N/A THR 58.A N GLU 61.A OE1 no hydrogen 2.705 N/A GLU 61.A N THR 58.A OG1 no hydrogen 3.256 N/A ILE 62.A N THR 58.A O no hydrogen 2.959 N/A LEU 63.A N GLU 59.A O no hydrogen 3.050 N/A LEU 64.A N GLU 61.A O no hydrogen 3.114 N/A ALA 65.A N ILE 62.A O no hydrogen 3.214 N/A HIS 66.A N ILE 62.A O no hydrogen 3.076 N/A SER 67.A N ARG 140.A O.A no hydrogen 2.890 N/A SER 67.A N ARG 140.A O.B no hydrogen 2.923 N/A SER 67.A OG GLU 69.A OE2 no hydrogen 3.430 N/A SER 67.A OG SER 141.A OG no hydrogen 2.853 N/A TYR 70.A N SER 67.A OG no hydrogen 3.127 N/A TYR 70.A OH VAL 148.A O no hydrogen 2.773 N/A LEU 71.A N SER 67.A O no hydrogen 2.909 N/A GLU 72.A N GLU 68.A O no hydrogen 2.804 N/A ALA 73.A N GLU 69.A O no hydrogen 3.133 N/A VAL 74.A N TYR 70.A O no hydrogen 2.925 N/A LYS 75.A N LEU 71.A O no hydrogen 2.792 N/A GLN 76.A N ALA 73.A O no hydrogen 3.169 N/A THR 77.A N VAL 74.A O no hydrogen 2.896 N/A THR 77.A OG1 VAL 74.A O no hydrogen 2.595 N/A GLY 79.A N GLN 76.A O no hydrogen 3.216 N/A MET 80.A N THR 77.A O no hydrogen 3.058 N/A ASN 81.A N GLU 84.A OE1 no hydrogen 3.128 N/A GLU 84.A N ASN 81.A OD1 no hydrogen 2.999 N/A LEU 85.A N ASN 81.A O no hydrogen 2.908 N/A MET 86.A N VAL 82.A O no hydrogen 2.760 N/A ALA 87.A N GLU 83.A O no hydrogen 2.947 N/A PHE 88.A N GLU 84.A O no hydrogen 2.953 N/A SER 89.A N LEU 85.A O no hydrogen 2.896 N/A SER 89.A OG LEU 85.A O no hydrogen 2.507 N/A LYS 90.A N MET 86.A O no hydrogen 3.105 N/A LYS 90.A NZ ASP 22.A OD2 no hydrogen 3.547 N/A LYS 91.A N PHE 88.A O no hydrogen 3.364 N/A TYR 92.A N SER 89.A O no hydrogen 3.030 N/A TYR 96.A OH GLU 28.A O no hydrogen 2.802 N/A TYR 96.A OH GLU 28.A OE1 no hydrogen 3.120 N/A PHE 97.A N SER 89.A OG no hydrogen 3.254 N/A GLN 99.A N GLN 99.A OE1.B no hydrogen 2.614 N/A GLN 99.A NE2.B MET 80.A O no hydrogen 3.372 N/A ASN 100.A N HIS 98.A ND1 no hydrogen 2.896 N/A ASN 100.A ND2 GLU 12.A OE2 no hydrogen 2.878 N/A ASN 100.A ND2 ARG 15.A O no hydrogen 2.949 N/A ILE 101.A N HIS 98.A O no hydrogen 3.023 N/A HIS 103.A ND1 ASN 100.A OD1 no hydrogen 2.905 N/A CYS 104.A N ASN 100.A O no hydrogen 2.968 N/A CYS 104.A SG GLU 12.A O no hydrogen 3.408 N/A CYS 104.A SG ASN 100.A O no hydrogen 3.437 N/A ALA 105.A N ILE 101.A O no hydrogen 2.685 N/A LYS 106.A N TYR 102.A O no hydrogen 2.995 N/A LYS 106.A NZ GLN 56.A OE1 no hydrogen 2.716 N/A LEU 107.A N HIS 103.A O no hydrogen 3.078 N/A ALA 108.A N CYS 104.A O no hydrogen 2.760 N/A ALA 109.A N ALA 105.A O no hydrogen 3.134 N/A GLY 110.A N LYS 106.A O no hydrogen 2.927 N/A ALA 111.A N LEU 107.A O no hydrogen 2.675 N/A THR 112.A N ALA 108.A O no hydrogen 3.121 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.754 N/A LEU 113.A N ALA 109.A O no hydrogen 2.901 N/A GLN 114.A N GLY 110.A O no hydrogen 2.653 N/A GLN 114.A NE2 PRO 53.A O no hydrogen 2.532 N/A LEU 115.A N ALA 111.A O no hydrogen 3.013 N/A VAL 116.A N THR 112.A O no hydrogen 3.013 N/A ASP 117.A N LEU 113.A O no hydrogen 2.917 N/A SER 118.A N GLN 114.A O no hydrogen 3.020 N/A SER 118.A OG GLN 114.A O no hydrogen 2.897 N/A VAL 119.A N LEU 115.A O no hydrogen 3.101 N/A MET 120.A N VAL 116.A O no hydrogen 