Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2d3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 258.A OD1 no hydrogen 2.563 N/A ILE 3.A N SER 29.A O no hydrogen 2.792 N/A ARG 4.A N ASP 51.A OD2 no hydrogen 2.792 N/A ARG 4.A NE ASP 51.A OD2 no hydrogen 3.028 N/A ARG 4.A NH1 ASN 48.A O no hydrogen 2.846 N/A ARG 4.A NH2 ASN 48.A O no hydrogen 3.386 N/A ARG 4.A NH2 ASN 48.A OD1 no hydrogen 3.034 N/A ARG 4.A NH2 ASP 51.A OD1 no hydrogen 2.815 N/A TRP 5.A N THR 31.A O no hydrogen 2.737 N/A CYS 6.A N ALA 52.A O no hydrogen 3.081 N/A CYS 6.A SG VAL 33.A O no hydrogen 3.630 N/A THR 7.A N VAL 33.A O no hydrogen 2.748 N/A THR 7.A OG1 GLU 13.A OE1 no hydrogen 2.817 N/A THR 7.A OG1 VAL 33.A O no hydrogen 3.479 N/A ILE 8.A N GLU 12.A OE1 no hydrogen 3.079 N/A GLU 12.A N SER 9.A OG no hydrogen 3.025 N/A GLU 13.A N SER 9.A O no hydrogen 2.954 N/A LYS 14.A N SER 10.A O no hydrogen 2.836 N/A LYS 15.A N PRO 11.A O no hydrogen 3.009 N/A LYS 15.A NZ HIS 279.A O no hydrogen 3.470 N/A LYS 15.A NZ LEU 280.A O no hydrogen 2.710 N/A LYS 15.A NZ LEU 294.A O no hydrogen 2.987 N/A CYS 16.A N GLU 12.A O no hydrogen 2.779 N/A ASN 17.A N GLU 13.A O no hydrogen 2.904 N/A ASN 17.A ND2 GLU 13.A OE2 no hydrogen 2.968 N/A ASN 18.A N LYS 14.A O no hydrogen 3.010 N/A LEU 19.A N LYS 15.A O no hydrogen 2.906 N/A ARG 20.A N CYS 16.A O no hydrogen 2.835 N/A ASP 21.A N ASN 17.A O no hydrogen 3.051 N/A LEU 22.A N ASN 18.A O no hydrogen 3.261 N/A THR 23.A N ARG 20.A O no hydrogen 3.158 N/A THR 23.A OG1 LEU 19.A O no hydrogen 2.994 N/A THR 23.A OG1 ARG 20.A O no hydrogen 3.478 N/A GLU 26.A N THR 23.A O no hydrogen 3.142 N/A SER 29.A N SER 1.A O no hydrogen 3.006 N/A THR 31.A N ILE 3.A O no hydrogen 2.769 N/A CYS 32.A SG ASN 17.A OD1 no hydrogen 3.549 N/A VAL 33.A N TRP 5.A O no hydrogen 2.793 N/A GLN 34.A NE2 SER 10.A OG no hydrogen 3.398 N/A LYS 35.A N THR 7.A O no hydrogen 2.886 N/A THR 37.A N ASP 40.A OD2 no hydrogen 3.093 N/A THR 37.A OG1 ASP 40.A OD2 no hydrogen 3.209 N/A TYR 38.A OH GLU 62.A OE1 no hydrogen 2.419 N/A TYR 38.A OH GLU 62.A OE2 no hydrogen 3.302 N/A ASP 40.A N THR 37.A O no hydrogen 2.951 N/A CYS 41.A N THR 37.A O no hydrogen 3.251 N/A CYS 41.A SG THR 7.A O no hydrogen 3.691 N/A ILE 42.A N TYR 38.A O no hydrogen 2.835 N/A LYS 43.A N LEU 39.A O no hydrogen 2.971 N/A ALA 44.A N ASP 40.A O no hydrogen 2.847 N/A ILE 45.A N CYS 41.A O no hydrogen 2.815 N/A ALA 46.A N ILE 42.A O no hydrogen 2.962 N/A ASN 47.A N LYS 43.A O no hydrogen 2.881 N/A ASN 47.A ND2 LYS 43.A O no hydrogen 3.168 N/A ASN 48.A N ILE 45.A O no hydrogen 3.040 N/A GLU 49.A N ALA 44.A O no hydrogen 2.753 N/A ASP 51.A N ARG 4.A O no hydrogen 2.654 N/A ALA 52.A N ARG 4.A O no hydrogen 3.397 N/A LEU 55.A N ALA 247.A O no hydrogen 2.775 N/A GLY 58.A N ASP 56.A OD2 no hydrogen 2.907 N/A GLN 59.A N ASP 56.A O no hydrogen 2.781 N/A VAL 60.A N ASP 56.A O no hydrogen 2.892 N/A PHE 61.A N GLY 57.A O no hydrogen 3.081 N/A ALA 63.A N GLN 59.A O no hydrogen 2.804 N/A GLY 64.A N VAL 60.A O no hydrogen 3.056 N/A GLY 64.A N PHE 61.A O no hydrogen 3.261 N/A LEU 65.A N GLU 62.A O no hydrogen 3.161 N/A LYS 69.A N LEU 65.A O no hydrogen 2.865 N/A LEU 70.A N ALA 63.A O no hydrogen 2.864 N/A LYS 71.A N ALA 250.A O no hydrogen 2.904 N/A LYS 71.A NZ SER 308.A O no hydrogen 2.525 N/A ILE 73.A N VAL 248.A O no hydrogen 2.830 N/A ALA 74.A N VAL 248.A O no hydrogen 3.495 N/A ALA 75.A N LYS 304.A O no hydrogen 2.768 N/A GLU 76.A N HIS 246.A O no hydrogen 2.970 N/A VAL 77.A N MET 302.A O no hydrogen 2.735 N/A TYR 78.A N THR 85.A O no hydrogen 2.927 N/A TYR 78.A OH GLU 76.A OE2 no hydrogen 2.493 N/A HIS 80.A ND1 TYR 78.A O no hydrogen 3.073 N/A GLY 83.A N HIS 80.A O no hydrogen 2.602 N/A THR 85.A N TYR 78.A O no hydrogen 3.081 N/A THR 86.A N THR 85.A OG1 no hydrogen 2.643 N/A TYR 88.A N VAL 243.A O no hydrogen 2.908 N/A TYR 88.A OH TYR 