Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jsd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NH1 ARG 4.A O no hydrogen 2.917 N/A ARG 4.A NH1 ASP 228.A OD2 no hydrogen 3.007 N/A ARG 4.A NH2 GLY 225.A O no hydrogen 3.357 N/A ARG 4.A NH2 ASP 228.A OD1 no hydrogen 2.836 N/A ARG 4.A NH2 ASP 228.A OD2 no hydrogen 3.207 N/A ASP 6.A N PRO 3.A O no hydrogen 2.965 N/A THR 7.A N ARG 4.A O no hydrogen 3.230 N/A THR 7.A OG1 PRO 3.A O no hydrogen 2.755 N/A VAL 8.A N TYR 206.A O no hydrogen 2.830 N/A TYR 9.A N ASP 228.A OD2 no hydrogen 2.881 N/A ILE 10.A N ALA 208.A O no hydrogen 2.831 N/A GLY 11.A N TRP 229.A O no hydrogen 3.219 N/A ALA 13.A N HIS 209.A NE2 no hydrogen 3.094 N/A LEU 14.A N HIS 209.A NE2 no hydrogen 2.978 N/A THR 19.A N THR 29.A OG1 no hydrogen 2.737 N/A THR 19.A OG1 THR 29.A OG1 no hydrogen 3.424 N/A THR 20.A OG1 ASN 22.A O no hydrogen 3.415 N/A THR 20.A OG1 GLN 27.A O no hydrogen 2.761 N/A TRP 21.A N ILE 162.A O no hydrogen 2.785 N/A TRP 21.A NE1 TYR 187.A OH no hydrogen 3.046 N/A ASN 22.A N THR 20.A OG1 no hydrogen 3.238 N/A ASN 22.A ND2 ILE 158.A O no hydrogen 3.000 N/A ASN 22.A ND2 TRP 161.A O no hydrogen 2.881 N/A TYR 24.A N ASN 22.A OD1 no hydrogen 3.131 N/A TYR 24.A OH ALA 90.A O no hydrogen 2.697 N/A ALA 25.A N ASN 22.A O no hydrogen 2.917 N/A GLN 27.A NE2 SER 409.A O no hydrogen 3.087 N/A THR 29.A N THR 20.A O no hydrogen 2.749 N/A THR 29.A OG1 THR 19.A OG1 no hydrogen 3.424 N/A THR 29.A OG1 THR 20.A O no hydrogen 2.833 N/A TRP 30.A NE1 PRO 534.A O no hydrogen 2.917 N/A GLY 31.A N GLN 34.A OE1 no hydrogen 2.762 N/A THR 32.A N THR 29.A O no hydrogen 3.086 N/A THR 32.A OG1 THR 29.A O no hydrogen 2.760 N/A GLN 34.A N GLN 34.A OE1 no hydrogen 2.988 N/A GLN 34.A NE2 TRP 535.A O no hydrogen 2.919 N/A PHE 35.A N GLY 31.A O no hydrogen 2.935 N/A MET 36.A N GLY 31.A O no hydrogen 3.356 N/A MET 36.A N THR 32.A O no hydrogen 3.128 N/A LEU 38.A N SER 172.A OG no hydrogen 2.995 N/A ALA 40.A N ALA 141.A O no hydrogen 2.974 N/A PHE 41.A N LEU 139.A O no hydrogen 2.829 N/A GLN 42.A N ILE 51.A O no hydrogen 2.918 N/A GLN 42.A NE2 TYR 43.A O no hydrogen 2.861 N/A GLN 42.A NE2 ASP 538.A OD1 no hydrogen 2.926 N/A TYR 43.A OH ASP 48.A OD1 no hydrogen 2.670 N/A ASP 44.A N ALA 49.A O no hydrogen 2.674 N/A ARG 47.A N ASP 44.A OD1 no hydrogen 3.246 N/A ARG 47.A NH1 ASP 44.A OD2 no hydrogen 2.848 N/A ARG 47.A NH1 ALA 528.A O no hydrogen 2.931 N/A ARG 47.A NH2 ALA 528.A O no hydrogen 2.787 N/A ASP 48.A N LEU 45.A O no hydrogen 3.249 N/A ALA 49.A N ASP 44.A O no hydrogen 3.107 N/A TRP 50.A N ILE 569.A O no hydrogen 2.633 N/A TRP 50.A NE1 THR 571.A OG1 no hydrogen 2.941 N/A ILE 51.A N GLN 42.A O no hydrogen 2.881 N/A VAL 53.A N ALA 40.A O no hydrogen 2.945 N/A ILE 54.A N PRO 39.A O no hydrogen 3.182 N/A ALA 55.A N ALA 40.A O no hydrogen 2.934 N/A GLU 56.A N TYR 69.A O no hydrogen 2.882 N/A ARG 57.A NH1 GLU 59.A OE1 no hydrogen 2.769 N/A TYR 58.A OH ASP 577.A OD2 no hydrogen 2.514 N/A GLU 59.A N ARG 67.A O no hydrogen 2.870 N/A VAL 61.A N THR 65.A O no hydrogen 2.856 N/A LYS 64.A N ASP 62.A OD1 no hydrogen 2.978 N/A LYS 64.A NZ GLU 126.A OE1.A no hydrogen 2.482 N/A THR 65.A N ASP 62.A O no hydrogen 3.306 N/A THR 65.A OG1 ASP 62.A OD1 no hydrogen 2.940 N/A LEU 66.A N PHE 122.A O no hydrogen 2.916 N/A ARG 67.A N GLU 59.A O no hydrogen 2.784 N/A ARG 67.A NE GLU 121.A OE1 no hydrogen 2.436 N/A ARG 67.A NH2 GLU 121.A OE1 no hydrogen 2.954 N/A ILE 68.A N VAL 120.A O.A no hydrogen 2.811 N/A ILE 68.A N VAL 120.A O.B no hydrogen 2.813 N/A TYR 