2.817 N/A LYS 121.A N ASP 117.A O no hydrogen 2.818 N/A ARG 122.A N VAL 119.A O no hydrogen 3.049 N/A GLU 123.A N SER 118.A O no hydrogen 2.947 N/A VAL 124.A N SER 118.A O no hydrogen 3.352 N/A ARG 125.A N GLY 4.A O no hydrogen 2.848 N/A ASN 126.A ND2 LEU 323.A O no hydrogen 3.317 N/A GLY 127.A N MET 299.A O no hydrogen 3.062 N/A MET 128.A N ALA 6.A O no hydrogen 2.951 N/A ALA 129.A N VAL 301.A O no hydrogen 2.796 N/A LEU 130.A N ILE 8.A O no hydrogen 3.006 N/A ARG 132.A NE MET 13.A O no hydrogen 3.218 N/A ARG 132.A NH1 GLU 28.A OE2 no hydrogen 3.243 N/A ARG 132.A NH2 MET 13.A O no hydrogen 3.297 N/A ARG 132.A NH2 TYR 16.A O no hydrogen 2.470 N/A GLY 135.A N GLU 304.A OE1 no hydrogen 2.746 N/A HIS 136.A N GLU 304.A OE1 no hydrogen 3.112 N/A HIS 136.A ND1 ASP 172.A OD1 no hydrogen 2.780 N/A HIS 137.A ND1 GLN 179.A OE1 no hydrogen 2.907 N/A SER 138.A N GLY 135.A O no hydrogen 2.883 N/A SER 138.A OG VAL 148.A O no hydrogen 2.708 N/A GLN 139.A N ALA 142.A O no hydrogen 3.008 N/A GLN 139.A NE2 HIS 137.A O no hydrogen 3.237 N/A SER 141.A OG SER 67.A OG no hydrogen 2.853 N/A ALA 142.A N GLN 139.A O no hydrogen 3.051 N/A ASN 144.A N CYS 147.A O no hydrogen 3.062 N/A GLY 145.A N ASN 93.A O no hydrogen 3.089 N/A PHE 146.A N ALA 94.A O no hydrogen 2.905 N/A CYS 147.A N ASN 144.A O no hydrogen 2.914 N/A CYS 147.A SG GLY 145.A O no hydrogen 3.397 N/A ASN 150.A N HIS 66.A NE2 no hydrogen 3.047 N/A ASN 150.A ND2 HIS 136.A O no hydrogen 3.528 N/A ASN 150.A ND2 SER 138.A O no hydrogen 2.762 N/A ASN 151.A ND2 PRO 133.A O no hydrogen 3.135 N/A ALA 153.A N ASN 150.A OD1 no hydrogen 3.058 N/A PHE 154.A N ASN 150.A O no hydrogen 2.874 N/A ALA 155.A N ASN 151.A O no hydrogen 3.144 N/A ALA 156.A N VAL 152.A O no hydrogen 3.138 N/A LEU 157.A N ALA 153.A O no hydrogen 2.954 N/A TYR 158.A N PHE 154.A O no hydrogen 2.673 N/A TYR 158.A OH ASP 117.A OD1 no hydrogen 3.226 N/A TYR 158.A OH ASP 117.A OD2 no hydrogen 2.411 N/A ALA 159.A N ALA 155.A O no hydrogen 2.876 N/A LYS 160.A N ALA 156.A O no hydrogen 2.858 N/A LYS 160.A NZ ASP 188.A OD2 no hydrogen 2.912 N/A LYS 161.A N LEU 157.A O no hydrogen 2.899 N/A ASN 162.A N TYR 158.A O no hydrogen 2.952 N/A TYR 163.A N ALA 159.A O no hydrogen 3.113 N/A TYR 163.A OH ASP 117.A OD1 no hydrogen 2.459 N/A ASN 166.A N GLU 258.A OE2 no hydrogen 2.687 N/A ARG 167.A N GLU 258.A OE2 no hydrogen 3.172 N/A ARG 167.A NE PHE 255.A O no hydrogen 3.038 N/A ARG 167.A NE ASP 256.A O no hydrogen 2.767 N/A ARG 167.A NH2 ASP 256.A O no hydrogen 2.952 N/A ARG 167.A NH2 ASP 256.A OD2 no hydrogen 3.340 N/A ILE 168.A N SER 190.A O no hydrogen 2.841 N/A LEU 169.A N LEU 259.A O no hydrogen 3.014 N/A ILE 170.A N LEU 192.A O no hydrogen 2.837 N/A VAL 171.A N ILE 261.A O no hydrogen 2.918 N/A ASP 172.A N PHE 194.A O no hydrogen 2.908 N/A TRP 173.A N SER 263.A O no hydrogen 3.059 N/A ASP 174.A N ASP 172.A OD2 no hydrogen 3.145 N/A VAL 175.A N ASP 267.A OD1 no hydrogen 2.735 N/A HIS 176.A N ASP 174.A OD2 no hydrogen 2.731 N/A HIS 176.A ND1 ASP 267.A OD2 no hydrogen 3.088 N/A HIS 176.A NE2 GLU 274.A OE1 no hydrogen 2.832 N/A GLN 179.A N GLN 179.A OE1 no hydrogen 