Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iul_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 7.A NE GLU 34.A OE2 no hydrogen 2.793 N/A ARG 7.A NH2 GLU 34.A OE1 no hydrogen 3.022 N/A GLY 9.A N PRO 23.A O no hydrogen 2.801 N/A GLN 11.A NE2 VAL 12.A O no hydrogen 3.384 N/A GLN 11.A NE2 ASP 13.A OD1 no hydrogen 3.327 N/A ASP 13.A N VAL 20.A O no hydrogen 2.747 N/A TYR 15.A N GLN 18.A O no hydrogen 2.829 N/A GLN 18.A N TYR 15.A O no hydrogen 2.733 N/A VAL 20.A N ASP 13.A O no hydrogen 2.628 N/A ASP 22.A N GLN 11.A O no hydrogen 2.924 N/A ARG 25.A N ASP 22.A O no hydrogen 3.177 N/A ARG 25.A NH1 ASP 13.A OD1 no hydrogen 3.382 N/A ARG 25.A NH1 ASP 13.A OD2 no hydrogen 2.923 N/A ARG 25.A NH1 ASP 22.A OD2 no hydrogen 2.896 N/A ARG 25.A NH2 ASP 13.A OD1 no hydrogen 3.055 N/A TRP 26.A NE1 ARG 7.A O no hydrogen 2.890 N/A LEU 27.A N TYR 24.A O no hydrogen 2.925 N/A GLU 28.A N ARG 25.A O no hydrogen 2.950 N/A ASP 29.A N TRP 26.A O no hydrogen 3.267 N/A ARG 31.A N ASP 29.A OD1 no hydrogen 3.025 N/A SER 32.A N ASP 29.A O no hydrogen 3.345 N/A SER 32.A OG ASP 29.A O no hydrogen 3.491 N/A SER 32.A OG THR 35.A OG1 no hydrogen 3.160 N/A THR 35.A N SER 32.A OG no hydrogen 3.067 N/A THR 35.A OG1 ASP 29.A O no hydrogen 2.939 N/A THR 35.A OG1 SER 32.A OG no hydrogen 3.160 N/A GLU 36.A N SER 32.A O no hydrogen 2.994 N/A ALA 37.A N PRO 33.A O no hydrogen 2.993 N/A TRP 38.A N GLU 34.A O no hydrogen 3.033 N/A TRP 38.A NE1 THR 6.A OG1 no hydrogen 2.785 N/A VAL 39.A N THR 35.A O no hydrogen 2.840 N/A LYS 40.A N GLU 36.A O no hydrogen 3.128 N/A ALA 41.A N ALA 37.A O no hydrogen 2.955 N/A GLN 42.A N TRP 38.A O no hydrogen 2.811 N/A GLN 42.A NE2 GLN 620.A OE1 no hydrogen 2.896 N/A ASN 43.A N VAL 39.A O no hydrogen 3.001 N/A ALA 44.A N LYS 40.A O no hydrogen 3.074 N/A VAL 45.A N ALA 41.A O no hydrogen 3.171 N/A THR 46.A N GLN 42.A O no hydrogen 2.914 N/A THR 46.A OG1 GLN 42.A O no hydrogen 3.217 N/A THR 46.A OG1 ILE 631.A O no hydrogen 2.645 N/A GLN 47.A N ASN 43.A O no hydrogen 2.856 N/A ASP 48.A N ALA 44.A O no hydrogen 3.039 N/A TYR 49.A N VAL 45.A O no hydrogen 3.122 N/A TYR 49.A OH GLU 654.A OE2 no hydrogen 2.626 N/A LEU 50.A N THR 46.A O no hydrogen 2.977 N/A ALA 51.A N GLN 47.A O no hydrogen 2.849 N/A GLN 52.A N TYR 49.A O no hydrogen 3.221 N/A GLN 52.A NE2 ASP 48.A O no hydrogen 2.987 N/A ILE 53.A N LEU 50.A O no hydrogen 3.048 N/A TYR 55.A OH TYR 656.A O no hydrogen 2.651 N/A ARG 56.A N ILE 53.A O no hydrogen 3.322 N/A ARG 56.A NH1 GLN 47.A OE1 no hydrogen 3.463 N/A ARG 56.A NH1 ASP 646.A OD1 no hydrogen 2.840 N/A ILE 59.A N TYR 55.A O no hydrogen 3.051 N/A LYS 60.A N ARG 56.A O no hydrogen 2.994 N/A GLU 61.A N ALA 57.A O no hydrogen 2.956 N/A LYS 62.A N ALA 58.A O no hydrogen 3.108 N/A LYS 62.A NZ ASN 462.A O no hydrogen 2.764 N/A LEU 63.A N ILE 59.A O no hydrogen 3.060 N/A ALA 64.A N LYS 60.A O no hydrogen 2.820 N/A ALA 65.A N GLU 61.A O no hydrogen 3.079 N/A SER 66.A N LYS 62.A O no hydrogen 3.184 N/A SER 66.A N LEU 63.A O no hydrogen 3.306 N/A SER 66.A OG LYS 62.A O no hydrogen 3.026 N/A SER 66.A OG LEU 63.A O no hydrogen 3.448 N/A LYS 71.A N ASN 87.A O no hydrogen 2.872 N/A GLY 73.A N PHE 85.A O no hydrogen 2.936 N/A PHE 76.A N TYR 83.A O no hydrogen 2.776 N/A ARG 77.A NE GLY 79.A O no hydrogen 2.661 N/A GLU 78.A N TYR 81.A O no hydrogen 3.022 N/A ARG 80.A NH2 TYR 81.A OH no hydrogen 2.848 N/A TYR 81.A N GLU 78.A O no hydrogen 3.243 N/A TYR 81.A OH GLU 153.A OE2 no hydrogen 3.290 N/A HIS 82.A N GLN 99.A O no hydrogen 3.196 N/A TYR 83.A N PHE 76.A O no hydrogen 2.690 N/A PHE 84.A N TRP 97.A O no hydrogen 3.134 N/A LYS 86.A N VAL 95.A O no hydrogen 2.775 N/A ASN 87.A N LYS 71.A O no hydrogen 