69.A N ARG 57.A O no hydrogen 2.984 N/A ILE 70.A N LYS 118.A O no hydrogen 2.971 N/A ARG 71.A N ILE 54.A O no hydrogen 2.970 N/A ARG 71.A NE VAL 53.A O no hydrogen 2.823 N/A ARG 71.A NH2 PRO 52.A O no hydrogen 2.615 N/A GLU 73.A N GLU 73.A OE1 no hydrogen 2.824 N/A ALA 74.A N ARG 71.A O no hydrogen 3.056 N/A ARG 75.A NH1 GLY 79.A O no hydrogen 2.998 N/A TRP 76.A N VAL 80.A O no hydrogen 2.658 N/A TRP 76.A NE1 ASP 86.A OD2 no hydrogen 2.786 N/A SER 77.A N VAL 171.A O no hydrogen 2.985 N/A GLY 79.A N TRP 76.A O no hydrogen 2.920 N/A VAL 80.A N ASP 78.A OD1 no hydrogen 3.048 N/A ILE 82.A N ALA 74.A O no hydrogen 2.980 N/A THR 83.A N ASP 86.A OD2 no hydrogen 3.037 N/A ALA 84.A N THR 117.A O no hydrogen 2.847 N/A ASP 86.A N THR 83.A O no hydrogen 2.936 N/A PHE 87.A N ALA 84.A O no hydrogen 2.804 N/A VAL 88.A N ALA 84.A O no hydrogen 2.998 N/A TYR 89.A N ASP 85.A O no hydrogen 2.891 N/A TYR 89.A OH GLU 150.A OE1 no hydrogen 2.935 N/A ALA 90.A N ASP 86.A O no hydrogen 3.158 N/A LEU 91.A N PHE 87.A O no hydrogen 3.425 N/A GLU 92.A N VAL 88.A O no hydrogen 2.987 N/A LEU 93.A N TYR 89.A O no hydrogen 2.880 N/A THR 94.A N ALA 90.A O no hydrogen 3.174 N/A THR 94.A OG1 ALA 90.A O no hydrogen 3.332 N/A THR 94.A OG1 PRO 101.A O no hydrogen 2.801 N/A LYS 95.A N LEU 91.A O no hydrogen 3.036 N/A GLU 96.A N GLU 92.A O no hydrogen 3.073 N/A LEU 97.A N LEU 93.A O no hydrogen 2.935 N/A GLY 98.A N THR 94.A O no hydrogen 3.002 N/A TRP 105.A N GLY 102.A O no hydrogen 3.065 N/A THR 107.A N GLY 104.A O no hydrogen 3.036 N/A TYR 108.A N TRP 105.A O no hydrogen 3.082 N/A TYR 108.A OH ASP 473.A OD1 no hydrogen 2.692 N/A ILE 109.A N TRP 105.A O no hydrogen 2.722 N/A GLU 110.A N LYS 123.A O no hydrogen 2.570 N/A TYR 111.A OH GLU 121.A OE2 no hydrogen 2.581 N/A LYS 113.A N GLU 121.A O no hydrogen 2.921 N/A VAL 115.A N VAL 119.A O no hydrogen 2.938 N/A ASP 116.A N VAL 119.A O no hydrogen 3.317 N/A LYS 118.A NZ ARG 71.A O no hydrogen 3.346 N/A LYS 118.A NZ ILE 82.A O no hydrogen 2.611 N/A VAL 119.A N ASP 116.A O no hydrogen 3.208 N/A VAL 120.A N.A ILE 68.A O no hydrogen 3.018 N/A VAL 120.A N.B ILE 68.A O no hydrogen 2.997 N/A GLU 121.A N LYS 113.A O no hydrogen 2.805 N/A PHE 122.A N LEU 66.A O no hydrogen 2.879 N/A LYS 123.A N TYR 111.A O no hydrogen 3.137 N/A LYS 123.A NZ GLU 126.A OE2.B no hydrogen 2.767 N/A ALA 124.A N LYS 64.A O no hydrogen 2.742 N/A LYS 125.A N TYR 108.A O no hydrogen 3.029 N/A LYS 125.A NZ ASP 106.A O no hydrogen 2.836 N/A ASN 128.A ND2 THR 107.A O no hydrogen 2.848 N/A ASN 128.A ND2 ASP 473.A OD1 no hydrogen 3.190 N/A LEU 129.A N GLU 126.A O.A no hydrogen 3.142 N/A ASN 130.A ND2 LEU 472.A O no hydrogen 3.229 N/A TYR 131.A N VAL 476.A O no hydrogen 3.008 N/A TYR 131.A OH ASP 63.A OD2 no hydrogen 2.621 N/A GLN 133.A N ASN 130.A OD1 no hydrogen 2.995 N/A PHE 134.A N ASN 130.A O no hydrogen 3.029 N/A LEU 135.A N TYR 131.A O no hydrogen 2.918 N/A SER 136.A N PHE 132.A O no hydrogen 2.828 N/A SER 136.A OG PHE 132.A O no hydrogen 3.214 N/A TYR 137.A N GLN 133.A O no hydrogen 2.988 N/A TYR 137.A OH GLY 103.A O no hydrogen 2.663 N/A SER 138.A N.A PHE 134.A O no hydrogen 3.320 N/A SER 138.A N.B PHE 134.A O no hydrogen 3.321 N/A SER 138.A OG.A PHE 134.A O no hydrogen 2.643 N/A SER 138.A OG.A LEU 135.A O no hydrogen 3.004 N/A SER 138.A OG.B PHE 134.A O no hydrogen 2.749 N/A LEU 139.A N LEU 135.A O no hydrogen 2.975 N/A GLY 140.A N SER 136.A O no hydrogen 3.213 N/A ALA 141.A N SER 138.A O.A no hydrogen 3.141 N/A ALA 141.A N SER 138.A O.B no hydrogen 