2.498 N/A GLN 179.A NE2 ASN 144.A OD1 no hydrogen 2.937 N/A GLN 182.A N GLY 178.A O no hydrogen 3.165 N/A GLN 182.A NE2 GLU 210.A O no hydrogen 3.084 N/A TYR 183.A N GLN 179.A O no hydrogen 2.769 N/A TYR 183.A OH GLU 210.A OE1 no hydrogen 2.735 N/A CYS 184.A N GLY 180.A O no hydrogen 3.063 N/A PHE 185.A N ILE 181.A O no hydrogen 3.197 N/A ASP 188.A N PHE 185.A O no hydrogen 2.931 N/A SER 190.A N ASP 188.A OD1 no hydrogen 2.867 N/A SER 190.A OG ASP 188.A OD1 no hydrogen 2.487 N/A LEU 192.A N ILE 168.A O no hydrogen 2.828 N/A TYR 193.A N PHE 224.A O no hydrogen 2.989 N/A TYR 193.A OH ASP 172.A OD1 no hydrogen 2.781 N/A PHE 194.A N ILE 170.A O no hydrogen 3.021 N/A SER 195.A N ILE 226.A O no hydrogen 2.881 N/A SER 195.A OG TRP 196.A O no hydrogen 3.367 N/A SER 195.A OG HIS 197.A ND1 no hydrogen 2.761 N/A TRP 196.A NE1 TRP 173.A O no hydrogen 3.004 N/A HIS 197.A N LEU 228.A O no hydrogen 3.172 N/A HIS 197.A ND1 SER 195.A OG no hydrogen 2.761 N/A HIS 197.A NE2 SER 211.A O no hydrogen 2.773 N/A ARG 198.A N VAL 175.A O no hydrogen 2.854 N/A ARG 198.A NE GLU 200.A OE1 no hydrogen 2.923 N/A ARG 198.A NH1 GLU 274.A O no hydrogen 2.816 N/A ARG 198.A NH2 GLU 200.A OE1 no hydrogen 3.087 N/A TYR 199.A N TRP 230.A O no hydrogen 2.857 N/A TYR 199.A OH LEU 208.A O no hydrogen 2.838 N/A GLU 200.A N TRP 230.A O no hydrogen 3.086 N/A HIS 201.A N ASN 231.A OD1 no hydrogen 2.881 N/A GLN 202.A NE2 ASN 207.A O no hydrogen 3.301 N/A SER 203.A N GLU 200.A O no hydrogen 3.014 N/A SER 203.A OG GLU 200.A O no hydrogen 2.362 N/A PHE 204.A N TYR 199.A O no hydrogen 2.964 N/A TRP 205.A NE1 ASN 93.A OD1 no hydrogen 2.597 N/A ASN 207.A N PHE 204.A O no hydrogen 2.904 N/A ASN 207.A ND2 GLN 202.A O no hydrogen 3.072 N/A GLU 210.A N GLU 210.A OE2 no hydrogen 2.841 N/A SER 211.A N LEU 208.A O no hydrogen 3.133 N/A SER 211.A OG HIS 177.A ND1 no hydrogen 2.804 N/A ASP 212.A N PRO 209.A O no hydrogen 3.352 N/A TYR 213.A N ASP 212.A OD1 no hydrogen 2.954 N/A SER 215.A N ASP 212.A O no hydrogen 3.241 N/A SER 215.A OG GLU 210.A O no hydrogen 2.811 N/A LYS 218.A N GLU 186.A O no hydrogen 2.827 N/A LYS 218.A NZ GLU 186.A OE1 no hydrogen 3.061 N/A LYS 218.A NZ GLU 186.A OE2 no hydrogen 3.363 N/A GLY 221.A N LYS 218.A O no hydrogen 2.767 N/A SER 222.A N GLY 219.A O no hydrogen 3.171 N/A SER 222.A OG GLY 219.A O no hydrogen 3.132 N/A GLY 223.A N VAL 216.A O no hydrogen 2.529 N/A PHE 224.A N GLY 221.A O no hydrogen 3.015 N/A ASN 225.A N VAL 216.A O no hydrogen 3.281 N/A ASN 225.A ND2 GLN 182.A OE1 no hydrogen 3.074 N/A ASN 225.A ND2 SER 215.A O no hydrogen 3.281 N/A ILE 226.A N TYR 193.A O no hydrogen 2.735 N/A ASN 227.A ND2 GLN 182.A OE1 no hydrogen 2.942 N/A ASN 227.A ND2 ASP 212.A O no hydrogen 3.231 N/A LEU 228.A N SER 195.A O no hydrogen 2.836 N/A TRP 230.A N HIS 197.A O no hydrogen 2.784 N/A GLY 234.A N GLU 276.A O no hydrogen 2.906 N/A THR 236.A N ASP 239.A OD2 no hydrogen 2.876 N/A THR 236.A OG1 ASP 239.A OD2 no hydrogen 3.305 N/A SER 238.A N THR 236.A OG1 no hydrogen 3.285 N/A SER 238.A OG GLY 335.A O no hydrogen 3.288 N/A TYR 240.A N THR 236.A O no hydrogen 3.086 N/A TYR 240.A OH SER 268.A