187.A OH no hydrogen 2.716 N/A TYR 89.A N HIS 206.A ND1 no hydrogen 3.111 N/A ALA 90.A N ALA 241.A O no hydrogen 2.896 N/A VAL 91.A N VAL 204.A O no hydrogen 2.872 N/A VAL 93.A N ALA 202.A O no hydrogen 2.953 N/A VAL 94.A N GLU 221.A O no hydrogen 2.872 N/A LYS 95.A NZ LEU 194.A O no hydrogen 3.360 N/A LYS 95.A NZ LYS 195.A O no hydrogen 2.968 N/A LYS 96.A N GLU 219.A O no hydrogen 2.780 N/A LYS 96.A NZ ASP 218.A O no hydrogen 2.909 N/A THR 98.A OG1 LYS 95.A O no hydrogen 2.831 N/A PHE 100.A N THR 98.A O no hydrogen 2.585 N/A THR 101.A N ASP 104.A OD2 no hydrogen 2.882 N/A THR 101.A OG1 ASP 104.A OD2 no hydrogen 3.378 N/A ASN 103.A N THR 101.A OG1 no hydrogen 3.048 N/A ASP 104.A N THR 101.A O no hydrogen 2.793 N/A GLY 107.A N PHE 151.A O no hydrogen 2.968 N/A LYS 108.A N LEU 105.A O no hydrogen 3.074 N/A LYS 108.A NZ ASP 104.A O no hydrogen 2.700 N/A THR 109.A N ASP 200.A OD1 no hydrogen 2.922 N/A THR 109.A OG1 LYS 198.A O no hydrogen 3.489 N/A THR 109.A OG1 ASP 200.A OD1 no hydrogen 3.192 N/A SER 110.A N ALA 154.A O no hydrogen 3.005 N/A SER 110.A OG HIS 112.A NE2 no hydrogen 2.959 N/A SER 110.A OG SER 155.A OG no hydrogen 2.756 N/A CYS 111.A N VAL 201.A O no hydrogen 2.871 N/A HIS 112.A N CYS 156.A O no hydrogen 2.914 N/A HIS 112.A ND1 GLY 120.A O no hydrogen 2.664 N/A HIS 112.A NE2 SER 110.A OG no hydrogen 2.959 N/A LEU 115.A N PRO 158.A O no hydrogen 2.879 N/A ARG 117.A N GLY 114.A O no hydrogen 3.321 N/A SER 118.A N ASP 56.A OD2 no hydrogen 2.592 N/A SER 118.A OG ASP 56.A OD2 no hydrogen 3.163 N/A SER 118.A OG TYR 320.A OH no hydrogen 2.647 N/A TRP 121.A N ARG 117.A O no hydrogen 2.886 N/A ASN 122.A N ARG 117.A O no hydrogen 2.811 N/A ILE 123.A N SER 118.A O no hydrogen 2.892 N/A ILE 125.A N TRP 121.A O no hydrogen 2.900 N/A GLY 126.A N ASN 122.A O no hydrogen 2.952 N/A THR 127.A N ILE 123.A O no hydrogen 2.833 N/A THR 127.A OG1 ILE 123.A O no hydrogen 2.610 N/A LEU 128.A N PRO 124.A O no hydrogen 2.959 N/A ILE 129.A N ILE 125.A O no hydrogen 2.986 N/A HIS 130.A N GLY 126.A O no hydrogen 2.950 N/A ARG 131.A N THR 127.A O no hydrogen 2.964 N/A ARG 131.A NH1 LEU 225.A O no hydrogen 3.087 N/A ARG 131.A NH2 ASN 103.A OD1 no hydrogen 2.746 N/A GLY 132.A N ILE 129.A O no hydrogen 3.024 N/A ALA 133.A N LEU 128.A O no hydrogen 2.834 N/A ILE 134.A N LEU 128.A O no hydrogen 3.046 N/A TRP 136.A NE1 GLY 142.A O no hydrogen 2.780 N/A GLU 137.A N SER 141.A OG no hydrogen 3.188 N/A GLY 138.A N SER 141.A OG no hydrogen 3.329 N/A ILE 139.A N LYS 329.A O no hydrogen 2.883 N/A GLU 140.A N ASP 330.A OD1 no hydrogen 3.134 N/A SER 141.A N GLY 138.A O no hydrogen 2.935 N/A SER 141.A OG GLY 138.A O no hydrogen 2.682 N/A GLY 142.A N ILE 139.A O no hydrogen 3.253 N/A GLN 146.A N SER 143.A OG no hydrogen 3.079 N/A ALA 147.A N SER 143.A O no hydrogen 3.317 N/A VAL 148.A N VAL 144.A O no hydrogen 2.934 N/A ALA 149.A N GLU 145.A O no hydrogen 2.844 N/A LYS 150.A N GLN 146.A O no hydrogen 3.056 N/A PHE 151.A N ALA 147.A O no hydrogen 3.049 N/A PHE 151.A N VAL 148.A O no hydrogen 3.011 N/A PHE 152.A N VAL 148.A O no hydrogen 3.009 N/A SER 153.A N LYS 108.A O no hydrogen 2.977 N/A SER 153.A OG GLY 107.A O no hydrogen 3.455 N/A SER 155.A N LYS 165.A O no hydrogen 3.091 N/A SER 155.A OG SER 110.A OG no hydrogen 2.756 N/A CYS 156.A N SER 110.A O no hydrogen 2.940 N/A VAL 157.A N LEU 166.A O no hydrogen 2.598 N/A GLY 159.A N CYS 178.A O no hydrogen 2.833 N/A ALA 160.A N VAL 157.A O no hydrogen 2.919 N/A THR 161.A N GLU 145.A OE2 no hydrogen 3.315 N/A ILE 162.A N GLU 145.A OE1 no hydrogen 2.911 N/A GLU 163.A N GLU 145.A OE1 no hydrogen 3.245 N/A LYS 165.A NZ ALA 149.A O no hydrogen 3.179 N/A LEU 166.A N GLU 163.A O no hydrogen 3.015 N/A CYS 167.A N GLN 164.A O no hydrogen 2.923 N/A CYS 167.A SG ALA 160.A O no hydrogen 3.982 N/A ARG 168.A N GLN 164.A O no hydrogen 3.183 N/A ARG 168.A N LYS 