3.240 N/A GLN 142.A NE2 ASP 33.A OD1 no hydrogen 3.019 N/A MET 144.A N ASP 86.A O no hydrogen 3.294 N/A LYS 146.A N ASP 86.A OD1 no hydrogen 2.962 N/A HIS 147.A NE2 ASP 78.A OD2 no hydrogen 2.713 N/A VAL 148.A N PRO 145.A O no hydrogen 2.948 N/A TYR 149.A N PRO 145.A O no hydrogen 3.047 N/A TYR 149.A OH ASN 22.A OD1 no hydrogen 3.343 N/A GLU 150.A N LYS 146.A O no hydrogen 2.990 N/A ARG 151.A N VAL 148.A O no hydrogen 3.154 N/A ILE 152.A N VAL 148.A O no hydrogen 3.276 N/A ARG 153.A N TYR 149.A O no hydrogen 3.012 N/A ARG 153.A NH2 GLU 96.A OE1 no hydrogen 3.222 N/A ALA 154.A N GLU 150.A O no hydrogen 3.178 N/A GLN 155.A N ILE 152.A O no hydrogen 2.906 N/A MET 156.A N ILE 152.A O no hydrogen 2.847 N/A LYS 159.A N ASN 157.A OD1 no hydrogen 3.286 N/A LYS 159.A NZ LEU 97.A O no hydrogen 3.065 N/A ASP 160.A N ASN 157.A O no hydrogen 2.992 N/A TRP 161.A N ILE 158.A O no hydrogen 2.929 N/A ASN 163.A ND2 TRP 21.A O no hydrogen 2.832 N/A GLU 168.A N LYS 165.A O no hydrogen 2.947 N/A GLN 169.A N LYS 165.A O no hydrogen 2.921 N/A GLN 169.A N PRO 166.A O no hydrogen 3.135 N/A GLN 169.A NE2 ASN 163.A O no hydrogen 2.741 N/A VAL 171.A N SER 77.A OG no hydrogen 2.803 N/A SER 172.A N MET 36.A O no hydrogen 2.984 N/A SER 172.A OG MET 36.A O no hydrogen 3.444 N/A GLY 173.A N MET 36.A O no hydrogen 2.959 N/A TYR 175.A OH PRO 204.A O no hydrogen 2.554 N/A LYS 176.A N GLN 188.A O no hydrogen 3.073 N/A LYS 176.A NZ PRO 166.A O no hydrogen 3.209 N/A LYS 176.A NZ GLN 169.A O no hydrogen 3.087 N/A LEU 177.A N GLN 169.A OE1 no hydrogen 2.999 N/A TYR 178.A N VAL 186.A O no hydrogen 2.718 N/A TYR 179.A N VAL 186.A O no hydrogen 3.233 N/A TYR 179.A OH ASP 181.A OD2 no hydrogen 2.539 N/A TYR 180.A OH ASP 164.A OD2 no hydrogen 2.809 N/A ASP 181.A N ILE 184.A O no hydrogen 3.196 N/A ASN 183.A N ASP 181.A OD1 no hydrogen 2.688 N/A ILE 184.A N ASP 181.A O no hydrogen 3.411 N/A VAL 185.A N HIS 209.A O no hydrogen 2.929 N/A VAL 186.A N TYR 179.A O no hydrogen 2.870 N/A TYR 187.A N LEU 207.A O no hydrogen 2.770 N/A TYR 187.A OH TRP 30.A O no hydrogen 2.524 N/A GLN 188.A N LYS 176.A O no hydrogen 2.854 N/A ARG 189.A N LYS 205.A O no hydrogen 2.720 N/A ARG 189.A NE ASP 191.A OD1 no hydrogen 2.743 N/A ARG 189.A NH1 PRO 202.A O no hydrogen 2.869 N/A ARG 189.A NH2 ASP 191.A OD1 no hydrogen 3.218 N/A VAL 190.A N PRO 174.A O no hydrogen 2.751 N/A TRP 193.A N VAL 190.A O no hydrogen 2.896 N/A TRP 193.A NE1 SER 172.A O no hydrogen 3.032 N/A TRP 194.A NE1 SER 172.A O no hydrogen 2.804 N/A LYS 196.A N TRP 193.A O no hydrogen 2.980 N/A PHE 199.A N GLY 195.A O no hydrogen 2.834 N/A GLY 200.A N LYS 196.A O no hydrogen 2.840 N/A ARG 203.A N LEU 543.A O no hydrogen 3.337 N/A ARG 203.A NH1 ILE 546.A O no hydrogen 2.604 N/A ARG 203.A NH1 SER 547.A OG no hydrogen 3.237 N/A ARG 203.A NH2 PRO 554.A O no hydrogen 3.127 N/A LYS 205.A N ASP 6.A O no hydrogen 2.875 N/A TYR 206.A N ASP 6.A O no hydrogen 3.155 N/A TYR 206.A OH GLN 188.A OE1 no hydrogen 2.822 N/A LEU 207.A N TYR 187.A O no hydrogen 2.954 N/A ALA 208.A N VAL 8.A O no hydrogen 2.986 N/A HIS 209.A N VAL 185.A O no hydrogen 2.766 N/A HIS 209.A ND1 VAL 210.A O no hydrogen 2.934 N/A ILE 211.A N ASN 183.A O no hydrogen 2.874 N/A ASN 215.A N GLY 379.A O no hydrogen 3.044 N/A ASN 215.A ND2 THR 381.A OG1 no hydrogen 3.043 N/A SER 217.A N ASP 214.A OD1 no hydrogen 2.961 N/A SER 217.A OG ASP 214.A O no hydrogen 3.261 N/A SER 217.A OG ASP 214.A OD1 no hydrogen 3.134 N/A ALA 218.A N ASP 214.A O no hydrogen 3.240 N/A SER 219.A N ASN 215.A O no