O no hydrogen 2.537 N/A LEU 241.A N ASN 237.A O no hydrogen 2.903 N/A ALA 242.A N SER 238.A O no hydrogen 2.881 N/A ALA 243.A N ASP 239.A O no hydrogen 2.916 N/A PHE 244.A N TYR 240.A O no hydrogen 3.024 N/A PHE 245.A N LEU 241.A O no hydrogen 2.789 N/A HIS 246.A N ALA 242.A O no hydrogen 2.993 N/A HIS 246.A NE2 LEU 630.A O no hydrogen 3.075 N/A VAL 247.A N ALA 243.A O no hydrogen 3.018 N/A LEU 248.A N ALA 243.A O no hydrogen 3.133 N/A LEU 249.A N PHE 244.A O no hydrogen 2.870 N/A ALA 252.A N LEU 248.A O no hydrogen 2.758 N/A TYR 253.A N LEU 249.A O no hydrogen 2.980 N/A TYR 253.A OH LEU 290.A O no hydrogen 2.779 N/A PHE 255.A N VAL 251.A O no hydrogen 2.871 N/A ASP 256.A N ALA 252.A O no hydrogen 2.941 N/A GLU 258.A N ARG 167.A O no hydrogen 2.708 N/A VAL 260.A N LYS 298.A O no hydrogen 3.087 N/A ILE 261.A N LEU 169.A O no hydrogen 2.883 N/A VAL 262.A N CYS 300.A O no hydrogen 2.769 N/A SER 263.A N VAL 171.A O no hydrogen 2.754 N/A SER 263.A OG GLU 304.A OE2 no hydrogen 2.828 N/A ALA 264.A N VAL 302.A O no hydrogen 2.870 N/A PHE 266.A N GLY 305.A O no hydrogen 2.950 N/A SER 268.A OG TRP 173.A O no hydrogen 2.890 N/A SER 268.A OG GLY 265.A O no hydrogen 3.317 N/A ALA 269.A N PHE 266.A O no hydrogen 3.090 N/A ILE 270.A N ALA 279.A O no hydrogen 2.666 N/A ASP 272.A N ALA 269.A O no hydrogen 3.242 N/A GLU 274.A N ASP 272.A OD1 no hydrogen 2.775 N/A GLY 275.A N ASP 272.A OD1 no hydrogen 3.262 N/A GLU 276.A N ASP 272.A O no hydrogen 3.048 N/A CYS 278.A N MET 235.A O no hydrogen 2.777 N/A LEU 280.A N ASN 237.A OD1 no hydrogen 2.875 N/A GLU 282.A N GLU 282.A OE1 no hydrogen 2.451 N/A ILE 283.A N LEU 280.A O no hydrogen 2.885 N/A PHE 284.A N PRO 281.A O no hydrogen 3.041 N/A ALA 285.A N GLU 282.A O no hydrogen 3.158 N/A HIS 286.A N ILE 283.A O no hydrogen 2.974 N/A HIS 286.A ND1 TYR 540.A OH no hydrogen 2.612 N/A HIS 286.A NE2 PRO 329.A O no hydrogen 2.651 N/A LEU 287.A N ILE 283.A O no hydrogen 2.868 N/A THR 288.A N PHE 284.A O no hydrogen 3.043 N/A THR 288.A OG1 PHE 284.A O no hydrogen 2.723 N/A HIS 289.A N ALA 285.A O no hydrogen 2.973 N/A LEU 290.A N HIS 286.A O no hydrogen 2.735 N/A LEU 291.A N THR 288.A O no hydrogen 3.205 N/A MET 292.A N HIS 289.A O no hydrogen 3.240 N/A LEU 294.A N LEU 291.A O no hydrogen 3.048 N/A GLY 297.A N LEU 294.A O no hydrogen 2.762 N/A LYS 298.A N ALA 295.A O no hydrogen 2.958 N/A LYS 298.A NZ ALA 295.A O no hydrogen 3.007 N/A CYS 300.A N VAL 260.A O no hydrogen 2.781 N/A VAL 301.A N GLY 127.A O no hydrogen 2.903 N/A VAL 302.A N VAL 262.A O no hydrogen 2.860 N/A LEU 303.A N ALA 129.A O no hydrogen 3.004 N/A GLU 304.A N ALA 264.A O no hydrogen 3.110 N/A GLY 305.A N ASP 174.A OD1 no hydrogen 3.096 N/A TYR 307.A N ASP 272.A OD2 no hydrogen 2.736 N/A ASN 308.A ND2 GLY 271.A O no hydrogen 3.297 N/A SER 311.A N ASN 308.A OD1 no hydrogen 2.677 N/A SER 311.A OG ILE 270.A O no hydrogen 3.189 N/A SER 311.A OG ASN 308.A O no hydrogen 3.399 N/A SER 311.A OG ASN 308.A OD1 no hydrogen 3.141 N/A LEU 312.A N ASN 308.A O no hydrogen 2.725 N/A GLY 313.A N LEU 309.A O no hydrogen 3.255 N/A GLN 314.A N THR 310.A O no hydrogen 3.277 N/A SER 315.A