3.099 N/A ASN 87.A ND2 GLN 91.A O no hydrogen 3.078 N/A ASN 87.A ND2 ASN 94.A OD1 no hydrogen 2.822 N/A ASP 88.A N GLN 91.A OE1 no hydrogen 2.898 N/A GLY 89.A N ASN 87.A OD1 no hydrogen 2.939 N/A LEU 90.A N ASP 88.A OD1 no hydrogen 2.643 N/A GLN 91.A N ASP 88.A OD1 no hydrogen 2.864 N/A GLN 93.A N ASN 112.A OD1 no hydrogen 2.969 N/A GLN 93.A NE2 GLY 118.A O no hydrogen 3.643 N/A GLN 93.A NE2 THR 120.A O no hydrogen 2.790 N/A VAL 95.A N LYS 86.A O no hydrogen 2.703 N/A LEU 96.A N LEU 109.A O no hydrogen 2.898 N/A TRP 97.A N PHE 84.A O no hydrogen 2.774 N/A ARG 98.A N GLU 106.A O no hydrogen 2.753 N/A ARG 98.A NE GLU 106.A OE2 no hydrogen 3.260 N/A ARG 98.A NH1 TYR 83.A OH no hydrogen 3.373 N/A ARG 98.A NH1 VAL 152.A O no hydrogen 3.130 N/A ARG 98.A NH2 GLU 106.A OE2 no hydrogen 3.184 N/A GLN 99.A N HIS 82.A O no hydrogen 3.018 N/A LYS 103.A N GLN 100.A O no hydrogen 3.389 N/A GLU 106.A N ARG 98.A O no hydrogen 2.669 N/A PHE 108.A N LEU 96.A O no hydrogen 2.754 N/A LEU 109.A N LEU 96.A O no hydrogen 3.047 N/A ASN 112.A N ASP 110.A OD1 no hydrogen 2.944 N/A ASN 112.A ND2 GLN 93.A O no hydrogen 2.911 N/A ASN 112.A ND2 ASP 110.A OD1 no hydrogen 2.700 N/A THR 113.A N ASP 110.A O no hydrogen 3.201 N/A THR 113.A OG1 ASP 110.A O no hydrogen 2.799 N/A LEU 114.A N PRO 111.A O no hydrogen 3.067 N/A GLY 118.A N SER 115.A O no hydrogen 3.093 N/A THR 119.A OG1 ASP 117.A OD1 no hydrogen 2.723 N/A THR 120.A N SER 115.A OG no hydrogen 3.138 N/A ALA 121.A N SER 139.A O no hydrogen 3.380 N/A LEU 122.A N GLN 93.A OE1 no hydrogen 3.035 N/A ASP 123.A N SER 137.A O no hydrogen 2.809 N/A GLN 124.A N SER 137.A OG no hydrogen 2.760 N/A GLN 124.A NE2 ASP 123.A OD1 no hydrogen 3.243 N/A SER 126.A N ALA 135.A O no hydrogen 2.817 N/A SER 126.A OG ILE 170.A O no hydrogen 3.538 N/A SER 128.A N ILE 133.A O no hydrogen 2.875 N/A SER 128.A OG ASP 130.A OD1 no hydrogen 2.606 N/A SER 128.A OG ILE 133.A O no hydrogen 3.449 N/A ARG 129.A N GLY 174.A O no hydrogen 3.080 N/A ARG 129.A NE ASP 230.A OD2 no hydrogen 2.967 N/A ARG 129.A NH2 ASP 230.A OD1 no hydrogen 2.621 N/A ASP 130.A N ASN 175.A OD1 no hydrogen 2.758 N/A GLY 131.A N SER 128.A O no hydrogen 2.856 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.770 N/A ILE 133.A N SER 128.A OG no hydrogen 3.081 N/A ALA 135.A N SER 126.A O no hydrogen 2.916 N/A TYR 136.A N HIS 149.A O no hydrogen 2.916 N/A SER 137.A N GLN 124.A O no hydrogen 2.826 N/A LEU 138.A N GLU 147.A O no hydrogen 2.944 N/A SER 139.A N ALA 121.A O no hydrogen 2.898 N/A SER 139.A OG ALA 121.A O no hydrogen 3.372 N/A TRP 145.A N SER 143.A OG no hydrogen 3.153 N/A ARG 146.A N VAL 165.A O no hydrogen 2.685 N/A ARG 146.A NE ASP 123.A OD2 no hydrogen 2.631 N/A ARG 146.A NH1 SER 143.A O no hydrogen 3.105 N/A ARG 146.A NH1 TRP 145.A O no hydrogen 3.085 N/A ARG 146.A NH2 ASP 123.A OD2 no hydrogen 3.297 N/A GLU 147.A N LEU 138.A O no hydrogen 3.198 N/A ILE 148.A N LEU 162.A O no hydrogen 2.849 N/A HIS 149.A N TYR 136.A O no hydrogen 2.702 N/A VAL 152.A N ARG 132.A O no hydrogen 3.013 N/A SER 154.A N ASP 151.A OD2 no hydrogen 2.848 N/A SER 154.A OG ASP 151.A OD2 no hydrogen 2.874 N/A LYS 155.A N ASP 151.A O no hydrogen 2.673 N/A GLN 156.A N SER 154.A OG no hydrogen 3.138 N/A GLN 156.A NE2 SER 154.A O no hydrogen 3.423 N/A LEU 158.A N LEU 150.A O no hydrogen 2.782 N/A LEU 162.A N ILE 148.A O no hydrogen 2.826 N/A LYS 163.A N GLN 204.A OE1 no hydrogen 3.001 N/A LYS 163.A NZ GLU 147.A OE2 no hydrogen 2.617 N/A VAL 165.A N ARG 146.A O no hydrogen 3.205 N/A LYS 166.A N SER 181.A O no hydrogen 3.465 N/A SER 168.A OG GLY 169.A O no hydrogen 2.653 N/A SER 171.A N PHE 179.A O no hydrogen 3.165 N/A TRP 172.A NE1 SER 126.A O no