hydrogen 2.896 N/A LEU 220.A N PRO 216.A O no hydrogen 2.998 N/A ALA 221.A N SER 217.A O no hydrogen 3.162 N/A PHE 222.A N ALA 218.A O no hydrogen 2.894 N/A GLU 223.A N SER 219.A O no hydrogen 2.822 N/A ARG 224.A N.A LEU 220.A O no hydrogen 3.087 N/A ARG 224.A N.B LEU 220.A O no hydrogen 3.120 N/A ARG 224.A NE.A ASP 226.A OD2 no hydrogen 2.887 N/A GLY 225.A N PHE 222.A O no hydrogen 3.435 N/A ASP 226.A N ALA 221.A O no hydrogen 2.957 N/A ASP 228.A N TYR 9.A O no hydrogen 2.790 N/A TRP 229.A N TYR 9.A O no hydrogen 3.000 N/A TRP 229.A NE1 PRO 532.A O no hydrogen 2.644 N/A ASN 230.A N GLU 512.A O no hydrogen 2.830 N/A GLY 231.A N GLY 11.A O no hydrogen 2.809 N/A LEU 232.A N GLU 512.A OE1 no hydrogen 3.318 N/A VAL 237.A N TYR 301.A OH no hydrogen 2.981 N/A GLU 239.A N SER 236.A O no hydrogen 2.976 N/A LEU 240.A N VAL 237.A O no hydrogen 2.988 N/A GLU 242.A N TRP 238.A O no hydrogen 2.856 N/A LYS 243.A N GLU 239.A O no hydrogen 2.902 N/A LYS 244.A N GLU 239.A O no hydrogen 2.987 N/A LYS 244.A NZ GLU 223.A OE1 no hydrogen 3.306 N/A LYS 244.A NZ GLU 223.A OE2 no hydrogen 2.868 N/A LEU 246.A N LEU 240.A O no hydrogen 2.912 N/A VAL 248.A N LEU 246.A O no hydrogen 2.790 N/A GLY 249.A N TYR 513.A O no hydrogen 2.889 N/A THR 250.A OG1 TYR 252.A O no hydrogen 2.576 N/A TYR 252.A N TYR 257.A O no hydrogen 3.298 N/A LYS 253.A N GLU 524.A OE2 no hydrogen 3.366 N/A LYS 253.A NZ ASP 525.A OD2 no hydrogen 2.944 N/A GLU 255.A N.A GLU 255.A OE2.A no hydrogen 2.645 N/A TYR 257.A N LYS 254.A O no hydrogen 3.072 N/A ASP 261.A N THR 507.A O no hydrogen 2.777 N/A VAL 263.A N VAL 428.A O no hydrogen 3.253 N/A GLY 264.A N PHE 505.A O no hydrogen 2.750 N/A PHE 265.A N SER 425.A O no hydrogen 2.899 N/A VAL 266.A N ILE 502.A O no hydrogen 2.890 N/A TYR 267.A N ILE 423.A O no hydrogen 2.838 N/A TYR 267.A OH TRP 426.A O no hydrogen 2.606 N/A VAL 268.A N SER 501.A OG no hydrogen 2.836 N/A ASN 269.A N ASP 421.A O no hydrogen 3.002 N/A ASN 269.A ND2 GLY 418.A O no hydrogen 2.684 N/A ASN 269.A ND2 PHE 420.A O no hydrogen 2.865 N/A ASN 270.A N GLU 461.A O no hydrogen 2.871 N/A ASN 270.A ND2 VAL 268.A O no hydrogen 2.728 N/A ASN 270.A ND2 PRO 500.A O no hydrogen 3.059 N/A THR 271.A N ASN 269.A OD1 no hydrogen 2.840 N/A THR 271.A OG1 ASN 269.A OD1 no hydrogen 2.632 N/A LYS 272.A NZ THR 419.A O no hydrogen 2.900 N/A LYS 272.A NZ ASP 421.A OD1 no hydrogen 3.046 N/A SER 276.A OG LYS 272.A O no hydrogen 2.974 N/A ASP 277.A N GLY 274.A O no hydrogen 3.024 N/A ALA 279.A N ASP 277.A OD1 no hydrogen 3.055 N/A VAL 280.A N ASP 277.A O no hydrogen 2.828 N/A ARG 281.A N ASP 277.A O no hydrogen 3.120 N/A ARG 281.A NE ASP 498.A O no hydrogen 3.173 N/A ARG 281.A NE MET 499.A O no hydrogen 2.921 N/A ARG 281.A NH1 LEU 275.A O no hydrogen 2.929 N/A ARG 281.A NH2 ASP 498.A O no hydrogen 2.763 N/A LYS 282.A N PRO 278.A O no hydrogen 2.788 N/A LYS 282.A NZ ARG 497.A O no hydrogen 3.304 N/A ALA 283.A N ALA 279.A O no hydrogen 3.013 N/A ILE 284.A N VAL 280.A O no hydrogen 3.000 N/A ALA 285.A N ARG 281.A O no hydrogen 3.142 N/A TYR 286.A N LYS 282.A O no hydrogen 3.328 N/A ALA 287.A N ILE 284.A O no hydrogen 2.945 N/A TYR 290.A N ILE 288.A O no hydrogen 2.710 N/A TYR 290.A OH ALA 285.A O no hydrogen 2.635 N/A MET 293.A N PRO 289.A O no hydrogen 3.035 N/A LEU 294.A N TYR 290.A O no hydrogen 3.007 N/A LYS 295.A N ASN 291.A O no hydrogen 2.939 N/A LYS 296.A N GLU 292.A O no hydrogen 2.820 N/A ALA 297.A N MET 293.A O no hydrogen 2.862 N/A TYR 298.A N MET 293.A O no hydrogen 3.130 N/A GLY 300.A N