N SER 311.A O no hydrogen 3.018 N/A SER 315.A OG SER 311.A O no hydrogen 2.772 N/A VAL 316.A N LEU 312.A O no hydrogen 3.011 N/A CYS 317.A N GLY 313.A O no hydrogen 3.080 N/A CYS 317.A SG ALA 39.A O no hydrogen 3.535 N/A CYS 317.A SG GLY 313.A O no hydrogen 3.277 N/A GLN 318.A N GLN 314.A O no hydrogen 3.001 N/A THR 319.A N SER 315.A O no hydrogen 3.053 N/A THR 319.A OG1 SER 315.A O no hydrogen 2.727 N/A VAL 320.A N VAL 316.A O no hydrogen 2.970 N/A HIS 321.A N CYS 317.A O no hydrogen 2.719 N/A HIS 321.A ND1 ASP 326.A OD2 no hydrogen 2.615 N/A SER 322.A N GLN 318.A O no hydrogen 3.182 N/A SER 322.A OG ALA 285.A O no hydrogen 2.731 N/A SER 322.A OG GLN 318.A O no hydrogen 3.529 N/A LEU 323.A N THR 319.A O no hydrogen 2.922 N/A LEU 324.A N VAL 320.A O no hydrogen 2.797 N/A GLY 325.A N SER 322.A O no hydrogen 3.081 N/A ASP 326.A N HIS 321.A O no hydrogen 2.935 N/A THR 328.A OG1 GLN 569.A O no hydrogen 3.291 N/A THR 328.A OG1 GLY 570.A O no hydrogen 3.296 N/A ARG 330.A NH1 ASN 543.A OD1 no hydrogen 3.162 N/A GLY 335.A N SER 238.A OG no hydrogen 2.787 N/A THR 336.A OG1 ALA 337.A O no hydrogen 3.016 N/A THR 336.A OG1 GLY 629.A O no hydrogen 3.543 N/A CYS 338.A N ASP 239.A OD1 no hydrogen 2.828 N/A CYS 338.A SG ASP 239.A OD1 no hydrogen 3.721 N/A LEU 342.A N CYS 338.A O no hydrogen 2.832 N/A GLU 343.A N ASP 339.A O no hydrogen 2.908 N/A SER 344.A N SER 340.A O no hydrogen 3.031 N/A SER 344.A OG PRO 229.A O no hydrogen 2.657 N/A SER 344.A OG SER 340.A O no hydrogen 3.270 N/A ILE 345.A N ALA 341.A O no hydrogen 2.825 N/A GLN 346.A N LEU 342.A O no hydrogen 2.867 N/A ASN 347.A N GLU 343.A O no hydrogen 2.809 N/A VAL 348.A N SER 344.A O no hydrogen 2.926 N/A ARG 349.A N ILE 345.A O no hydrogen 2.936 N/A ARG 349.A NH1 HIS 246.A O no hydrogen 2.786 N/A ASN 350.A N GLN 346.A O no hydrogen 3.071 N/A VAL 351.A N ASN 347.A O no hydrogen 3.056 N/A GLN 352.A N VAL 348.A O no hydrogen 2.954 N/A GLN 352.A NE2 ASN 225.A O no hydrogen 2.948 N/A SER 353.A N ASN 350.A O no hydrogen 3.092 N/A SER 353.A OG ASN 350.A O no hydrogen 2.595 N/A TYR 355.A N GLN 352.A O no hydrogen 2.993 N/A TRP 356.A NE1 GLY 223.A O no hydrogen 2.754 N/A SER 357.A N GLU 254.A OE1 no hydrogen 3.046 N/A SER 357.A N GLU 254.A OE2 no hydrogen 3.427 N/A SER 357.A OG GLU 254.A OE2 no hydrogen 3.471 N/A SER 358.A OG PRO 250.A O no hydrogen 3.503 N/A PHE 359.A N TRP 356.A O no hydrogen 3.163 N/A LYS 360.A N SER 357.A O no hydrogen 3.360 N/A LEU 362.A N PHE 359.A O no hydrogen 2.880 N/A ALA 363.A N LYS 360.A O no hydrogen 3.008 N/A THR 367.A N GLN 364.A O no hydrogen 2.926 N/A ASN 368.A N GLN 364.A O no hydrogen 2.995 N/A TRP 371.A NE1 GLN 314.A OE1 no hydrogen 3.067 N/A ARG 377.A NE PRO 327.A O no hydrogen 2.768 N/A ARG 377.A NH1 GLN 318.A O no hydrogen 3.075 N/A ARG 377.A NH1 GLN 318.A OE1 no hydrogen 2.718 N/A ARG 377.A NH2 SER 322.A OG no hydrogen 3.131 N/A ARG 377.A NH2 ASP 326.A O no hydrogen 3.396 N/A VAL 382.A N GLU 446.A O no hydrogen 2.863 N/A ARG 383.A N ASN 399.A O no hydrogen 3.198 N/A ARG 383.A NE LEU 595.A O no hydrogen 2.787 N/A ARG 383.A NH2 LEU 595.A O no hydrogen 3.333 N/A THR 384.A N