hydrogen 2.885 N/A LEU 173.A N GLY 177.A O no hydrogen 2.819 N/A GLY 174.A N ASP 230.A OD1 no hydrogen 2.883 N/A GLU 176.A N LEU 173.A O no hydrogen 3.120 N/A PHE 178.A N HIS 198.A O no hydrogen 3.063 N/A PHE 179.A N SER 171.A O no hydrogen 2.794 N/A TYR 180.A N TYR 196.A O no hydrogen 3.087 N/A TYR 180.A OH ASP 207.A OD2 no hydrogen 2.542 N/A SER 181.A N SER 168.A OG no hydrogen 2.760 N/A SER 181.A OG VAL 222.A O no hydrogen 2.826 N/A SER 182.A N LYS 194.A O no hydrogen 2.914 N/A SER 182.A OG ASP 164.A O no hydrogen 2.687 N/A SER 182.A OG ASP 184.A O no hydrogen 3.191 N/A TYR 183.A OH ARG 220.A O no hydrogen 2.606 N/A ASP 184.A N SER 182.A OG no hydrogen 3.183 N/A ARG 189.A NH1 ASP 164.A OD2 no hydrogen 3.115 N/A ARG 189.A NH1 ASP 184.A OD2 no hydrogen 2.644 N/A GLN 192.A N THR 190.A OG1 no hydrogen 3.307 N/A HIS 193.A N HIS 219.A O no hydrogen 2.911 N/A HIS 193.A NE2 LYS 166.A O no hydrogen 2.723 N/A LYS 194.A N SER 182.A O no hydrogen 2.858 N/A LYS 194.A NZ TYR 183.A O no hydrogen 2.994 N/A LYS 194.A NZ GLN 192.A O no hydrogen 2.821 N/A VAL 195.A N PHE 211.A O no hydrogen 2.893 N/A TYR 196.A N TYR 180.A O no hydrogen 2.940 N/A PHE 197.A N ARG 208.A O no hydrogen 2.961 N/A HIS 198.A N PHE 178.A O no hydrogen 2.850 N/A HIS 198.A ND1 ASP 207.A OD1 no hydrogen 2.658 N/A HIS 198.A NE2 GLU 159.A OE1 no hydrogen 2.743 N/A ARG 199.A NH1 GLU 176.A OE1 no hydrogen 3.074 N/A LEU 200.A N GLU 176.A O no hydrogen 2.919 N/A GLY 201.A N GLU 159.A OE2 no hydrogen 2.656 N/A THR 202.A OG1 ARG 199.A O no hydrogen 2.603 N/A GLN 204.A NE2 LYS 163.A O no hydrogen 2.993 N/A GLN 204.A NE2 TYR 180.A OH no hydrogen 3.236 N/A ASP 206.A N ALA 203.A O no hydrogen 2.879 N/A ASP 207.A N GLN 204.A O no hydrogen 2.852 N/A ARG 208.A N PHE 197.A O no hydrogen 3.279 N/A VAL 210.A N VAL 195.A O no hydrogen 2.763 N/A PHE 211.A N VAL 195.A O no hydrogen 3.364 N/A GLY 212.A N GLN 217.A OE1 no hydrogen 2.866 N/A GLN 217.A N ILE 214.A O no hydrogen 2.827 N/A HIS 218.A N PRO 215.A O no hydrogen 3.140 N/A HIS 218.A NE2 ALA 213.A O no hydrogen 2.851 N/A HIS 219.A ND1 GLN 217.A O no hydrogen 2.898 N/A ARG 220.A NH1 ASN 239.A O no hydrogen 2.837 N/A TYR 221.A N ALA 238.A O no hydrogen 2.874 N/A VAL 222.A N HIS 193.A ND1 no hydrogen 2.984 N/A GLY 223.A N SER 236.A O no hydrogen 2.941 N/A THR 225.A N LEU 234.A O no hydrogen 2.931 N/A VAL 226.A N SER 171.A OG no hydrogen 2.807 N/A THR 227.A N PHE 232.A O no hydrogen 2.841 N/A THR 227.A OG1 ASP 229.A OD1 no hydrogen 2.661 N/A THR 227.A OG1 PHE 232.A O no hydrogen 3.552 N/A ASP 230.A N THR 227.A O no hydrogen 2.795 N/A ARG 231.A N ASP 229.A OD1 no hydrogen 3.040 N/A ARG 231.A NE ASP 250.A OD1 no hydrogen 3.353 N/A ARG 231.A NH2 ASP 250.A OD2 no hydrogen 3.012 N/A PHE 232.A N THR 227.A OG1 no hydrogen 3.061 N/A LEU 233.A N LYS 249.A O no hydrogen 3.084 N/A LEU 234.A N THR 225.A O no hydrogen 2.773 N/A ILE 235.A N TYR 247.A O no hydrogen 2.896 N/A SER 236.A N GLY 223.A O no hydrogen 2.946 N/A ALA 237.A N ARG 245.A O no hydrogen 3.031 N/A ALA 238.A N TYR 221.A O no hydrogen 2.792 N/A SER 240.A OG SER 242.A O no hydrogen 3.519 N/A SER 242.A N SER 240.A OG no hydrogen 3.156 N/A GLY 243.A N ASP 268.A OD1 no hydrogen 2.755 N/A ASN 244.A N ALA 267.A O no hydrogen 3.051 N/A ASN 244.A ND2 ARG 245.A O no hydrogen 2.998 N/A ASN 244.A ND2 VAL 269.A O no hydrogen 2.967 N/A ARG 245.A N ALA 237.A O no hydrogen 2.716 N/A ARG 245.A NE GLY 263.A O no hydrogen 2.812 N/A ARG 245.A NH1 HIS 219.A NE2 no hydrogen 2.923 N/A LEU 246.A N GLN 262.A O no hydrogen 2.962 N/A TYR 247.A N ILE 235.A O no hydrogen 2.893 N/A VAL 248.A N LEU 259.A O no hydrogen 2.819 N/A LYS 249.A N LEU 233.A O no hydrogen 2.970 N/A LEU 251.A N