LEU 294.A O no hydrogen 2.955 N/A TYR 301.A N TYR 298.A O no hydrogen 2.910 N/A TYR 301.A OH ILE 234.A O no hydrogen 2.665 N/A GLN 304.A NE2 ILE 337.A O no hydrogen 2.715 N/A ALA 305.A N ALA 504.A O no hydrogen 3.019 N/A HIS 306.A N TYR 506.A OH no hydrogen 3.084 N/A HIS 306.A ND1 SER 308.A OG no hydrogen 2.895 N/A HIS 306.A NE2 ASP 334.A O no hydrogen 2.856 N/A SER 308.A N HIS 306.A ND1 no hydrogen 3.279 N/A SER 308.A OG HIS 306.A ND1 no hydrogen 2.895 N/A MET 309.A N HIS 306.A O no hydrogen 3.110 N/A VAL 310.A N SER 308.A OG no hydrogen 3.221 N/A ILE 311.A N HIS 434.A NE2 no hydrogen 2.996 N/A ASP 312.A N TYR 506.A OH no hydrogen 3.210 N/A PHE 314.A N ILE 311.A O no hydrogen 3.515 N/A TYR 317.A N PHE 314.A O no hydrogen 3.098 N/A TYR 317.A OH SER 431.A O no hydrogen 3.164 N/A LYS 318.A N GLU 315.A O no hydrogen 3.017 N/A LYS 318.A NZ GLU 315.A OE1 no hydrogen 2.858 N/A GLN 319.A NE2 PRO 316.A O no hydrogen 3.254 N/A TYR 320.A N TYR 317.A O no hydrogen 3.021 N/A ILE 321.A N LYS 318.A O no hydrogen 3.099 N/A ASP 322.A N GLN 492.A OE1 no hydrogen 2.910 N/A LEU 325.A N ASP 322.A OD1 no hydrogen 3.047 N/A ALA 326.A N ASP 322.A O no hydrogen 3.211 N/A LYS 327.A N TYR 323.A O no hydrogen 2.802 N/A LYS 327.A NZ GLU 324.A OE2 no hydrogen 3.518 N/A LYS 328.A N GLU 324.A O no hydrogen 3.149 N/A THR 329.A N LEU 325.A O no hydrogen 2.933 N/A THR 329.A N ALA 326.A O no hydrogen 3.200 N/A THR 329.A OG1 LEU 325.A O no hydrogen 2.563 N/A PHE 330.A N ALA 326.A O no hydrogen 2.985 N/A GLY 331.A N LYS 327.A O no hydrogen 2.693 N/A THR 332.A OG1 ARG 336.A O no hydrogen 2.571 N/A GLY 335.A N THR 332.A O no hydrogen 3.311 N/A ARG 336.A N ASP 334.A OD1 no hydrogen 3.162 N/A ARG 336.A NE GLN 304.A O no hydrogen 2.955 N/A ARG 336.A NH1 ASP 312.A OD2 no hydrogen 2.767 N/A ARG 336.A NH1 ASP 334.A OD2 no hydrogen 2.935 N/A ARG 336.A NH2 GLN 304.A O no hydrogen 2.892 N/A ARG 336.A NH2 ASP 312.A OD1 no hydrogen 2.766 N/A ARG 336.A NH2 ASP 312.A OD2 no hydrogen 3.208 N/A ASP 340.A N TYR 286.A O no hydrogen 2.765 N/A MET 343.A N ASP 340.A OD1 no hydrogen 3.178 N/A ALA 344.A N ASP 340.A O no hydrogen 3.018 N/A ASN 345.A N LEU 341.A O no hydrogen 2.820 N/A LYS 346.A N ASP 342.A O no hydrogen 2.778 N/A LYS 346.A NZ GLU 350.A OE2 no hydrogen 3.259 N/A ILE 347.A N MET 343.A O no hydrogen 2.783 N/A LEU 348.A N ALA 344.A O no hydrogen 3.210 N/A ASP 349.A N ASN 345.A O no hydrogen 2.839 N/A GLU 350.A N LYS 346.A O no hydrogen 2.874 N/A ALA 351.A N ILE 347.A O no hydrogen 3.190 N/A GLY 352.A N ASP 349.A O no hydrogen 2.768 N/A TYR 353.A N LEU 348.A O no hydrogen 3.002 N/A TYR 353.A OH ASP 277.A OD2 no hydrogen 2.238 N/A LYS 354.A N VAL 362.A O no hydrogen 2.827 N/A LYS 355.A NZ SER 396.A O no hydrogen 3.016 N/A GLY 356.A N VAL 360.A O no hydrogen 2.949 N/A GLY 359.A N GLY 356.A O no hydrogen 2.940 N/A VAL 360.A N ASP 358.A OD1 no hydrogen 3.103 N/A ARG 361.A N GLY 398.A O no hydrogen 2.695 N/A ARG 361.A NE ILE 397.A O no hydrogen 2.934 N/A ARG 361.A NH1 ASP 349.A OD1 no hydrogen 2.412 N/A ARG 361.A NH1 TYR 353.A O no hydrogen 2.970 N/A ARG 361.A NH2 ASN 345.A OD1 no hydrogen 2.921 N/A VAL 362.A N LYS 354.A O no hydrogen 2.750 N/A GLY 363.A N THR 367.A O no hydrogen 2.690 N/A GLY 366.A N GLY 363.A O no hydrogen 2.960 N/A THR 367.A N ASP 365.A OD1 no hydrogen 2.973 N/A THR 367.A OG1 ASP 365.A OD1 no hydrogen 2.855 N/A THR 367.A OG1 ASP 365.A OD2 no hydrogen 2.806 N/A LYS 368.A NZ ASP 358.A OD2 no hydrogen 2.656 N/A LEU 369.A N ARG 361.A O no hydrogen 2.789 N/A TYR 372.A