165.A O no hydrogen 3.332 N/A GLN 169.A N SER 155.A O no hydrogen 2.985 N/A CYS 170.A N CYS 167.A O no hydrogen 2.913 N/A THR 176.A N ASP 173.A O no hydrogen 3.167 N/A LYS 177.A N ASP 173.A O no hydrogen 2.754 N/A CYS 178.A SG VAL 157.A O no hydrogen 3.582 N/A ALA 179.A N THR 176.A O no hydrogen 3.217 N/A ARG 180.A NH1 LEU 115.A O no hydrogen 2.790 N/A ARG 180.A NH2 LEU 115.A O no hydrogen 3.269 N/A ALA 182.A N ALA 179.A O no hydrogen 3.037 N/A TYR 184.A OH ASP 196.A OD1 no hydrogen 2.618 N/A SER 185.A N ALA 182.A O no hydrogen 2.893 N/A SER 185.A OG ARG 180.A O no hydrogen 3.211 N/A SER 185.A OG ALA 182.A O no hydrogen 2.599 N/A GLY 186.A N THR 113.A O no hydrogen 3.013 N/A TYR 187.A OH HIS 246.A NE2 no hydrogen 2.758 N/A SER 188.A OG ASN 212.A OD1 no hydrogen 3.385 N/A ALA 190.A N GLY 186.A O no hydrogen 2.995 N/A PHE 191.A N TYR 187.A O no hydrogen 3.095 N/A HIS 192.A N SER 188.A O no hydrogen 3.078 N/A HIS 192.A ND1 SER 188.A O no hydrogen 3.009 N/A CYS 193.A N GLY 189.A O no hydrogen 2.882 N/A LEU 194.A N ALA 190.A O no hydrogen 3.137 N/A LYS 195.A N PHE 191.A O no hydrogen 2.803 N/A ASP 196.A N HIS 192.A O no hydrogen 2.750 N/A GLY 197.A N LEU 194.A O no hydrogen 2.905 N/A LYS 198.A N CYS 193.A O no hydrogen 2.953 N/A ASP 200.A N THR 109.A O no hydrogen 2.839 N/A ALA 202.A N VAL 93.A O no hydrogen 2.906 N/A PHE 203.A N CYS 111.A O no hydrogen 3.031 N/A VAL 204.A N VAL 91.A O no hydrogen 3.096 N/A LYS 205.A N THR 208.A OG1 no hydrogen 3.073 N/A LYS 205.A NZ SER 299.A OG no hydrogen 3.063 N/A HIS 206.A N TYR 89.A O no hydrogen 2.957 N/A THR 207.A OG1 GLU 211.A OE2 no hydrogen 2.761 N/A THR 208.A N LYS 205.A O no hydrogen 3.205 N/A THR 208.A OG1 LYS 205.A O no hydrogen 2.979 N/A GLU 211.A N THR 207.A O no hydrogen 2.865 N/A ASN 212.A N THR 208.A O no hydrogen 3.062 N/A ASN 212.A ND2 SER 188.A OG no hydrogen 3.254 N/A ASN 212.A ND2 THR 208.A O no hydrogen 2.813 N/A ALA 213.A N VAL 209.A O no hydrogen 2.754 N/A GLN 216.A N ALA 213.A O no hydrogen 2.941 N/A LYS 217.A N PRO 214.A O no hydrogen 3.391 N/A LYS 217.A NZ ASP 233.A OD1 no hydrogen 2.702 N/A GLU 219.A N GLN 216.A O no hydrogen 2.976 N/A TYR 220.A N LYS 217.A O no hydrogen 2.969 N/A GLU 221.A N VAL 94.A O no hydrogen 3.006 N/A LEU 222.A N GLN 230.A O no hydrogen 2.630 N/A LEU 223.A N ALA 92.A O no hydrogen 2.750 N/A CYS 224.A N SER 228.A O no hydrogen 3.038 N/A CYS 224.A SG LEU 222.A O no hydrogen 4.041 N/A CYS 224.A SG SER 228.A O no hydrogen 3.532 N/A CYS 224.A SG SER 228.A OG no hydrogen 3.192 N/A CYS 224.A SG GLN 230.A OE1 no hydrogen 3.474 N/A GLY 227.A N CYS 224.A O no hydrogen 3.217 N/A SER 228.A N ASP 226.A OD1 no hydrogen 3.007 N/A SER 228.A OG ASP 226.A OD1 no hydrogen 2.636 N/A ARG 229.A NE PHE 100.A O no hydrogen 2.795 N/A ARG 229.A NH1 LYS 95.A O no hydrogen 3.201 N/A ARG 229.A NH1 THR 98.A OG1 no hydrogen 3.038 N/A ARG 229.A NH1 GLU 221.A OE1 no hydrogen 3.042 N/A ARG 229.A NH2 THR 98.A OG1 no hydrogen 2.557 N/A ARG 229.A NH2 PHE 100.A O no hydrogen 2.738 N/A GLN 230.A N LEU 222.A O no hydrogen 3.021 N/A GLN 230.A NE2 THR 237.A OG1 no hydrogen 3.377 N/A ASN 234.A N PRO 231.A O no hydrogen 2.872 N/A THR 237.A N ASN 234.A O no hydrogen 2.901 N/A THR 237.A OG1 ASN 234.A O no hydrogen 3.250 N/A CYS 238.A N TYR 235.A O no hydrogen 3.193 N/A ASN 239.A ND2 TYR 235.A O no hydrogen 2.813 N/A TRP 240.A N ALA 90.A O no hydrogen 2.871 N/A TRP 240.A NE1 LEU 223.A O no hydrogen 2.828 N/A ARG 242.A NE SER 87.A OG no hydrogen 2.897 N/A ARG 242.A NH1 GLU 82.A OE2 no hydrogen 2.776 N/A ARG 242.A NH2 GLU 82.A OE1 no hydrogen 3.157 N/A ARG 242.A NH2 GLU 82.A OE2 no hydrogen 3.212 N/A VAL 243.A N TYR 88.A O no hydrogen 2.807 N/A ALA 245.A N THR 86.A O no hydrogen 2.938 N/A HIS 246.A N TYR 78.A OH no hydrogen 3.249 N/A ALA 247.A N LEU 55.A O no hydrogen 2.898 N/A VAL 248.A N ALA 74.A O no hydrogen 2.736 