ARG 231.A O no hydrogen 2.716 N/A SER 252.A N ASP 250.A OD1 no hydrogen 2.950 N/A SER 252.A OG ASP 250.A OD1 no hydrogen 2.588 N/A GLN 253.A N ASP 250.A O no hydrogen 3.204 N/A GLN 253.A NE2 ASP 250.A OD2 no hydrogen 2.768 N/A LEU 259.A N VAL 248.A O no hydrogen 2.802 N/A VAL 261.A N LEU 246.A O no hydrogen 2.742 N/A GLN 262.A N LEU 246.A O no hydrogen 3.086 N/A GLN 262.A NE2 ASN 244.A O no hydrogen 2.803 N/A GLN 262.A NE2 ASP 264.A O no hydrogen 3.111 N/A GLN 262.A NE2 ALA 267.A O no hydrogen 2.888 N/A ASP 266.A N ASP 264.A OD1 no hydrogen 2.956 N/A ASP 268.A N ASN 284.A OD1 no hydrogen 2.737 N/A VAL 269.A N ASN 244.A OD1 no hydrogen 3.016 N/A SER 270.A N LEU 282.A O no hydrogen 2.957 N/A VAL 272.A N TYR 280.A O no hydrogen 2.837 N/A ASP 273.A N TYR 280.A O no hydrogen 3.472 N/A ASN 274.A ND2 ASP 229.A OD2 no hydrogen 3.039 N/A ASN 274.A ND2 GLY 276.A O no hydrogen 2.905 N/A LYS 275.A N THR 278.A O no hydrogen 2.862 N/A SER 277.A OG ASP 296.A OD1 no hydrogen 2.693 N/A THR 278.A N LYS 275.A O no hydrogen 2.989 N/A LEU 279.A N VAL 295.A O no hydrogen 2.813 N/A TYR 280.A N ASP 273.A O no hydrogen 2.889 N/A TYR 280.A OH TYR 341.A O no hydrogen 2.627 N/A LEU 281.A N VAL 293.A O no hydrogen 2.812 N/A LEU 282.A N SER 270.A O no hydrogen 2.921 N/A THR 283.A N ARG 291.A O no hydrogen 3.051 N/A THR 283.A OG1 ASP 268.A O no hydrogen 2.812 N/A ASN 284.A N ASP 268.A O no hydrogen 3.207 N/A ARG 285.A N THR 283.A OG1 no hydrogen 2.931 N/A ARG 285.A NH1 GLN 262.A OE1 no hydrogen 2.927 N/A ARG 285.A NH1 ASP 264.A OD1 no hydrogen 2.997 N/A ARG 285.A NH1 ASP 264.A OD2 no hydrogen 3.432 N/A ARG 285.A NH2 ASP 264.A OD2 no hydrogen 3.068 N/A ALA 287.A N ASN 284.A O no hydrogen 2.883 N/A ASN 289.A N GLU 311.A OE1 no hydrogen 2.954 N/A ASN 289.A ND2 ARG 312.A O no hydrogen 2.970 N/A ARG 290.A N ALA 287.A O no hydrogen 2.730 N/A ARG 290.A NE LEU 316.A O no hydrogen 2.611 N/A ARG 291.A N THR 283.A O no hydrogen 2.962 N/A ARG 291.A NE ARG 285.A O no hydrogen 3.115 N/A ARG 291.A NH1 ASP 307.A OD1 no hydrogen 2.785 N/A ARG 291.A NH2 ARG 285.A O no hydrogen 2.972 N/A LEU 292.A N ILE 309.A O no hydrogen 2.978 N/A VAL 293.A N LEU 281.A O no hydrogen 2.802 N/A THR 294.A N ARG 306.A O no hydrogen 2.871 N/A VAL 295.A N LEU 279.A O no hydrogen 3.073 N/A ALA 297.A N SER 277.A O no hydrogen 2.838 N/A ALA 298.A N ASP 296.A OD2 no hydrogen 3.054 N/A ASN 299.A N ASP 296.A O no hydrogen 3.153 N/A HIS 304.A N GLY 301.A O no hydrogen 2.811 N/A TRP 305.A N PRO 302.A O no hydrogen 3.149 N/A TRP 305.A NE1 PRO 300.A O no hydrogen 2.854 N/A ARG 306.A N THR 294.A O no hydrogen 3.016 N/A LEU 308.A N LEU 292.A O no hydrogen 2.755 N/A ILE 309.A N LEU 292.A O no hydrogen 2.997 N/A ARG 312.A NH2 GLU 337.A OE2 no hydrogen 2.507 N/A LEU 316.A N ASN 289.A O no hydrogen 2.876 N/A THR 317.A N GLU 328.A O no hydrogen 2.950 N/A HIS 319.A N PHE 326.A O no hydrogen 2.908 N/A HIS 319.A NE2 GLU 328.A OE1 no hydrogen 2.839 N/A GLY 321.A N TYR 324.A O no hydrogen 3.039 N/A SER 322.A N LYS 363.A O no hydrogen 2.876 N/A SER 322.A OG ASP 366.A O no hydrogen 2.784 N/A TYR 324.A N GLY 321.A O no hydrogen 3.013 N/A LEU 325.A N PHE 339.A O no hydrogen 2.840 N/A PHE 326.A N HIS 319.A O no hydrogen 2.740 N/A ALA 327.A N GLU 337.A O no hydrogen 2.771 N/A GLU 328.A N THR 317.A O no hydrogen 2.714 N/A TYR 329.A N ARG 335.A O no hydrogen 3.002 N/A THR 333.A N VAL 330.A O no hydrogen 3.123 N/A THR 333.A OG1 VAL 330.A O no hydrogen 3.503 N/A ALA 334.A N GLY 355.A O no hydrogen 2.900 N/A ARG 335.A N TYR 329.A O no hydrogen 3.014 N/A ARG 335.A NH1 THR 333.A OG1 no hydrogen 2.826 N/A ARG 335.A NH1 ALA 334.A O no hydrogen 2.824 N/A GLU 337.A N ALA 327.A O no hydrogen 2.862 