N ASP 400.A O no hydrogen 2.920 N/A TYR 372.A OH PRO 273.A O no hydrogen 2.677 N/A THR 373.A N ASP 421.A OD2 no hydrogen 2.983 N/A ILE 374.A N LYS 402.A O.A no hydrogen 2.965 N/A ILE 374.A N LYS 402.A O.B no hydrogen 3.071 N/A SER 375.A N LEU 422.A O no hydrogen 2.911 N/A SER 375.A OG GLU 404.A O no hydrogen 2.874 N/A TYR 378.A N PRO 406.A O no hydrogen 2.924 N/A TRP 380.A N PRO 377.A O no hydrogen 3.226 N/A MET 384.A N TRP 380.A O no hydrogen 2.909 N/A MET 385.A N THR 381.A O no hydrogen 3.121 N/A MET 386.A N ASP 382.A O no hydrogen 3.048 N/A CYS 387.A N TRP 383.A O no hydrogen 2.776 N/A CYS 387.A SG TRP 383.A O no hydrogen 3.275 N/A GLU 388.A N MET 384.A O no hydrogen 2.909 N/A MET 389.A N MET 385.A O no hydrogen 2.985 N/A ILE 390.A N MET 386.A O no hydrogen 2.926 N/A ALA 391.A N CYS 387.A O no hydrogen 2.789 N/A LYS 392.A N GLU 388.A O no hydrogen 3.032 N/A LYS 392.A NZ ASN 393.A OD1 no hydrogen 2.973 N/A ASN 393.A N MET 389.A O no hydrogen 3.473 N/A ASN 393.A ND2 ALA 287.A O no hydrogen 3.592 N/A LEU 394.A N ILE 390.A O no hydrogen 3.026 N/A ARG 395.A N ALA 391.A O no hydrogen 2.965 N/A ARG 395.A NH1 VAL 401.A O no hydrogen 2.798 N/A SER 396.A N LYS 392.A O no hydrogen 3.082 N/A SER 396.A OG ASN 393.A O no hydrogen 2.780 N/A ILE 397.A N ASN 393.A O no hydrogen 3.264 N/A ILE 397.A N LEU 394.A O no hydrogen 3.043 N/A GLY 398.A N ARG 395.A O no hydrogen 2.791 N/A ILE 399.A N LEU 394.A O no hydrogen 2.948 N/A ASP 400.A N LEU 369.A O no hydrogen 2.938 N/A LYS 402.A N.A TYR 372.A O no hydrogen 3.094 N/A LYS 402.A N.B TYR 372.A O no hydrogen 3.106 N/A THR 403.A OG1 GLU 388.A OE2 no hydrogen 2.884 N/A GLU 404.A N ILE 374.A O no hydrogen 3.060 N/A SER 409.A N ASP 407.A OD2 no hydrogen 2.844 N/A SER 409.A OG ASP 407.A OD2 no hydrogen 2.674 N/A TRP 411.A N ASP 407.A O no hydrogen 2.899 N/A TRP 411.A NE1 SER 375.A O no hydrogen 3.106 N/A ALA 412.A N PHE 408.A O no hydrogen 2.716 N/A ASP 413.A N SER 409.A O no hydrogen 2.939 N/A ARG 414.A N VAL 410.A O no hydrogen 3.025 N/A ARG 414.A NH1 GLU 404.A OE2 no hydrogen 2.704 N/A MET 415.A N TRP 411.A O no hydrogen 2.890 N/A THR 416.A N ALA 412.A O no hydrogen 2.864 N/A THR 416.A OG1 ALA 412.A O no hydrogen 2.735 N/A THR 416.A OG1 ASP 413.A O no hydrogen 3.170 N/A LYS 417.A N ASP 413.A O no hydrogen 3.013 N/A LYS 417.A NZ ASP 413.A OD1 no hydrogen 2.845 N/A GLY 418.A N MET 415.A O no hydrogen 3.076 N/A THR 419.A N ARG 414.A O no hydrogen 3.019 N/A THR 419.A OG1 ARG 414.A O no hydrogen 3.488 N/A LEU 422.A N THR 373.A O no hydrogen 3.000 N/A ILE 423.A N TYR 267.A O no hydrogen 3.138 N/A SER 425.A N PHE 265.A O no hydrogen 3.172 N/A TRP 426.A N SER 425.A OG no hydrogen 2.692 N/A SER 427.A OG VAL 263.A O no hydrogen 2.672 N/A SER 431.A OG ASP 433.A OD1 no hydrogen 2.975 N/A HIS 434.A N SER 431.A O no hydrogen 3.146 N/A HIS 434.A ND1 ASN 437.A OD1 no hydrogen 2.899 N/A ASN 437.A N ASP 433.A O no hydrogen 3.422 N/A ASN 437.A ND2 GLY 429.A O no hydrogen 2.805 N/A TYR 439.A N PRO 435.A O no hydrogen 3.200 N/A TYR 439.A OH SER 308.A O no hydrogen 2.610 N/A ARG 440.A N PHE 436.A O no hydrogen 2.907 N/A ARG 440.A NE GLN 133.A OE1 no hydrogen 2.722 N/A ARG 440.A NH1 ASP 444.A OD2 no hydrogen 2.644 N/A ARG 440.A NH2 GLN 133.A OE1 no hydrogen 3.377 N/A ARG 440.A NH2 TYR 137.A OH no hydrogen 3.256 N/A PHE 441.A N ASN 437.A O no hydrogen 2.871 N/A VAL 442.A N ILE 438.A O no hydrogen 2.868 N/A LEU 443.A N TYR 439.A O no hydrogen 2.991 N/A LYS 445.A NZ ASP 464.A OD1 no hydrogen 3.138 N/A LYS 445.A NZ ASP 466.A OD1 