N/A VAL 249.A N ILE 53.A O no hydrogen 3.020 N/A ALA 250.A N LYS 71.A O no hydrogen 2.984 N/A ARG 251.A NE ASP 253.A OD2 no hydrogen 2.791 N/A ARG 251.A NH1 ASP 51.A OD1 no hydrogen 2.901 N/A ARG 251.A NH2 ILE 45.A O no hydrogen 3.111 N/A ARG 251.A NH2 ALA 50.A O no hydrogen 2.798 N/A ARG 251.A NH2 ASP 51.A OD1 no hydrogen 3.268 N/A LYS 255.A N ASP 253.A OD1 no hydrogen 2.963 N/A LYS 255.A NZ VAL 2.A O no hydrogen 2.807 N/A LYS 255.A NZ ASP 51.A OD2 no hydrogen 2.991 N/A VAL 256.A N ASP 253.A O no hydrogen 3.299 N/A ILE 259.A N LYS 255.A O no hydrogen 3.098 N/A TRP 260.A N VAL 256.A O no hydrogen 2.983 N/A SER 261.A N GLU 257.A O no hydrogen 2.813 N/A SER 261.A OG GLU 257.A O no hydrogen 3.120 N/A PHE 262.A N ASP 258.A O no hydrogen 3.020 N/A LEU 263.A N ILE 259.A O no hydrogen 3.097 N/A SER 264.A N TRP 260.A O no hydrogen 2.697 N/A LYS 265.A N SER 261.A O no hydrogen 3.007 N/A LYS 265.A NZ GLU 26.A OE1 no hydrogen 3.265 N/A LYS 265.A NZ GLU 26.A OE2 no hydrogen 3.393 N/A LYS 265.A NZ ASP 269.A OD1 no hydrogen 2.524 N/A LYS 265.A NZ ASP 269.A OD2 no hydrogen 3.472 N/A ALA 266.A N PHE 262.A O no hydrogen 2.745 N/A GLN 267.A N LEU 263.A O no hydrogen 2.791 N/A GLN 267.A NE2 LEU 303.A O no hydrogen 3.113 N/A SER 268.A N SER 264.A O no hydrogen 3.145 N/A SER 268.A N LYS 265.A O no hydrogen 3.154 N/A SER 268.A OG SER 264.A O no hydrogen 2.810 N/A ASP 269.A N LYS 265.A O no hydrogen 3.017 N/A PHE 270.A N ALA 266.A O no hydrogen 2.812 N/A THR 274.A N GLY 271.A O no hydrogen 3.260 N/A THR 274.A OG1 ASP 269.A O no hydrogen 2.957 N/A SER 276.A N THR 274.A OG1 no hydrogen 3.108 N/A SER 276.A OG PHE 278.A O no hydrogen 3.531 N/A PHE 278.A N SER 276.A OG no hydrogen 2.922 N/A LEU 280.A N PHE 270.A O no hydrogen 3.069 N/A LYS 286.A NZ ASP 215.A OD1 no hydrogen 3.325 N/A LYS 287.A NZ PRO 283.A O no hydrogen 2.917 N/A VAL 290.A N ASP 288.A OD2 no hydrogen 3.002 N/A LEU 291.A N ASP 288.A O no hydrogen 2.727 N/A LYS 292.A N PRO 289.A O no hydrogen 3.147 N/A LYS 292.A NZ GLU 211.A O no hydrogen 2.829 N/A LYS 292.A NZ ASN 212.A OD1 no hydrogen 2.624 N/A LYS 292.A NZ GLY 285.A O no hydrogen 2.965 N/A ASP 293.A N ASP 298.A OD1 no hydrogen 2.837 N/A LEU 295.A N GLU 12.A OE2 no hydrogen 2.749 N/A PHE 296.A N LEU 294.A O no hydrogen 2.646 N/A LYS 297.A N GLU 76.A OE1 no hydrogen 2.987 N/A LYS 297.A NZ TYR 78.A OH no hydrogen 3.073 N/A LYS 297.A NZ TYR 187.A OH no hydrogen 3.009 N/A ASP 298.A N ASP 293.A OD2 no hydrogen 2.826 N/A ALA 300.A N LYS 297.A O no hydrogen 3.184 N/A ILE 301.A N VAL 77.A O no hydrogen 2.751 N/A LEU 303.A N GLN 267.A OE1 no hydrogen 2.712 N/A LYS 304.A N ALA 75.A O no hydrogen 2.750 N/A LYS 304.A NZ LYS 670.A O no hydrogen 2.808 N/A ARG 305.A NH1 GLU 257.A OE1 no hydrogen 2.899 N/A VAL 306.A N ILE 73.A O no hydrogen 2.872 N/A MET 310.A N PRO 307.A O no hydrogen 2.949 N/A LEU 314.A N ASP 311.A OD1 no hydrogen 2.829 N/A TYR 315.A N ASP 311.A O no hydrogen 2.917 N/A TYR 315.A OH ALA 245.A O no hydrogen 2.429 N/A LEU 316.A N SER 312.A O no hydrogen 3.180 N/A GLY 317.A N GLN 313.A O no hydrogen 3.284 N/A TYR 320.A OH SER 118.A OG no hydrogen 2.647 N/A TYR 321.A N GLY 317.A O no hydrogen 2.881 N/A SER 322.A N PHE 318.A O no hydrogen 2.848 N/A SER 322.A OG PHE 318.A O no hydrogen 2.528 N/A ALA 323.A N GLU 319.A O no hydrogen 2.936 N/A ILE 324.A N TYR 320.A O no hydrogen 3.001 N/A GLN 325.A N TYR 321.A O no hydrogen 3.075 N/A SER 326.A N SER 322.A O no hydrogen 2.911 N/A SER 326.A OG SER 322.A O no hydrogen 3.527 N/A SER 326.A OG ALA 323.A O no hydrogen 2.637 N/A MET 327.A N ALA 323.A O no hydrogen 3.376 N/A MET 327.A N ILE 324.A O no hydrogen 3.181 N/A ARG 328.A N GLN 325.A O no hydrogen 2.833 N/A ARG 328.A NH1 GLN 325.A OE1 no hydrogen 2.943 N/A LYS 329.A N SER 326.A O no hydrogen 3.335 N/A GLN 331.A N ASP 330.A OD1 no hydrogen 2.704 N/A ILE 335.A N ASP 358.A O no