N/A GLN 338.A N ARG 347.A O no hydrogen 2.874 N/A GLN 338.A NE2 PRO 387.A O no hydrogen 2.923 N/A PHE 339.A N LEU 325.A O no hydrogen 2.748 N/A ASP 340.A N LYS 344.A O no hydrogen 3.086 N/A TYR 341.A OH ASP 273.A OD2 no hydrogen 2.648 N/A GLU 342.A N ASP 340.A OD1 no hydrogen 2.759 N/A GLY 343.A N ASP 340.A O no hydrogen 2.887 N/A LYS 344.A N ASP 340.A OD1 no hydrogen 2.985 N/A VAL 346.A N GLN 338.A O no hydrogen 2.696 N/A ARG 347.A N GLN 338.A O no hydrogen 3.407 N/A ARG 347.A NH1 GLN 338.A OE1 no hydrogen 2.649 N/A ARG 347.A NH1 PRO 387.A O no hydrogen 2.968 N/A ARG 347.A NH1 LYS 388.A O no hydrogen 3.449 N/A ARG 347.A NH2 LYS 388.A O no hydrogen 2.737 N/A VAL 349.A N VAL 336.A O no hydrogen 2.727 N/A LEU 351.A N VAL 349.A O no hydrogen 3.051 N/A SER 356.A N GLU 374.A O no hydrogen 2.859 N/A SER 356.A OG PRO 454.A O no hydrogen 2.513 N/A SER 358.A N GLY 372.A O no hydrogen 3.096 N/A PHE 360.A N TYR 370.A O no hydrogen 3.045 N/A ASN 361.A ND2 HIS 319.A ND1 no hydrogen 2.810 N/A GLY 362.A N SER 320.A O no hydrogen 2.914 N/A LYS 363.A N ASP 366.A OD2 no hydrogen 2.851 N/A LYS 363.A NZ ARG 77.A O no hydrogen 3.022 N/A LYS 363.A NZ GLU 78.A OE1 no hydrogen 3.183 N/A HIS 364.A N GLU 228.A OE2 no hydrogen 2.596 N/A HIS 364.A NE2 ASP 273.A OD2 no hydrogen 2.804 N/A ASP 366.A N LYS 363.A O no hydrogen 3.199 N/A LEU 369.A N PHE 385.A O no hydrogen 3.023 N/A PHE 371.A N TYR 383.A O no hydrogen 3.067 N/A GLY 372.A N SER 358.A O no hydrogen 2.815 N/A PHE 373.A N THR 381.A O no hydrogen 2.949 N/A GLU 374.A N SER 356.A O no hydrogen 3.176 N/A ASN 375.A N GLN 378.A O no hydrogen 3.082 N/A ASN 375.A ND2 LEU 354.A O no hydrogen 2.936 N/A ALA 377.A N ASN 375.A OD1 no hydrogen 2.886 N/A GLN 378.A N ASN 375.A O no hydrogen 3.250 N/A GLN 378.A NE2 TYR 383.A OH no hydrogen 3.250 N/A THR 381.A N PHE 373.A O no hydrogen 2.937 N/A THR 381.A OG1 PHE 373.A O no hydrogen 3.361 N/A LEU 382.A N ARG 396.A O no hydrogen 2.996 N/A TYR 383.A N PHE 371.A O no hydrogen 2.840 N/A ARG 384.A N SER 393.A O no hydrogen 2.753 N/A ARG 384.A NE GLU 386.A OE2 no hydrogen 2.601 N/A ARG 384.A NH2 GLU 386.A OE1 no hydrogen 3.384 N/A PHE 385.A N LEU 369.A O no hydrogen 2.690 N/A GLU 386.A N ALA 391.A O no hydrogen 2.852 N/A GLY 390.A N GLU 386.A O no hydrogen 2.616 N/A ALA 391.A N SER 389.A OG no hydrogen 3.181 N/A SER 393.A N ARG 384.A O no hydrogen 2.982 N/A TYR 395.A N LEU 382.A O no hydrogen 2.759 N/A ARG 396.A N LEU 382.A O no hydrogen 3.079 N/A ARG 396.A NH1 TYR 395.A O no hydrogen 2.802 N/A ALA 400.A N SER 398.A OG no hydrogen 2.984 N/A PHE 402.A N ALA 400.A O no hydrogen 2.599 N/A GLU 405.A N GLU 405.A OE2 no hydrogen 2.788 N/A ASP 406.A N LYS 403.A O no hydrogen 2.781 N/A TYR 407.A N PRO 404.A O no hydrogen 3.199 N/A TYR 407.A OH ASP 465.A OD1 no hydrogen 2.473 N/A TYR 407.A OH ASP 465.A OD2 no hydrogen 3.327 N/A VAL 408.A N TYR 428.A O no hydrogen 2.835 N/A SER 409.A OG SER 427.A OG no hydrogen 2.997 N/A GLU 410.A N ILE 426.A O no hydrogen 2.899 N/A GLN 411.A NE2 ASP 331.A O no hydrogen 2.894 N/A ARG 412.A N LEU 424.A O no hydrogen 2.682 N/A ARG 412.A NE GLU 410.A OE1 no hydrogen 2.701 N/A ARG 412.A NH1 TYR 507.A OH no hydrogen 2.762 N/A ARG 412.A NH1 GLU 511.A OE1 no hydrogen 3.053 N/A TYR 414.A N VAL 422.A O no hydrogen 2.888 N/A TYR 414.A OH ASP 500.A O no hydrogen 2.688 N/A SER 416.A N THR 420.A O no hydrogen 2.780 N/A SER 416.A OG ASP 500.A OD1 no hydrogen 2.515 N/A LYS 417.A NZ ASP 499.A OD1 no hydrogen 3.421 N/A LYS 417.A NZ ASP 499.A OD2 no hydrogen 3.188 N/A GLY 419.A N SER 416.A O no hydrogen 2.868 N/A THR 420.A N ASP 418.A OD1 no hydrogen 2.905 N/A THR 420.A OG1 ASP 418.A OD1 no hydrogen 2.500 N/A THR 420.A OG1 ASP 