Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8jjr_b.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 4.A SG GLY 2.A O no hydrogen 3.364 N/A THR 6.A N THR 625.A O no hydrogen 3.110 N/A THR 6.A OG1 LEU 627.A O no hydrogen 3.566 N/A ARG 8.A N ALA 5.A O no hydrogen 3.081 N/A GLN 11.A N SER 7.A O no hydrogen 2.888 N/A GLN 11.A NE2 GLN 633.A OE1 no hydrogen 3.158 N/A VAL 12.A N ARG 8.A O no hydrogen 2.929 N/A MET 13.A N TYR 9.A O no hydrogen 2.870 N/A GLY 14.A N LEU 10.A O no hydrogen 2.920 N/A SER 15.A N VAL 12.A O no hydrogen 2.956 N/A SER 15.A OG GLN 11.A O no hydrogen 3.358 N/A ASP 18.A N SER 15.A O no hydrogen 3.134 N/A SER 21.A N ASP 18.A O no hydrogen 2.807 N/A SER 21.A OG ASP 18.A OD2 no hydrogen 3.247 N/A TYR 22.A N ILE 19.A O no hydrogen 2.985 N/A TYR 22.A OH ILE 16.A O no hydrogen 1.960 N/A SER 30.A N ASN 27.A OD1 no hydrogen 2.393 N/A SER 30.A OG ASN 27.A OD1 no hydrogen 3.230 N/A LEU 31.A N ASN 27.A O no hydrogen 2.987 N/A ASN 32.A N THR 28.A O no hydrogen 2.828 N/A LEU 33.A N LEU 29.A O no hydrogen 2.951 N/A GLN 34.A N SER 30.A O no hydrogen 2.917 N/A ILE 35.A N LEU 31.A O no hydrogen 2.943 N/A PHE 36.A N ASN 32.A O no hydrogen 2.885 N/A THR 37.A N LEU 33.A O no hydrogen 2.953 N/A THR 37.A OG1 LEU 33.A O no hydrogen 2.902 N/A ALA 38.A N GLN 34.A O no hydrogen 2.912 N/A HIS 39.A N ILE 35.A O no hydrogen 2.872 N/A TRP 40.A N PHE 36.A O no hydrogen 2.980 N/A GLY 41.A N THR 37.A O no hydrogen 2.967 N/A HIS 42.A N ALA 38.A O no hydrogen 2.879 N/A LEU 43.A N HIS 39.A O no hydrogen 2.922 N/A ALA 44.A N TRP 40.A O no hydrogen 2.958 N/A ILE 45.A N GLY 41.A O no hydrogen 2.935 N/A ILE 46.A N HIS 42.A O no hydrogen 2.938 N/A LEU 47.A N LEU 43.A O no hydrogen 2.929 N/A MET 48.A N ALA 44.A O no hydrogen 2.916 N/A TRP 49.A N ILE 45.A O no hydrogen 2.900 N/A ILE 50.A N ILE 46.A O no hydrogen 2.954 N/A SER 51.A N LEU 47.A O no hydrogen 2.893 N/A SER 51.A OG THR 127.A O no hydrogen 3.122 N/A SER 51.A OG SER 131.A OG no hydrogen 2.801 N/A GLY 52.A N MET 48.A O no hydrogen 2.843 N/A ASN 53.A N TRP 49.A O no hydrogen 2.977 N/A LEU 54.A N ILE 50.A O no hydrogen 2.947 N/A TYR 55.A N SER 51.A O no hydrogen 2.842 N/A HIS 56.A N GLY 52.A O no hydrogen 2.944 N/A HIS 56.A ND1 ASN 60.A OD1 no hydrogen 2.686 N/A ILE 57.A N ASN 53.A O no hydrogen 2.963 N/A ALA 58.A N LEU 54.A O no hydrogen 2.910 N/A SER 59.A N TYR 55.A O no hydrogen 2.876 N/A ASN 60.A N HIS 56.A O no hydrogen 2.919 N/A ASN 62.A ND2 MET 74.A O no hydrogen 3.624 N/A TYR 63.A OH PHE 117.A O no hydrogen 2.417 N/A TRP 66.A N ASN 62.A O no hydrogen 2.873 N/A ILE 67.A N TYR 63.A O