hydrogen 2.713 N/A GLN 336.A N ASP 380.A OD1 no hydrogen 2.964 N/A GLN 336.A NE2 THR 362.A OG1 no hydrogen 2.732 N/A TRP 337.A N GLU 360.A O no hydrogen 2.906 N/A CYS 338.A N ALA 381.A O no hydrogen 3.007 N/A ALA 339.A N THR 362.A O no hydrogen 2.921 N/A VAL 340.A N GLU 344.A OE1 no hydrogen 2.666 N/A GLY 341.A N VAL 364.A O no hydrogen 3.114 N/A LYS 342.A N HIS 502.A NE2 no hydrogen 2.783 N/A LYS 345.A N GLY 341.A O no hydrogen 3.104 N/A LYS 345.A NZ ASP 349.A OD1 no hydrogen 2.684 N/A LYS 345.A NZ ASP 349.A OD2 no hydrogen 3.040 N/A SER 346.A N LYS 342.A O no hydrogen 2.916 N/A LYS 347.A N ASP 343.A O no hydrogen 3.078 N/A LYS 347.A NZ MET 611.A O no hydrogen 2.551 N/A LYS 347.A NZ GLU 613.A O no hydrogen 2.905 N/A LYS 347.A NZ LEU 619.A O no hydrogen 2.883 N/A CYS 348.A N GLU 344.A O no hydrogen 2.815 N/A CYS 348.A SG GLU 360.A O no hydrogen 3.967 N/A ASP 349.A N LYS 345.A O no hydrogen 2.761 N/A ARG 350.A N SER 346.A O no hydrogen 3.001 N/A TRP 351.A N LYS 347.A O no hydrogen 2.968 N/A SER 352.A N CYS 348.A O no hydrogen 2.840 N/A SER 352.A OG VAL 359.A O no hydrogen 2.678 N/A SER 352.A OG GLU 360.A OE2 no hydrogen 3.533 N/A VAL 353.A N ASP 349.A O no hydrogen 3.117 N/A VAL 354.A N ARG 350.A O no hydrogen 3.135 N/A SER 355.A N TRP 351.A O no hydrogen 2.906 N/A SER 355.A OG TRP 351.A O no hydrogen 3.085 N/A SER 355.A OG SER 352.A O no hydrogen 2.992 N/A ASN 356.A N VAL 353.A O no hydrogen 3.097 N/A GLY 357.A N SER 352.A O no hydrogen 2.791 N/A GLY 357.A N SER 355.A OG no hydrogen 3.255 N/A ASP 358.A N SER 355.A O no hydrogen 3.162 N/A VAL 359.A N SER 355.A OG no hydrogen 3.143 N/A GLU 360.A N ILE 335.A O no hydrogen 2.739 N/A THR 362.A N TRP 337.A O no hydrogen 3.042 N/A VAL 364.A N ALA 339.A O no hydrogen 3.226 N/A GLU 366.A N ASP 369.A OD2 no hydrogen 2.834 N/A ASP 369.A N GLU 366.A O no hydrogen 2.843 N/A CYS 370.A N THR 367.A O no hydrogen 2.786 N/A ILE 371.A N THR 367.A O no hydrogen 3.363 N/A ILE 372.A N LYS 368.A O no hydrogen 3.158 N/A LYS 373.A N ASP 369.A O no hydrogen 2.791 N/A LYS 373.A NZ GLU 378.A OE2 no hydrogen 3.043 N/A ILE 374.A N CYS 370.A O no hydrogen 2.833 N/A MET 375.A N ILE 371.A O no hydrogen 2.941 N/A LYS 376.A N ILE 372.A O no hydrogen 3.071 N/A LYS 376.A NZ ASP 311.A OD2 no hydrogen 2.640 N/A LYS 376.A NZ GLN 313.A OE1 no hydrogen 3.436 N/A GLY 377.A N LYS 373.A O no hydrogen 2.953 N/A GLY 377.A N ILE 374.A O no hydrogen 3.099 N/A GLU 378.A N LYS 373.A O no hydrogen 2.869 N/A ALA 379.A N LYS 373.A O no hydrogen 3.314 N/A ASP 380.A N GLN 336.A O no hydrogen 2.659 N/A ALA 381.A N GLN 336.A O no hydrogen 3.302 N/A LEU 384.A N ALA 577.A O no hydrogen 2.774 N/A GLY 387.A N ASP 385.A OD2 no hydrogen 2.849 N/A VAL 389.A N ASP 385.A O no hydrogen 2.875 N/A TYR 390.A N GLY 386.A O no hydrogen 3.058 N/A ALA 392.A N LEU 388.A O no hydrogen 2.789 N/A GLY 393.A N VAL 389.A O no hydrogen 2.761 N/A VAL 394.A N TYR 390.A O no hydrogen 2.915 N/A CYS 395.A N THR 391.A O no hydrogen 2.961 N/A CYS 395.A SG THR 391.A O no hydrogen 3.178 N/A GLY 396.A N GLY 393.A O no hydrogen 2.729 N/A LEU 397.A N ALA 392.A O no hydrogen 2.887 N/A VAL 398.A N VAL 580.A O no hydrogen 2.859 N/A VAL 400.A N VAL 578.A O no hydrogen 2.922 N/A ALA 402.A N PHE 629.A O no hydrogen 2.943 N/A GLU 403.A N HIS 576.A O no hydrogen 2.846 N/A ARG 404.A N CYS 627.A O no hydrogen 2.955 N/A ARG 404.A NE ASP 406.A OD1 no hydrogen 2.922 N/A ARG 404.A NE ASP 406.A OD2 no hydrogen 2.724 N/A ARG 404.A NH1 ASP 406.A OD2 no hydrogen 2.588 N/A TYR 405.A OH GLU 403.A OE2 no hydrogen 2.589 N/A ASP 407.A N ASP 406.A OD1 no hydrogen 2.413 N/A SER 409.A OG ASP 407.A OD1 no hydrogen 2.533 N/A GLN 410.A N ASP 407.A O no hydrogen 3.083 N/A SER 414.A OG GLU 572.A OE1 no hydrogen 2.740 N/A TYR 415.A N VAL 573.A O no hydrogen 3.063 N/A TYR 415.A OH TYR 508.A OH no hydrogen 2.857 N/A ALA 417.A N ALA 