ASN 399.A O no hydrogen 3.519 N/A THR 384.A OG1 ASN 449.A OD1 no hydrogen 2.933 N/A VAL 385.A N ASN 449.A O no hydrogen 3.219 N/A VAL 386.A N GLN 401.A O no hydrogen 2.746 N/A VAL 387.A N CYS 451.A O no hydrogen 3.042 N/A ASN 399.A ND2 SER 596.A O no hydrogen 2.978 N/A CYS 400.A N PRO 397.A O no hydrogen 3.005 N/A ALA 409.A N SER 405.A O no hydrogen 3.235 N/A LYS 410.A N GLU 406.A O no hydrogen 3.153 N/A GLU 411.A N SER 407.A O no hydrogen 3.255 N/A VAL 412.A N THR 408.A O no hydrogen 2.901 N/A GLN 413.A N ALA 409.A O no hydrogen 3.049 N/A ARG 414.A N LYS 410.A O no hydrogen 2.857 N/A ARG 414.A NH1 GLU 411.A OE2 no hydrogen 3.408 N/A ILE 415.A N GLU 411.A O no hydrogen 2.828 N/A ARG 416.A N VAL 412.A O no hydrogen 2.976 N/A ASP 417.A N GLN 413.A O no hydrogen 2.979 N/A LYS 418.A N ARG 414.A O no hydrogen 3.225 N/A HIS 419.A N ILE 415.A O no hydrogen 2.888 N/A PHE 420.A N ARG 416.A O no hydrogen 2.951 N/A ASN 426.A N ASP 424.A OD2 no hydrogen 3.012 N/A LEU 428.A N ASP 424.A O no hydrogen 3.274 N/A ARG 429.A N GLN 425.A O no hydrogen 3.365 N/A SER 430.A N ASN 426.A O no hydrogen 2.902 N/A SER 430.A OG ILE 427.A O no hydrogen 2.721 N/A GLY 432.A N LEU 428.A O no hydrogen 3.223 N/A ASN 433.A N ARG 429.A O no hydrogen 2.817 N/A ILE 434.A N SER 430.A O no hydrogen 2.771 N/A ILE 435.A N LEU 431.A O no hydrogen 3.009 N/A SER 436.A N GLY 432.A O no hydrogen 2.791 N/A SER 436.A OG GLY 432.A O no hydrogen 3.198 N/A VAL 437.A N ASN 433.A O no hydrogen 2.681 N/A LEU 438.A N ILE 434.A O no hydrogen 2.762 N/A ASP 439.A N ILE 435.A O no hydrogen 2.918 N/A ARG 440.A N SER 436.A O no hydrogen 3.169 N/A ARG 440.A NH2 GLN 401.A OE1 no hydrogen 3.297 N/A MET 441.A N VAL 437.A O no hydrogen 3.035 N/A MET 442.A N LEU 438.A O no hydrogen 3.069 N/A ARG 443.A N ASP 439.A O no hydrogen 2.943 N/A SER 444.A N ARG 440.A O no hydrogen 3.189 N/A GLU 446.A N SER 444.A OG no hydrogen 2.484 N/A VAL 447.A N SER 444.A OG no hydrogen 3.117 N/A CYS 448.A N ARG 383.A O no hydrogen 3.005 N/A CYS 448.A SG ARG 573.A O no hydrogen 3.706 N/A ASN 449.A N ARG 383.A O no hydrogen 2.955 N/A ASN 449.A ND2 GLY 574.A O no hydrogen 3.447 N/A ASN 449.A ND2 LEU 595.A O no hydrogen 3.275 N/A GLY 450.A N MET 576.A O no hydrogen 3.191 N/A CYS 451.A N VAL 385.A O no hydrogen 3.001 N/A CYS 451.A SG THR 578.A O no hydrogen 3.877 N/A VAL 452.A N THR 578.A O no hydrogen 2.830 N/A VAL 453.A N VAL 387.A O no hydrogen 3.127 N/A VAL 454.A N LEU 580.A O no hydrogen 2.921 N/A VAL 459.A N ASP 456.A OD1 no hydrogen 2.974 N/A SER 460.A OG ASP 456.A O no hydrogen 2.209 N/A VAL 461.A N LEU 457.A O no hydrogen 2.874 N/A GLN 462.A N SER 458.A O no hydrogen 3.015 N/A CYS 463.A N VAL 459.A O no hydrogen 3.101 N/A CYS 463.A SG VAL 459.A O no hydrogen 3.134 N/A ALA 464.A N SER 460.A O no hydrogen 2.965 N/A LEU 465.A N VAL 461.A O no hydrogen 2.666 N/A GLN 466.A N GLN 462.A O no hydrogen 2.684 N/A HIS 467.A N CYS 463.A O no hydrogen 2.793 N/A HIS 467.A NE2 ASP 439.A OD1 no hydrogen 2.824 N/A ALA 468.A N ALA 464.A O no hydrogen 2.993 N/A LEU 469.A N LEU 465.A O no hydrogen 2.819 N/A THR 470.A N GLN 466.A O no hydrogen 2.959 N/A THR 