418.A OD2 no hydrogen 3.534 N/A VAL 422.A N TYR 414.A O no hydrogen 2.734 N/A LEU 424.A N ARG 412.A O no hydrogen 2.795 N/A ILE 425.A N VAL 472.A O no hydrogen 2.923 N/A ILE 426.A N GLU 410.A O no hydrogen 2.823 N/A SER 427.A N TYR 470.A O no hydrogen 2.836 N/A SER 427.A OG SER 409.A OG no hydrogen 2.997 N/A TYR 428.A N VAL 408.A O no hydrogen 2.986 N/A TYR 428.A OH GLU 410.A OE2 no hydrogen 2.613 N/A LYS 430.A N ASP 406.A O no hydrogen 2.732 N/A ASP 435.A N LYS 433.A O no hydrogen 2.699 N/A GLY 436.A N GLY 512.A O no hydrogen 2.569 N/A SER 437.A N ASP 435.A OD1 no hydrogen 3.051 N/A SER 437.A OG ASP 435.A OD1 no hydrogen 2.778 N/A SER 437.A OG ASP 435.A OD2 no hydrogen 3.462 N/A ASN 438.A ND2 LYS 433.A O no hydrogen 3.011 N/A ASN 438.A ND2 TYR 513.A O no hydrogen 2.732 N/A THR 440.A N ARG 518.A O no hydrogen 2.812 N/A THR 440.A OG1 ASN 438.A O no hydrogen 2.838 N/A ILE 441.A N VAL 469.A O no hydrogen 2.964 N/A LEU 442.A N ALA 520.A O no hydrogen 2.889 N/A TYR 443.A N ALA 471.A O no hydrogen 2.747 N/A GLY 444.A N ARG 522.A O no hydrogen 3.445 N/A PHE 448.A N ASP 566.A OD1 no hydrogen 2.756 N/A ASP 449.A N GLY 477.A O no hydrogen 3.143 N/A VAL 450.A N GLY 447.A O no hydrogen 3.042 N/A LEU 452.A N GLU 480.A OE2 no hydrogen 2.983 N/A PHE 456.A N GLU 374.A OE1 no hydrogen 2.684 N/A SER 459.A OG SER 644.A OG no hydrogen 2.920 N/A SER 459.A OG TYR 648.A OH no hydrogen 2.642 N/A VAL 460.A N SER 457.A OG no hydrogen 3.145 N/A ALA 461.A N SER 457.A O no hydrogen 2.972 N/A ASN 462.A N VAL 458.A O no hydrogen 2.950 N/A ASN 462.A ND2 SER 66.A OG no hydrogen 3.038 N/A ASN 462.A ND2 VAL 458.A O no hydrogen 2.785 N/A TRP 463.A N SER 459.A O no hydrogen 3.157 N/A TRP 463.A NE1 VAL 469.A O no hydrogen 2.996 N/A LEU 464.A N VAL 460.A O no hydrogen 2.961 N/A ASP 465.A N ALA 461.A O no hydrogen 2.982 N/A LEU 466.A N TRP 463.A O no hydrogen 2.975 N/A GLY 467.A N LEU 464.A O no hydrogen 2.971 N/A GLY 468.A N TRP 463.A O no hydrogen 3.001 N/A VAL 469.A N PRO 439.A O no hydrogen 2.875 N/A TYR 470.A N SER 427.A O no hydrogen 2.972 N/A ALA 471.A N ILE 441.A O no hydrogen 2.953 N/A VAL 472.A N ILE 425.A O no hydrogen 2.841 N/A ALA 473.A N TYR 443.A O no hydrogen 3.027 N/A ASN 474.A N PRO 423.A O no hydrogen 3.005 N/A ARG 476.A N ASP 500.A OD2 no hydrogen 3.151 N/A ARG 476.A NE ASP 500.A OD2 no hydrogen 2.929 N/A ARG 476.A NH1 ASP 418.A OD2 no hydrogen 2.860 N/A ARG 476.A NH2 ASP 418.A OD1 no hydrogen 3.470 N/A ARG 476.A NH2 ASP 418.A OD2 no hydrogen 3.233 N/A ARG 476.A NH2 ASP 500.A OD1 no hydrogen 2.760 N/A GLY 477.A N TRP 485.A O no hydrogen 2.786 N/A GLY 478.A N LEU 475.A O no hydrogen 3.435 N/A GLY 479.A N VAL 450.A O no hydrogen 3.057 N/A GLU 480.A N GLU 480.A OE1 no hydrogen 2.681 N/A TYR 481.A OH ASP 331.A OD1 no hydrogen 2.593 N/A TRP 485.A N GLY 482.A O no hydrogen 3.172 N/A HIS 486.A N GLY 482.A O no hydrogen 3.319 N/A HIS 486.A NE2 ASP 566.A OD2 no hydrogen 2.754 N/A LEU 487.A N GLN 483.A O no hydrogen 2.882 N/A ALA 488.A N ALA 484.A O no hydrogen 3.092 N/A GLY 489.A N HIS 486.A O no hydrogen 2.826 N/A THR 490.A N LEU 487.A O no hydrogen 3.108 N/A THR 490.A OG1 LEU 487.A O no hydrogen 2.911 N/A GLN 491.A N ASP 566.A O no hydrogen 2.570 N/A GLN 491.A NE2 TYR 565.A O no hydrogen 2.962 N/A ASN 493.A N THR 490.A O no hydrogen 2.825 N/A LYS 494.A N GLN 491.A O no hydrogen 3.148 N/A LYS 494.A NZ GLY 446.A O no hydrogen 3.044 N/A GLN 495.A N TYR 578.A OH no hydrogen 2.966 N/A GLN 495.A NE2 ASP 499.A OD1 no hydrogen 3.045 N/A ASN 496.A N ASN 493.A O no hydrogen 2.952 N/A ASN 496.A ND2 ALA 488.A O no hydrogen 2.800 N/A VAL 497.A N LYS 494.A O no hydrogen 2.884 N/A ASP 499.A N GLN 495.A O no hydrogen 2.971 N/A ASP 