571.A O no hydrogen 2.828 N/A VAL 418.A N ILE 524.A O no hydrogen 2.926 N/A VAL 420.A N ALA 522.A O no hydrogen 2.792 N/A ALA 421.A N GLU 551.A O no hydrogen 3.102 N/A ARG 422.A NE GLY 519.A O no hydrogen 3.222 N/A ARG 422.A NH1 VAL 516.A O no hydrogen 3.484 N/A ARG 422.A NH2 VAL 516.A O no hydrogen 3.091 N/A ARG 422.A NH2 GLY 519.A O no hydrogen 3.459 N/A LYS 423.A N ASP 549.A O no hydrogen 3.089 N/A LYS 423.A NZ GLU 551.A OE1 no hydrogen 2.706 N/A SER 425.A N LYS 423.A O no hydrogen 3.196 N/A VAL 427.A N SER 425.A OG no hydrogen 3.358 N/A ASN 428.A N ASN 431.A OD1 no hydrogen 2.634 N/A ASN 428.A ND2 ASN 426.A O no hydrogen 2.918 N/A ASN 430.A N ASN 428.A OD1 no hydrogen 2.787 N/A ASN 431.A N ASN 428.A O no hydrogen 3.198 N/A GLY 434.A N TYR 467.A O no hydrogen 2.651 N/A LYS 435.A N LEU 432.A O no hydrogen 3.057 N/A LYS 435.A NZ ASN 431.A O no hydrogen 3.296 N/A LYS 436.A N ASP 520.A OD1 no hydrogen 3.317 N/A SER 437.A N GLU 470.A O no hydrogen 3.173 N/A SER 437.A OG HIS 439.A NE2 no hydrogen 2.881 N/A CYS 438.A N VAL 521.A O no hydrogen 2.859 N/A HIS 439.A N CYS 472.A O no hydrogen 2.723 N/A HIS 439.A ND1 GLY 447.A O no hydrogen 2.660 N/A HIS 439.A NE2 SER 437.A OG no hydrogen 2.881 N/A VAL 442.A N PRO 474.A O no hydrogen 2.914 N/A ARG 444.A N ALA 441.A O no hydrogen 3.243 N/A THR 445.A N ASP 385.A OD2 no hydrogen 2.520 N/A THR 445.A OG1 ASP 385.A OD1 no hydrogen 3.495 N/A THR 445.A OG1 ASP 385.A OD2 no hydrogen 3.099 N/A TRP 448.A N ARG 444.A O no hydrogen 2.878 N/A VAL 449.A N ARG 444.A O no hydrogen 2.851 N/A ILE 450.A N THR 445.A O no hydrogen 2.862 N/A MET 452.A N TRP 448.A O no hydrogen 2.804 N/A GLY 453.A N VAL 449.A O no hydrogen 2.749 N/A LEU 454.A N ILE 450.A O no hydrogen 2.941 N/A ILE 455.A N PRO 451.A O no hydrogen 3.125 N/A HIS 456.A N MET 452.A O no hydrogen 2.784 N/A ASN 457.A N GLY 453.A O no hydrogen 2.884 N/A ARG 458.A N LEU 454.A O no hydrogen 3.175 N/A THR 459.A N ILE 455.A O no hydrogen 2.721 N/A THR 459.A OG1 ILE 455.A O no hydrogen 3.092 N/A GLY 460.A N HIS 456.A O no hydrogen 2.631 N/A ASN 463.A N THR 461.A OG1 no hydrogen 3.259 N/A PHE 464.A N CYS 462.A O no hydrogen 2.916 N/A TYR 467.A N PHE 464.A O no hydrogen 3.050 N/A SER 469.A N LYS 435.A O no hydrogen 2.951 N/A GLY 471.A N ARG 481.A O no hydrogen 3.226 N/A CYS 472.A N SER 437.A O no hydrogen 2.946 N/A ALA 473.A N LEU 482.A O no hydrogen 2.755 N/A GLY 475.A N CYS 497.A O no hydrogen 2.809 N/A SER 476.A N ALA 473.A O no hydrogen 3.213 N/A SER 476.A OG ALA 473.A O no hydrogen 2.647 N/A SER 480.A N PRO 477.A O no hydrogen 2.884 N/A SER 480.A OG PRO 477.A O no hydrogen 2.552 N/A ARG 481.A N ASP 465.A OD1 no hydrogen 3.100 N/A ARG 481.A NE SER 469.A O no hydrogen 2.900 N/A ARG 481.A NH2 SER 469.A O no hydrogen 3.401 N/A ARG 481.A NH2 GLU 470.A OE2 no hydrogen 3.161 N/A LEU 482.A N ASP 465.A OD2 no hydrogen 2.804 N/A CYS 483.A N SER 480.A O no hydrogen 3.225 N/A CYS 483.A SG SER 476.A O no hydrogen 3.346 N/A CYS 483.A SG PRO 477.A O no hydrogen 2.979 N/A CYS 483.A SG SER 480.A OG no hydrogen 3.609 N/A GLN 484.A N ARG 481.A O no hydrogen 3.247 N/A LEU 485.A N GLY 471.A O no hydrogen 3.300 N/A CYS 486.A N CYS 483.A O no hydrogen 3.070 N/A GLN 487.A N GLU 503.A OE2 no hydrogen 2.927 N/A GLY 488.A N GLU 503.A OE1 no hydrogen 2.708 N/A SER 489.A N PRO 494.A O no hydrogen 2.726 N/A SER 489.A OG PRO 493.A O no hydrogen 3.536 N/A SER 489.A OG PRO 494.A O no hydrogen 3.328 N/A GLY 491.A N SER 489.A OG no hydrogen 3.205 N/A CYS 497.A N GLU 503.A OE1 no hydrogen 2.795 N/A CYS 497.A SG ALA 473.A O no hydrogen 3.852 N/A VAL 498.A N GLU 495.A O no hydrogen 3.410 N/A SER 501.A OG ASP 343.A OD2 no hydrogen 2.656 N/A HIS 502.A N SER 500.A OG no hydrogen 3.021 N/A HIS 502.A ND1 GLU 495.A OE2 no hydrogen 2.994 N/A GLU 503.A N SER 500.A O no hydrogen 2.965 N/A LYS 504.A N GLY 488.A O no hydrogen 