470.A OG1 GLN 466.A O no hydrogen 2.769 N/A ALA 473.A N ALA 468.A O no hydrogen 3.127 N/A ARG 475.A NH1 ASN 543.A O no hydrogen 2.743 N/A VAL 476.A N LYS 494.A O no hydrogen 2.806 N/A LEU 477.A N LEU 546.A O no hydrogen 3.018 N/A VAL 478.A N PHE 496.A O no hydrogen 2.896 N/A VAL 479.A N LEU 548.A O no hydrogen 2.817 N/A TYR 480.A N VAL 498.A O no hydrogen 2.799 N/A TYR 480.A OH ASP 483.A O no hydrogen 2.674 N/A VAL 481.A N ILE 550.A O no hydrogen 2.845 N/A GLY 482.A N ILE 500.A O no hydrogen 2.860 N/A ASP 483.A N GLU 552.A OE2 no hydrogen 3.002 N/A VAL 488.A N LEU 486.A O no hydrogen 2.714 N/A PHE 496.A N VAL 476.A O no hydrogen 3.264 N/A LEU 497.A N ASN 511.A O no hydrogen 3.158 N/A VAL 498.A N VAL 478.A O no hydrogen 2.756 N/A GLN 499.A N LEU 513.A O no hydrogen 2.865 N/A GLN 499.A NE2 GLY 482.A O no hydrogen 3.092 N/A GLN 499.A NE2 GLY 484.A O no hydrogen 3.312 N/A ILE 500.A N TYR 480.A O no hydrogen 2.723 N/A CYS 501.A N LEU 515.A O no hydrogen 2.998 N/A CYS 501.A SG LYS 503.A O no hydrogen 3.442 N/A CYS 501.A SG LEU 515.A O no hydrogen 4.014 N/A THR 502.A N ASP 483.A OD1 no hydrogen 2.997 N/A THR 502.A OG1 ASP 483.A OD1 no hydrogen 2.984 N/A THR 502.A OG1 ASP 483.A OD2 no hydrogen 2.590 N/A ASN 511.A ND2 VAL 495.A O no hydrogen 3.401 N/A ARG 512.A N CYS 509.A O no hydrogen 3.451 N/A LEU 513.A N LEU 497.A O no hydrogen 2.889 N/A THR 514.A N ASP 507.A OD1 no hydrogen 3.212 N/A THR 514.A OG1 ASP 507.A OD1 no hydrogen 2.867 N/A LEU 515.A N GLN 499.A O no hydrogen 2.827 N/A CYS 516.A SG CYS 501.A O no hydrogen 3.843 N/A ARG 518.A N ASP 613.A OD1 no hydrogen 3.182 N/A LEU 523.A N GLY 520.A O no hydrogen 3.350 N/A GLY 526.A N SER 522.A O no hydrogen 3.235 N/A PHE 527.A N LEU 523.A O no hydrogen 3.137 N/A MET 528.A N THR 524.A O no hydrogen 3.162 N/A GLN 529.A N ALA 525.A O no hydrogen 2.888 N/A ALA 530.A N GLY 526.A O no hydrogen 2.944 N/A LEU 531.A N PHE 527.A O no hydrogen 2.833 N/A LEU 532.A N MET 528.A O no hydrogen 3.021 N/A GLY 533.A N GLN 529.A O no hydrogen 2.854 N/A LEU 534.A N ALA 530.A O no hydrogen 2.774 N/A ILE 535.A N ALA 530.A O no hydrogen 2.880 N/A LEU 536.A N LEU 531.A O no hydrogen 2.937 N/A VAL 538.A N LEU 534.A O no hydrogen 3.242 N/A ALA 539.A N ILE 535.A O no hydrogen 2.894 N/A TYR 540.A N LEU 536.A O no hydrogen 2.886 N/A TYR 540.A OH HIS 286.A ND1 no hydrogen 2.612 N/A GLU 541.A N PRO 537.A O no hydrogen 3.086 N/A PHE 542.A N VAL 538.A O no hydrogen 2.697 N/A ASN 543.A N ALA 539.A O no hydrogen 2.916 N/A ALA 545.A N ARG 475.A O no hydrogen 2.767 N/A VAL 547.A N ARG 575.A O no hydrogen 3.108 N/A LEU 548.A N LEU 477.A O no hydrogen 2.707 N/A GLY 549.A N LEU 577.A O no hydrogen 2.859 N/A ILE 550.A N VAL 479.A O no hydrogen 2.909 N/A VAL 551.A N LEU 579.A O no hydrogen 3.027 N/A GLU 552.A N VAL 481.A O no hydrogen 3.108 N/A GLU 553.A N GLN 581.A OE1 no hydrogen 2.886 N/A THR 555.A OG1 THR 554.A O no hydrogen 2.573 N/A MET 558.A N THR 555.A O no hydrogen 3.514 N/A VAL 560.A N LEU 557.A O no hydrogen 3.218 N/A TRP 561.A NE1 THR 591.A OG1 no hydrogen 3.010 N/A MET 564.A N VAL 560.A O no hydrogen 3.157 N/A THR 565.A N TRP 561.A O no