500.A N ASN 496.A O no hydrogen 2.920 N/A PHE 501.A N VAL 497.A O no hydrogen 3.055 N/A ILE 502.A N PHE 498.A O no hydrogen 2.817 N/A ALA 503.A N ASP 499.A O no hydrogen 2.866 N/A ALA 504.A N ASP 500.A O no hydrogen 3.020 N/A ALA 505.A N PHE 501.A O no hydrogen 3.125 N/A GLU 506.A N ILE 502.A O no hydrogen 3.105 N/A TYR 507.A N ALA 503.A O no hydrogen 2.962 N/A LEU 508.A N ALA 504.A O no hydrogen 3.085 N/A LYS 509.A N ALA 505.A O no hydrogen 3.291 N/A LYS 509.A NZ THR 516.A OG1 no hydrogen 2.900 N/A LYS 509.A NZ LEU 540.A O no hydrogen 2.705 N/A ALA 510.A N GLU 506.A O no hydrogen 2.884 N/A GLU 511.A N TYR 507.A O no hydrogen 2.805 N/A GLY 512.A N LYS 509.A O no hydrogen 3.044 N/A TYR 513.A N LEU 508.A O no hydrogen 3.026 N/A TYR 513.A OH GLU 410.A OE2 no hydrogen 2.491 N/A THR 514.A N LEU 508.A O no hydrogen 3.381 N/A THR 514.A OG1 ASN 438.A O no hydrogen 2.883 N/A THR 514.A OG1 ARG 515.A O no hydrogen 3.414 N/A ARG 515.A N THR 514.A OG1 no hydrogen 2.703 N/A ARG 515.A NE ASP 517.A OD1 no hydrogen 2.635 N/A ARG 518.A N ARG 515.A O no hydrogen 2.833 N/A ARG 518.A NH1 SER 437.A O no hydrogen 2.748 N/A LEU 519.A N THR 516.A O no hydrogen 3.289 N/A ALA 520.A N THR 440.A O no hydrogen 2.820 N/A ILE 521.A N VAL 542.A O no hydrogen 2.969 N/A ARG 522.A N LEU 442.A O no hydrogen 2.825 N/A ARG 522.A NH1 LEU 544.A O no hydrogen 3.268 N/A GLY 523.A N LEU 544.A O no hydrogen 3.491 N/A SER 525.A N ALA 546.A O no hydrogen 2.803 N/A ASN 526.A ND2 TYR 567.A OH no hydrogen 2.770 N/A GLY 527.A N GLY 524.A O no hydrogen 2.785 N/A GLY 528.A N SER 525.A O no hydrogen 3.072 N/A LEU 529.A N SER 525.A O no hydrogen 3.076 N/A LEU 530.A N ASN 526.A O no hydrogen 3.046 N/A VAL 531.A N GLY 527.A O no hydrogen 3.144 N/A GLY 532.A N GLY 528.A O no hydrogen 2.875 N/A ALA 533.A N LEU 529.A O no hydrogen 2.732 N/A VAL 534.A N LEU 530.A O no hydrogen 2.955 N/A THR 535.A OG1 GLY 532.A O no hydrogen 2.785 N/A THR 535.A OG1 ALA 533.A O no hydrogen 2.930 N/A GLN 536.A N ALA 533.A O no hydrogen 2.984 N/A ARG 537.A N VAL 534.A O no hydrogen 2.809 N/A ARG 537.A NE ASP 539.A OD1 no hydrogen 3.019 N/A ARG 537.A NH1 GLU 506.A OE1 no hydrogen 3.490 N/A ARG 537.A NH2 GLU 506.A OE1 no hydrogen 3.003 N/A ARG 537.A NH2 ASP 539.A OD2 no hydrogen 3.422 N/A LEU 540.A N ARG 537.A O no hydrogen 2.969 N/A ARG 541.A N LEU 519.A O no hydrogen 2.863 N/A ARG 541.A NH1 ARG 541.A O no hydrogen 2.982 N/A ARG 541.A NH1 SER 596.A OG no hydrogen 2.770 N/A VAL 542.A N LEU 519.A O no hydrogen 3.273 N/A ALA 543.A N SER 596.A O no hydrogen 2.816 N/A LEU 544.A N ILE 521.A O no hydrogen 2.881 N/A ALA 546.A N GLY 523.A O no hydrogen 2.927 N/A VAL 547.A N THR 599.A O no hydrogen 2.896 N/A VAL 549.A N SER 525.A O no hydrogen 3.261 N/A LEU 550.A N HIS 611.A ND1 no hydrogen 3.125 N/A ASP 551.A N HIS 611.A ND1 no hydrogen 3.043 N/A ARG 553.A N ASP 551.A OD1 no hydrogen 3.097 N/A ARG 553.A NE GLU 28.A OE2 no hydrogen 2.910 N/A ARG 553.A NH2 GLU 28.A OE1 no hydrogen 2.965 N/A TYR 554.A OH GLY 568.A O no hydrogen 2.527 N/A THR 556.A N ARG 553.A O no hydrogen 2.975 N/A THR 556.A OG1 ARG 553.A O no hydrogen 2.934 N/A PHE 557.A N TYR 554.A O no hydrogen 3.216 N/A GLY 560.A N PHE 557.A O no hydrogen 2.896 N/A TRP 563.A N GLY 560.A O no hydrogen 3.164 N/A ALA 564.A N THR 561.A O no hydrogen 3.117 N/A TYR 567.A N TRP 563.A O no hydrogen 3.228 N/A GLY 568.A N ALA 564.A O no hydrogen 2.876 N/A THR 569.A N ASP 572.A OD2 no hydrogen 2.799 N/A THR 569.A OG1 ASP 572.A OD1 no hydrogen 2.646 N/A SER 570.A OG LEU 552.A O no hydrogen 2.733 N/A ALA 571.A N THR 569.A OG1 no hydrogen 3.150 N/A ASP 572.A N THR 569.A O no hydrogen 3.115 N/A ASP 577.A N GLU 574.A O no hydrogen 2.799 N/A TYR 