3.193 N/A TYR 505.A N GLU 503.A OE2 no hydrogen 2.972 N/A TYR 505.A OH GLU 517.A OE2 no hydrogen 2.727 N/A PHE 506.A N GLU 503.A O no hydrogen 2.963 N/A GLY 507.A N THR 440.A O no hydrogen 3.002 N/A TYR 508.A OH HIS 576.A NE2 no hydrogen 2.653 N/A THR 509.A OG1 ASN 532.A OD1 no hydrogen 3.142 N/A ALA 511.A N GLY 507.A O no hydrogen 2.900 N/A LEU 512.A N TYR 508.A O no hydrogen 3.353 N/A LEU 512.A N THR 509.A O no hydrogen 3.220 N/A ARG 513.A N THR 509.A O no hydrogen 3.146 N/A ARG 513.A NE GLU 517.A OE1 no hydrogen 2.809 N/A ARG 513.A NE GLU 517.A OE2 no hydrogen 3.384 N/A ARG 513.A NH2 GLU 517.A OE1 no hydrogen 3.374 N/A CYS 514.A N GLY 510.A O no hydrogen 3.101 N/A LEU 515.A N ALA 511.A O no hydrogen 3.129 N/A VAL 516.A N LEU 512.A O no hydrogen 2.960 N/A GLU 517.A N ARG 513.A O no hydrogen 2.661 N/A LYS 518.A N CYS 514.A O no hydrogen 2.636 N/A GLY 519.A N CYS 514.A O no hydrogen 2.666 N/A ASP 520.A N LYS 436.A O no hydrogen 2.877 N/A VAL 521.A N LYS 436.A O no hydrogen 3.269 N/A ALA 522.A N VAL 420.A O no hydrogen 2.707 N/A PHE 523.A N CYS 438.A O no hydrogen 2.938 N/A ILE 524.A N VAL 418.A O no hydrogen 3.221 N/A GLN 525.A N THR 528.A OG1 no hydrogen 3.325 N/A HIS 526.A N PHE 416.A O no hydrogen 2.890 N/A SER 527.A OG GLU 531.A OE2 no hydrogen 2.676 N/A THR 528.A N GLN 525.A O no hydrogen 3.180 N/A THR 528.A OG1 GLN 525.A O no hydrogen 3.175 N/A GLU 531.A N SER 527.A O no hydrogen 2.757 N/A ASN 532.A N THR 528.A O no hydrogen 3.193 N/A ASN 532.A N VAL 529.A O no hydrogen 3.188 N/A THR 533.A N GLU 530.A O no hydrogen 3.224 N/A THR 533.A OG1 VAL 529.A O no hydrogen 2.882 N/A THR 533.A OG1 GLU 530.A O no hydrogen 3.218 N/A LYS 536.A N THR 533.A O no hydrogen 3.056 N/A LYS 536.A NZ GLU 530.A OE2 no hydrogen 3.403 N/A LYS 536.A NZ THR 533.A O no hydrogen 3.116 N/A ALA 539.A N ASN 537.A OD1 no hydrogen 2.823 N/A ALA 542.A N ALA 539.A O no hydrogen 2.877 N/A LYS 543.A N ALA 539.A O no hydrogen 2.561 N/A LYS 543.A NZ ASP 540.A OD2 no hydrogen 2.886 N/A LEU 545.A N ALA 542.A O no hydrogen 2.885 N/A GLN 546.A N ASP 549.A OD1 no hydrogen 3.236 N/A ASP 549.A N GLN 546.A O no hydrogen 3.029 N/A PHE 550.A N MET 547.A O no hydrogen 3.265 N/A GLU 551.A N ALA 421.A O no hydrogen 3.136 N/A LEU 552.A N ALA 560.A O no hydrogen 2.830 N/A LEU 553.A N ALA 419.A O no hydrogen 2.882 N/A CYS 554.A N ARG 558.A O no hydrogen 3.029 N/A CYS 554.A SG ARG 558.A O no hydrogen 3.531 N/A GLY 557.A N CYS 554.A O no hydrogen 3.228 N/A ARG 558.A N ASP 556.A OD1 no hydrogen 2.687 N/A ARG 558.A NH1 ASP 556.A OD2 no hydrogen 2.594 N/A ARG 558.A NH2 GLU 567.A O no hydrogen 3.080 N/A ARG 559.A NE GLU 551.A OE2 no hydrogen 3.099 N/A ARG 559.A NH1 VAL 427.A O no hydrogen 2.956 N/A ARG 559.A NH2 ARG 422.A O no hydrogen 2.912 N/A ALA 560.A N LEU 552.A O no hydrogen 2.937 N/A MET 563.A N ASN 561.A OD1 no hydrogen 2.547 N/A ASP 564.A N ASN 561.A O no hydrogen 2.812 N/A GLU 567.A N ASP 564.A O no hydrogen 2.891 N/A CYS 568.A N TYR 565.A O no hydrogen 3.088 N/A ASN 569.A ND2 TYR 565.A O no hydrogen 2.833 N/A LEU 570.A N ALA 417.A O no hydrogen 2.799 N/A VAL 573.A N TYR 415.A O no hydrogen 2.778 N/A THR 575.A OG1 GLU 403.A O no hydrogen 2.656 N/A THR 575.A OG1 HIS 576.A O no hydrogen 3.398 N/A HIS 576.A N TYR 405.A OH no hydrogen 3.349 N/A ALA 577.A N LEU 384.A O no hydrogen 3.026 N/A VAL 578.A N MET 401.A O no hydrogen 2.689 N/A VAL 579.A N VAL 382.A O no hydrogen 3.020 N/A VAL 580.A N VAL 398.A O no hydrogen 3.000 N/A ARG 581.A NE GLU 583.A OE2 no hydrogen 2.722 N/A ARG 581.A NH2 GLU 583.A OE2 no hydrogen 3.009 N/A LYS 584.A N ARG 581.A O no hydrogen 2.878 N/A ALA 585.A N PRO 582.A O no hydrogen 3.260 N/A LYS 587.A NZ ARG 334.A O no hydrogen 3.343 N/A ILE 588.A N LYS 584.A O no hydrogen 2.934 N/A ARG 589.A N ALA 585.A O no hydrogen 2.927 N/A ARG 589.A NE VAL 400.A O no hydrogen 2.929 N/A ARG 589.A NE