no hydrogen 2.536 N/A ARG 446.A N ASP 444.A OD1 no hydrogen 2.966 N/A ARG 446.A NE ASP 444.A OD1 no hydrogen 2.899 N/A ARG 446.A NE ASP 444.A OD2 no hydrogen 3.199 N/A ARG 446.A NH1 ASP 473.A OD1 no hydrogen 2.899 N/A ARG 446.A NH2 TYR 108.A OH no hydrogen 3.022 N/A ARG 446.A NH2 ASP 444.A OD2 no hydrogen 2.733 N/A LEU 447.A N ASP 444.A O no hydrogen 3.056 N/A SER 448.A N LYS 445.A O no hydrogen 2.986 N/A SER 448.A OG ASP 459.A O no hydrogen 2.775 N/A LYS 449.A NZ SER 448.A O no hydrogen 3.344 N/A GLY 452.A N LYS 417.A O no hydrogen 2.766 N/A GLU 453.A N PRO 450.A O no hydrogen 3.134 N/A THR 455.A N THR 416.A O no hydrogen 3.083 N/A TRP 456.A NE1 PRO 26.A O no hydrogen 2.805 N/A ASP 459.A N PHE 441.A O no hydrogen 2.684 N/A TRP 460.A NE1 THR 455.A O no hydrogen 2.839 N/A GLU 461.A N GLU 461.A OE1 no hydrogen 2.753 N/A ARG 462.A N ASP 459.A O no hydrogen 2.984 N/A ARG 462.A NE LYS 449.A O no hydrogen 2.713 N/A ARG 462.A NH1 THR 416.A O no hydrogen 3.058 N/A ARG 462.A NH1 TRP 460.A O no hydrogen 3.136 N/A ARG 462.A NH2 THR 416.A O no hydrogen 2.862 N/A ARG 462.A NH2 LYS 449.A O no hydrogen 3.207 N/A ARG 462.A NH2 PRO 450.A O no hydrogen 3.324 N/A TYR 463.A N ASP 459.A OD1 no hydrogen 2.752 N/A TYR 463.A OH ASP 498.A OD2 no hydrogen 2.737 N/A VAL 468.A N ASN 465.A OD1 no hydrogen 2.780 N/A GLU 470.A N ASP 466.A O no hydrogen 3.046 N/A LEU 471.A N GLU 467.A O no hydrogen 2.871 N/A LEU 472.A N VAL 468.A O no hydrogen 2.822 N/A ASP 473.A N VAL 469.A O no hydrogen 2.881 N/A LYS 474.A N LEU 471.A O no hydrogen 3.210 N/A SER 477.A N LYS 474.A O no hydrogen 3.173 N/A SER 477.A OG LEU 129.A O no hydrogen 2.973 N/A SER 477.A OG LYS 474.A O no hydrogen 3.354 N/A GLU 482.A N ASP 480.A OD1 no hydrogen 2.936 N/A VAL 483.A N ASP 480.A O no hydrogen 2.862 N/A ARG 484.A NH2 LEU 479.A O no hydrogen 3.547 N/A LYS 485.A N PRO 481.A O no hydrogen 3.056 N/A LYS 485.A NZ GLU 482.A OE1 no hydrogen 2.701 N/A GLN 486.A N GLU 482.A O no hydrogen 3.118 N/A ALA 487.A N VAL 483.A O no hydrogen 3.279 N/A TYR 488.A N ARG 484.A O no hydrogen 2.794 N/A PHE 489.A N LYS 485.A O no hydrogen 2.820 N/A ARG 490.A N GLN 486.A O no hydrogen 3.048 N/A ARG 490.A NE GLU 467.A OE2 no hydrogen 2.899 N/A ARG 490.A NH1 GLN 493.A OE1 no hydrogen 3.218 N/A ARG 490.A NH2 GLU 467.A OE1 no hydrogen 2.985 N/A ARG 490.A NH2 GLU 467.A OE2 no hydrogen 3.164 N/A ILE 491.A N ALA 487.A O no hydrogen 2.956 N/A GLN 492.A N TYR 488.A O no hydrogen 2.872 N/A GLN 492.A NE2 TYR 320.A O no hydrogen 2.825 N/A GLN 492.A NE2 TYR 439.A OH no hydrogen 3.086 N/A GLN 493.A N PHE 489.A O no hydrogen 3.159 N/A GLN 493.A NE2 PHE 489.A O no hydrogen 3.580 N/A ILE 494.A N ARG 490.A O no hydrogen 3.110 N/A ILE 495.A N ILE 491.A O no hydrogen 2.841 N/A TYR 496.A N GLN 492.A O no hydrogen 3.004 N/A ARG 497.A N GLN 493.A O no hydrogen 2.990 N/A ARG 497.A NE ASP 498.A OD1 no hydrogen 2.772 N/A ARG 497.A NH2 ASP 498.A OD1 no hydrogen 3.442 N/A ARG 497.A NH2 ASP 498.A OD2 no hydrogen 2.729 N/A ASP 498.A N ILE 494.A O no hydrogen 2.789 N/A MET 499.A N ILE 495.A O no hydrogen 2.733 N/A SER 501.A OG PRO 500.A O no hydrogen 2.746 N/A ILE 502.A N VAL 266.A O no hydrogen 3.103 N/A ALA 504.A N GLY 264.A O no hydrogen 2.967 N/A PHE 505.A N GLY 264.A O no hydrogen 3.235 N/A TYR 506.A N SER 303.A O no hydrogen 2.873 N/A TYR 506.A OH VAL 310.A O no hydrogen 3.014 N/A TYR 506.A OH ASP 312.A OD1 no hydrogen 2.991 N/A THR 507.A N GLY 262.A O no hydrogen 2.849 N/A ALA 508.A N TYR 298.A OH no hydrogen 2.928 N/A HIS 509.A N ILE 259.A