578.A N ALA 575.A O no hydrogen 3.054 N/A LYS 580.A N PHE 576.A O no hydrogen 2.942 N/A GLY 581.A N ASP 577.A O no hydrogen 3.022 N/A TYR 582.A N LEU 579.A O no hydrogen 3.109 N/A SER 583.A N LEU 579.A O no hydrogen 2.787 N/A SER 583.A OG LEU 550.A O no hydrogen 3.441 N/A LEU 585.A N LEU 550.A O no hydrogen 3.072 N/A HIS 586.A NE2 ASP 551.A OD1 no hydrogen 3.152 N/A ASN 587.A N PRO 584.A O no hydrogen 3.122 N/A ASN 587.A ND2 LYS 580.A O no hydrogen 3.001 N/A ASN 587.A ND2 SER 583.A O no hydrogen 2.846 N/A ARG 589.A N TYR 594.A OH no hydrogen 2.750 N/A GLY 591.A N ASP 622.A O no hydrogen 3.051 N/A VAL 592.A N ARG 589.A O no hydrogen 3.219 N/A TYR 594.A N ASN 623.A OD1 no hydrogen 2.739 N/A SER 596.A N ARG 541.A O no hydrogen 3.016 N/A SER 596.A OG GLU 654.A OE1 no hydrogen 2.528 N/A THR 597.A N PRO 628.A O no hydrogen 2.994 N/A THR 597.A OG1 PRO 595.A O no hydrogen 3.075 N/A THR 597.A OG1 GLN 629.A OE1 no hydrogen 2.944 N/A THR 599.A N PRO 545.A O no hydrogen 3.176 N/A THR 600.A N ARG 632.A O no hydrogen 3.281 N/A THR 600.A OG1 ALA 601.A O no hydrogen 2.893 N/A ASP 602.A N GLU 634.A O no hydrogen 2.719 N/A HIS 603.A ND1 ASP 30.A OD2 no hydrogen 2.663 N/A ARG 606.A N ASP 604.A OD2 no hydrogen 2.661 N/A ARG 606.A NE ASP 604.A OD1 no hydrogen 3.154 N/A ARG 606.A NE ASP 604.A OD2 no hydrogen 3.049 N/A ARG 606.A NH2 ASP 604.A OD1 no hydrogen 2.602 N/A VAL 607.A N ASP 604.A OD2 no hydrogen 3.266 N/A HIS 611.A N VAL 608.A O no hydrogen 3.336 N/A PHE 613.A N PRO 609.A O no hydrogen 2.842 N/A LYS 614.A N ALA 610.A O no hydrogen 3.001 N/A LYS 614.A NZ ASP 22.A OD1 no hydrogen 3.028 N/A LYS 614.A NZ ASP 22.A OD2 no hydrogen 3.023 N/A LYS 614.A NZ GLU 28.A OE2 no hydrogen 2.772 N/A LYS 614.A NZ ASP 551.A OD2 no hydrogen 2.722 N/A PHE 615.A N HIS 611.A O no hydrogen 3.115 N/A ALA 616.A N SER 612.A O no hydrogen 2.913 N/A ALA 617.A N PHE 613.A O no hydrogen 2.986 N/A THR 618.A N LYS 614.A O no hydrogen 2.949 N/A THR 618.A OG1 LYS 614.A O no hydrogen 2.658 N/A LEU 619.A N PHE 615.A O no hydrogen 2.904 N/A GLN 620.A N ALA 616.A O no hydrogen 2.952 N/A GLN 620.A NE2 GLN 42.A OE1 no hydrogen 2.979 N/A GLN 620.A NE2 GLN 629.A O no hydrogen 2.903 N/A ALA 621.A N ALA 617.A O no hydrogen 3.025 N/A ASP 622.A N THR 618.A O no hydrogen 2.902 N/A ASN 623.A N LEU 619.A O no hydrogen 2.885 N/A ALA 624.A N VAL 592.A O no hydrogen 2.915 N/A GLN 629.A N TYR 3.A OH no hydrogen 2.783 N/A GLN 629.A NE2 PRO 595.A O no hydrogen 2.961 N/A GLN 629.A NE2 HIS 627.A O no hydrogen 3.085 N/A LEU 630.A N THR 597.A O no hydrogen 2.924 N/A ARG 632.A N VAL 598.A O no hydrogen 2.744 N/A ARG 632.A NE ASP 646.A OD2 no hydrogen 2.770 N/A ARG 632.A NH2 ASP 646.A OD2 no hydrogen 3.163 N/A GLU 634.A N THR 600.A O no hydrogen 2.787 N/A LEU 640.A N PRO 636.A O no hydrogen 3.054 N/A ILE 641.A N VAL 637.A O no hydrogen 2.747 N/A GLU 642.A N ALA 638.A O no hydrogen 3.023 N/A GLN 643.A N LYS 639.A O no hydrogen 2.934 N/A SER 644.A N LEU 640.A O no hydrogen 3.044 N/A SER 644.A OG SER 459.A OG no hydrogen 2.920 N/A ALA 645.A N ILE 641.A O no hydrogen 2.935 N/A ASP 646.A N GLU 642.A O no hydrogen 2.971 N/A ILE 647.A N GLN 643.A O no hydrogen 3.079 N/A TYR 648.A N SER 644.A O no hydrogen 3.001 N/A TYR 648.A OH SER 459.A O no hydrogen 3.201 N/A TYR 648.A OH SER 459.A OG no hydrogen 2.642 N/A ALA 649.A N ALA 645.A O no hydrogen 2.835 N/A PHE 650.A N ASP 646.A O no hydrogen 2.840 N/A THR 651.A N ILE 647.A O no hydrogen 2.900 N/A THR 651.A OG1 ILE 647.A O no hydrogen 2.728 N/A LEU 652.A N TYR 648.A O no hydrogen 2.988 N/A TYR 653.A N ALA 649.A O no hydrogen 2.910 N/A GLU 654.A N PHE 650.A O no hydrogen 2.875 N/A TYR 656.A N LEU 652.A O no hydrogen 3.171 N/A