no hydrogen 2.948 N/A LYS 68.A N LEU 65.A O no hydrogen 3.224 N/A SER 73.A N ASN 69.A O no hydrogen 3.303 N/A SER 73.A OG ASN 69.A O no hydrogen 2.325 N/A ILE 76.A N ASN 62.A OD1 no hydrogen 3.218 N/A ALA 77.A N LEU 102.A O no hydrogen 2.450 N/A HIS 78.A ND1 ASN 79.A O no hydrogen 2.893 N/A ILE 80.A N ALA 100.A O no hydrogen 2.947 N/A HIS 84.A N ASP 82.A OD1 no hydrogen 3.012 N/A HIS 84.A ND1 ASP 82.A OD1 no hydrogen 2.414 N/A PHE 85.A N ASP 82.A O no hydrogen 3.269 N/A THR 89.A OG1 SER 90.A O no hydrogen 3.378 N/A THR 91.A OG1 SER 94.A OG no hydrogen 3.251 N/A TYR 93.A OH ASP 569.A O no hydrogen 3.403 N/A TYR 93.A OH SER 571.A OG no hydrogen 2.864 N/A SER 94.A N THR 91.A O no hydrogen 3.232 N/A SER 94.A OG THR 91.A OG1 no hydrogen 3.251 N/A SER 94.A OG THR 98.A O no hydrogen 2.876 N/A THR 96.A OG1 HIS 95.A O no hydrogen 2.291 N/A VAL 101.A N TYR 93.A O no hydrogen 3.265 N/A LEU 102.A N HIS 78.A O no hydrogen 3.134 N/A ALA 104.A N PRO 75.A O no hydrogen 2.889 N/A TYR 109.A OH ILE 76.A O no hydrogen 2.936 N/A ASN 110.A ND2 PHE 315.A O no hydrogen 2.429 N/A GLN 111.A N GLY 107.A O no hydrogen 2.932 N/A LEU 112.A N ILE 108.A O no hydrogen 2.900 N/A TYR 113.A N TYR 109.A O no hydrogen 2.882 N/A THR 114.A N ASN 110.A O no hydrogen 2.941 N/A SER 115.A N GLN 111.A O no hydrogen 2.890 N/A GLY 116.A N LEU 112.A O no hydrogen 2.941 N/A PHE 117.A N LEU 112.A O no hydrogen 3.017 N/A SER 118.A N GLN 122.A OE1 no hydrogen 2.739 N/A THR 119.A N GLN 122.A OE1 no hydrogen 3.467 N/A GLN 122.A N THR 119.A O no hydrogen 3.139 N/A TYR 124.A N VAL 120.A O no hydrogen 2.922 N/A LYS 125.A N ASN 121.A O no hydrogen 2.917 N/A ALA 126.A N GLN 122.A O no hydrogen 2.969 N/A THR 127.A N ILE 123.A O no hydrogen 2.892 N/A THR 127.A OG1 ILE 123.A O no hydrogen 2.808 N/A PHE 128.A N TYR 124.A O no hydrogen 2.979 N/A ALA 129.A N LYS 125.A O no hydrogen 2.959 N/A PHE 130.A N ALA 126.A O no hydrogen 2.941 N/A SER 131.A N THR 127.A O no hydrogen 3.162 N/A SER 131.A OG SER 51.A OG no hydrogen 2.801 N/A SER 131.A OG THR 127.A O no hydrogen 3.067 N/A CYS 132.A N PHE 128.A O no hydrogen 3.092 N/A CYS 132.A SG PHE 128.A O no hydrogen 3.178 N/A LEU 133.A N ALA 129.A O no hydrogen 3.001 N/A ALA 134.A N PHE 130.A O no hydrogen 2.940 N/A VAL 135.A N SER 131.A O no hydrogen 3.013 N/A ILE 136.A N CYS 132.A O no hydrogen 2.898 N/A SER 137.A N LEU 133.A O no hydrogen 2.884 N/A SER 137.A OG TRP 40.A O no hydrogen 2.953 N/A ILE 138.A N ALA 134.A O no hydrogen 3.032 N/A LEU 139.A N VAL 135.A O no hydrogen 2.940 N/A LEU 140.A N ILE 136.A O no hydrogen 2.860 N/A ALA 141.A N SER 137.A O