O no hydrogen 2.768 N/A HIS 509.A ND1 ASP 261.A OD1 no hydrogen 2.735 N/A TYR 511.A OH PRO 522.A O no hydrogen 2.498 N/A GLU 512.A N ASN 230.A O no hydrogen 2.916 N/A TYR 513.A N GLY 249.A O no hydrogen 2.917 N/A SER 514.A N ASP 228.A O no hydrogen 2.941 N/A THR 515.A N PRO 247.A O no hydrogen 2.998 N/A THR 515.A OG1 PRO 247.A O no hydrogen 3.447 N/A LYS 516.A N SER 514.A OG no hydrogen 3.305 N/A TRP 518.A NE1 THR 7.A O no hydrogen 2.935 N/A ILE 519.A N SER 547.A O no hydrogen 2.799 N/A TRP 521.A NE1 TRP 518.A O no hydrogen 2.942 N/A SER 523.A N ASN 526.A O no hydrogen 3.121 N/A GLU 524.A N TRP 251.A O no hydrogen 3.030 N/A ASN 526.A N SER 523.A OG no hydrogen 3.107 N/A ASN 526.A ND2 TRP 521.A O no hydrogen 2.948 N/A ALA 528.A N ASN 526.A O no hydrogen 2.759 N/A TRP 529.A NE1 ASP 538.A O no hydrogen 2.744 N/A ARG 531.A NE PHE 530.A O no hydrogen 2.726 N/A ARG 531.A NH1 PRO 260.A O no hydrogen 3.023 N/A ARG 531.A NH2 PRO 260.A O no hydrogen 2.899 N/A ARG 531.A NH2 PHE 530.A O no hydrogen 3.258 N/A SER 533.A N HIS 509.A NE2 no hydrogen 3.122 N/A SER 533.A OG TRP 510.A O no hydrogen 2.691 N/A TRP 535.A NE1 GLY 231.A O no hydrogen 2.984 N/A HIS 536.A N SER 533.A O no hydrogen 2.926 N/A ASP 538.A N HIS 536.A ND1 no hydrogen 3.071 N/A ALA 539.A N HIS 536.A O no hydrogen 3.232 N/A TRP 540.A NE1 GLN 42.A OE1 no hydrogen 2.873 N/A THR 542.A N ALA 539.A O no hydrogen 3.029 N/A THR 542.A OG1 ALA 539.A O no hydrogen 2.734 N/A LEU 543.A N TRP 540.A O no hydrogen 2.974 N/A PHE 544.A N PRO 541.A O no hydrogen 2.864 N/A ILE 545.A N THR 542.A O no hydrogen 3.231 N/A ILE 546.A N THR 542.A O no hydrogen 3.336 N/A SER 547.A N ILE 519.A O no hydrogen 2.903 N/A SER 547.A OG ASN 520.A OD1 no hydrogen 3.009 N/A SER 547.A OG GLN 553.A O no hydrogen 3.060 N/A LYS 548.A NZ GLU 5.A OE2 no hydrogen 3.031 N/A LYS 548.A NZ ASP 6.A OD1 no hydrogen 2.796 N/A LYS 549.A N TYR 517.A O no hydrogen 2.922 N/A LYS 549.A NZ THR 515.A O no hydrogen 2.670 N/A LYS 549.A NZ LYS 516.A O no hydrogen 3.313 N/A ASP 551.A N LYS 548.A O no hydrogen 3.124 N/A GLN 553.A N SER 547.A OG no hydrogen 3.085 N/A GLN 553.A NE2 ASP 551.A O no hydrogen 3.537 N/A GLN 553.A NE2 ASP 551.A OD1 no hydrogen 2.790 N/A TRP 558.A NE1 PHE 199.A O no hydrogen 2.990 N/A GLY 560.A N GLU 568.A OE2 no hydrogen 2.860 N/A THR 561.A N GLU 564.A OE1 no hydrogen 2.936 N/A VAL 562.A N GLU 568.A O no hydrogen 2.986 N/A GLU 564.A N THR 561.A O no hydrogen 2.927 N/A GLY 565.A N VAL 562.A O no hydrogen 3.006 N/A GLY 566.A N THR 561.A O no hydrogen 2.749 N/A ILE 567.A N TRP 558.A O no hydrogen 2.870 N/A GLU 568.A N GLY 560.A O no hydrogen 3.262 N/A ILE 569.A N TRP 50.A O no hydrogen 2.908 N/A THR 571.A N ASP 48.A O no hydrogen 3.095 N/A THR 571.A OG1 ASP 48.A O no hydrogen 3.484 N/A THR 571.A OG1 ASP 48.A OD1 no hydrogen 2.640 N/A LYS 573.A N PRO 570.A O no hydrogen 3.094 N/A LYS 573.A NZ ASP 577.A OD1 no hydrogen 3.301 N/A LYS 573.A NZ ASP 577.A OD2 no hydrogen 3.405 N/A ILE 574.A N PRO 570.A O no hydrogen 3.325 N/A PHE 575.A N THR 571.A O no hydrogen 3.033 N/A GLU 576.A N ALA 572.A O no hydrogen 2.943 N/A ASP 577.A N LYS 573.A O no hydrogen 3.037 N/A LEU 578.A N ILE 574.A O no hydrogen 2.822 N/A GLN 579.A N PHE 575.A O no hydrogen 2.772 N/A LYS 580.A N GLU 576.A O no hydrogen 2.936 N/A ALA 581.A N ASP 577.A O no hydrogen 3.020 N/A ALA 581.A N LEU 578.A O no hydrogen 3.010 N/A THR 582.A N GLN 579.A O no hydrogen 2.936 N/A THR 582.A OG1 LEU 578.A O no hydrogen 3.262 N/A THR 582.A OG1 GLN 579.A O no hydrogen 3.249 N/A