hydrogen 2.953 N/A THR 565.A OG1 TRP 561.A O no hydrogen 2.867 N/A CYS 566.A N GLY 562.A O no hydrogen 3.075 N/A LEU 567.A N HIS 563.A O no hydrogen 2.933 N/A ILE 568.A N MET 564.A O no hydrogen 2.788 N/A GLN 569.A N CYS 566.A O no hydrogen 3.314 N/A GLN 569.A NE2 THR 565.A O no hydrogen 3.053 N/A GLN 569.A NE2 ALA 594.A O no hydrogen 3.068 N/A GLY 570.A N LEU 567.A O no hydrogen 2.916 N/A LEU 571.A N ILE 568.A O no hydrogen 3.092 N/A GLY 574.A N LEU 571.A O no hydrogen 2.891 N/A ARG 575.A N ALA 572.A O no hydrogen 2.864 N/A LEU 577.A N VAL 547.A O no hydrogen 2.941 N/A THR 578.A N GLY 450.A O no hydrogen 3.165 N/A LEU 579.A N GLY 549.A O no hydrogen 2.710 N/A LEU 580.A N VAL 452.A O no hydrogen 2.983 N/A GLN 581.A N VAL 551.A O no hydrogen 2.919 N/A GLN 581.A NE2 SER 455.A O no hydrogen 3.417 N/A GLY 582.A N VAL 454.A O no hydrogen 2.980 N/A LEU 587.A N ASP 584.A OD1 no hydrogen 3.169 N/A LEU 588.A N ASP 584.A O no hydrogen 2.752 N/A GLU 589.A N LYS 585.A O no hydrogen 2.919 N/A LEU 590.A N ASP 586.A O no hydrogen 2.759 N/A THR 591.A N LEU 587.A O no hydrogen 2.860 N/A THR 591.A OG1 LEU 587.A O no hydrogen 2.617 N/A VAL 592.A N LEU 588.A O no hydrogen 3.054 N/A SER 593.A N GLU 589.A O no hydrogen 3.051 N/A ALA 594.A N LEU 590.A O no hydrogen 3.104 N/A LEU 595.A N THR 591.A O no hydrogen 2.880 N/A SER 596.A N VAL 592.A O no hydrogen 2.858 N/A SER 596.A N SER 593.A O no hydrogen 3.198 N/A SER 596.A OG VAL 592.A O no hydrogen 3.149 N/A SER 596.A OG SER 593.A O no hydrogen 2.703 N/A GLY 597.A N ALA 594.A O no hydrogen 3.220 N/A ALA 598.A N SER 593.A O no hydrogen 3.127 N/A SER 601.A OG PRO 602.A O no hydrogen 3.214 N/A ASP 613.A N LYS 610.A O no hydrogen 2.838 N/A VAL 614.A N LYS 610.A O no hydrogen 3.143 N/A GLU 615.A N PRO 611.A O no hydrogen 2.830 N/A MET 616.A N GLU 612.A O no hydrogen 3.066 N/A MET 617.A N ASP 613.A O no hydrogen 2.915 N/A GLU 618.A N VAL 614.A O no hydrogen 2.866 N/A LYS 619.A N GLU 615.A O no hydrogen 3.006 N/A GLN 620.A N MET 616.A O no hydrogen 3.158 N/A GLN 620.A NE2 ASP 507.A OD2 no hydrogen 2.876 N/A ARG 621.A N MET 617.A O no hydrogen 2.995 N/A ARG 621.A NE GLU 618.A OE2 no hydrogen 2.749 N/A ARG 621.A NH1 GLU 618.A OE1 no hydrogen 3.102 N/A ARG 621.A NH2 GLY 533.A O no hydrogen 2.982 N/A ARG 621.A NH2 LEU 631.A O no hydrogen 3.025 N/A GLN 622.A N GLU 618.A O no hydrogen 2.861 N/A ARG 623.A N LYS 619.A O no hydrogen 3.051 N/A ARG 623.A NE GLN 620.A OE1 no hydrogen 3.353 N/A ARG 623.A NH1 CYS 509.A O no hydrogen 3.037 N/A ARG 623.A NH2 ARG 512.A O no hydrogen 2.805 N/A ARG 623.A NH2 GLN 620.A OE1 no hydrogen 3.003 N/A LEU 624.A N ARG 621.A O no hydrogen 3.127 N/A GLN 625.A N ARG 621.A O no hydrogen 2.938 N/A ARG 627.A NH1 ARG 627.A O no hydrogen 2.892 N/A TRP 628.A N LEU 624.A O no hydrogen 2.801 N/A TRP 628.A NE1 VAL 510.A O no hydrogen 2.653 N/A LEU 630.A N GLU 541.A OE1 no hydrogen 3.051 N/A LEU 631.A N TRP 628.A O no hydrogen 3.015 N/A ARG 632.A N GLY 629.A O no hydrogen 3.012 N/A ARG 632.A NE THR 634.A O no hydrogen 3.203 N/A ARG 632.A NH2 THR 634.A O no hydrogen 3.521 N/A VAL 635.A N GLN 346.A OE1 no hydrogen 3.092 N/A