VAL 631.A O no hydrogen 3.091 N/A ARG 589.A NH1 VAL 631.A O no hydrogen 2.657 N/A ARG 589.A NH1 GLU 633.A OE2 no hydrogen 3.558 N/A ARG 589.A NH2 GLU 633.A OE2 no hydrogen 2.881 N/A ASP 590.A N ASN 586.A O no hydrogen 3.339 N/A LEU 591.A N LYS 587.A O no hydrogen 2.924 N/A LEU 592.A N ILE 588.A O no hydrogen 2.870 N/A GLU 593.A N ARG 589.A O no hydrogen 2.852 N/A ARG 594.A N ASP 590.A O no hydrogen 3.134 N/A GLN 595.A N LEU 591.A O no hydrogen 3.199 N/A GLU 596.A N LEU 592.A O no hydrogen 3.109 N/A LYS 597.A N GLU 593.A O no hydrogen 3.351 N/A ARG 598.A N GLN 595.A O no hydrogen 2.997 N/A ARG 598.A NE GLU 605.A OE2 no hydrogen 3.105 N/A ARG 598.A NH2 GLU 605.A OE1 no hydrogen 3.239 N/A PHE 599.A N GLN 595.A O no hydrogen 2.785 N/A GLY 603.A N GLY 600.A O no hydrogen 2.922 N/A SER 604.A N LYS 597.A O no hydrogen 3.029 N/A SER 604.A OG LYS 597.A O no hydrogen 3.472 N/A GLU 605.A N ARG 598.A O no hydrogen 2.865 N/A LYS 606.A N GLY 603.A O no hydrogen 3.237 N/A LYS 608.A N GLU 605.A O no hydrogen 2.935 N/A MET 611.A N PHE 599.A O no hydrogen 2.978 N/A GLU 613.A N MET 610.A O no hydrogen 3.349 N/A SER 614.A OG ASP 623.A OD1 no hydrogen 3.277 N/A SER 614.A OG ASP 623.A OD2 no hydrogen 2.573 N/A ASN 616.A N SER 614.A O no hydrogen 2.675 N/A ASP 618.A N ASP 623.A OD1 no hydrogen 3.058 N/A LEU 619.A N SER 614.A OG no hydrogen 3.135 N/A LEU 620.A N GLU 344.A OE2 no hydrogen 2.740 N/A LYS 622.A N GLU 403.A OE1 no hydrogen 2.995 N/A LYS 622.A NZ GLN 525.A OE1 no hydrogen 2.871 N/A ASP 623.A N ASP 618.A OD1 no hydrogen 2.714 N/A THR 625.A N LYS 622.A O no hydrogen 3.112 N/A THR 625.A OG1 LYS 622.A O no hydrogen 2.936 N/A LYS 626.A N ARG 404.A O no hydrogen 2.855 N/A LYS 626.A NZ TYR 405.A O no hydrogen 2.883 N/A LYS 626.A NZ LEU 624.A O no hydrogen 2.839 N/A CYS 627.A SG ASP 407.A O no hydrogen 3.649 N/A CYS 627.A SG GLU 408.A O no hydrogen 3.033 N/A LEU 628.A N GLU 596.A OE1 no hydrogen 3.132 N/A LEU 628.A N GLU 596.A OE2 no hydrogen 3.297 N/A PHE 629.A N ALA 402.A O no hydrogen 2.864 N/A VAL 631.A N VAL 400.A O no hydrogen 2.857 N/A THR 635.A N ARG 632.A O no hydrogen 3.233 N/A THR 635.A OG1 ARG 632.A O no hydrogen 2.578 N/A THR 636.A N GLU 639.A OE1 no hydrogen 3.035 N/A GLU 639.A N THR 636.A OG1 no hydrogen 3.174 N/A PHE 640.A N THR 636.A O no hydrogen 3.037 N/A LEU 641.A N TYR 637.A O no hydrogen 2.914 N/A GLY 642.A N LYS 638.A O no hydrogen 2.959 N/A LYS 644.A NZ GLU 572.A O no hydrogen 3.320 N/A TYR 646.A N GLY 642.A O no hydrogen 2.998 N/A THR 647.A N ASP 643.A O no hydrogen 2.889 N/A THR 647.A OG1 ASP 643.A O no hydrogen 2.772 N/A VAL 648.A N LYS 644.A O no hydrogen 3.276 N/A ILE 649.A N PHE 645.A O no hydrogen 2.945 N/A SER 650.A N TYR 646.A O no hydrogen 2.861 N/A SER 650.A OG TYR 646.A O no hydrogen 2.701 N/A SER 651.A N THR 647.A O no hydrogen 3.262 N/A SER 651.A OG THR 647.A O no hydrogen 3.201 N/A LEU 652.A N VAL 648.A O no hydrogen 3.091 N/A LYS 653.A N ILE 649.A O no hydrogen 3.022 N/A THR 654.A N SER 651.A O no hydrogen 3.022 N/A THR 654.A OG1 SER 651.A O no hydrogen 2.596 N/A CYS 655.A N LEU 652.A O no hydrogen 2.942 N/A CYS 655.A SG THR 461.A O no hydrogen 3.962 N/A LEU 661.A N SER 658.A OG no hydrogen 3.255 N/A GLN 662.A N SER 658.A O no hydrogen 2.997 N/A GLN 662.A NE2 PRO 657.A O no hydrogen 2.680 N/A GLN 662.A NE2 SER 658.A O no hydrogen 3.271 N/A MET 663.A N ASP 659.A O no hydrogen 2.889 N/A CYS 664.A N ILE 660.A O no hydrogen 2.910 N/A CYS 664.A SG ILE 660.A O no hydrogen 3.458 N/A SER 665.A N LEU 661.A O no hydrogen 2.787 N/A SER 665.A OG LEU 661.A O no hydrogen 2.817 N/A PHE 666.A N GLN 662.A O no hydrogen 2.965 N/A LEU 667.A N MET 663.A O no hydrogen 3.223 N/A GLU 668.A N CYS 664.A O no hydrogen 2.969 N/A GLU 668.A N SER 665.A O no hydrogen 2.917 N/A GLY 669.A N PHE 666.A O no hydrogen 2.952 N/A LYS 670.A N SER 665.A O no hydrogen 2.760 N/A