no hydrogen 2.983 N/A LYS 142.A N ILE 138.A O no hydrogen 3.018 N/A ILE 143.A N LEU 139.A O no hydrogen 2.856 N/A HIS 144.A N LEU 140.A O no hydrogen 2.927 N/A ILE 145.A N ALA 141.A O no hydrogen 2.990 N/A ARG 146.A N LYS 142.A O no hydrogen 2.984 N/A THR 147.A N ILE 143.A O no hydrogen 2.902 N/A THR 147.A OG1 ILE 143.A O no hydrogen 3.238 N/A THR 147.A OG1 HIS 144.A O no hydrogen 2.681 N/A HIS 148.A N HIS 144.A O no hydrogen 2.968 N/A SER 149.A N ILE 145.A O no hydrogen 2.952 N/A SER 149.A OG ILE 145.A O no hydrogen 3.049 N/A GLU 150.A N ARG 146.A O no hydrogen 2.881 N/A VAL 151.A N THR 147.A O no hydrogen 3.060 N/A LEU 152.A N HIS 148.A O no hydrogen 3.136 N/A HIS 153.A N SER 149.A O no hydrogen 3.059 N/A ASN 154.A N GLU 150.A O no hydrogen 3.025 N/A SER 155.A N VAL 151.A O no hydrogen 2.931 N/A SER 155.A OG VAL 151.A O no hydrogen 3.486 N/A SER 155.A OG LEU 152.A O no hydrogen 2.741 N/A ALA 156.A N LEU 152.A O no hydrogen 2.873 N/A THR 157.A N HIS 153.A O no hydrogen 2.897 N/A THR 157.A OG1 HIS 153.A O no hydrogen 3.249 N/A HIS 158.A N ASN 154.A O no hydrogen 2.869 N/A GLN 167.A N SER 164.A O no hydrogen 2.868 N/A LEU 168.A N PHE 165.A O no hydrogen 3.108 N/A LEU 169.A N PHE 166.A O no hydrogen 3.020 N/A TYR 170.A N GLN 167.A O no hydrogen 3.146 N/A PHE 171.A N LEU 168.A O no hydrogen 3.210 N/A VAL 174.A N PHE 171.A O no hydrogen 3.285 N/A ILE 176.A N ASP 173.A O no hydrogen 3.264 N/A SER 177.A N ASP 173.A O no hydrogen 2.924 N/A SER 177.A OG ASP 173.A O no hydrogen 2.558 N/A SER 177.A OG ASP 173.A OD2 no hydrogen 3.283 N/A SER 178.A N VAL 174.A O no hydrogen 2.881 N/A SER 178.A OG VAL 174.A O no hydrogen 2.895 N/A LEU 183.A N ILE 179.A O no hydrogen 2.870 N/A ASN 184.A N ASN 180.A O no hydrogen 2.943 N/A ASN 184.A ND2 TYR 258.A O no hydrogen 2.205 N/A PHE 185.A N ILE 181.A O no hydrogen 2.950 N/A HIS 186.A N ARG 182.A O no hydrogen 2.861 N/A THR 187.A N LEU 183.A O no hydrogen 2.941 N/A GLY 188.A N ASN 184.A O no hydrogen 2.910 N/A VAL 189.A N PHE 185.A O no hydrogen 2.886 N/A LEU 190.A N PHE 185.A O no hydrogen 3.271 N/A GLY 192.A N THR 187.A O no hydrogen 3.381 N/A PHE 193.A N GLY 188.A O no hydrogen 2.867 N/A PHE 194.A N VAL 189.A O no hydrogen 3.086 N/A SER 195.A N VAL 191.A O no hydrogen 2.922 N/A SER 195.A OG VAL 191.A O no hydrogen 2.432 N/A ILE 196.A N GLY 192.A O no hydrogen 2.974 N/A ALA 197.A N PHE 193.A O no hydrogen 2.848 N/A TYR 198.A N PHE 194.A O no hydrogen 2.905 N/A THR 199.A N SER 195.A O no hydrogen 2.912 N/A THR 199.A OG1 SER 195.A O no hydrogen 3.350 N/A THR 199.A OG1 ALA 241.A O no hydrogen 2.846 N/A GLY 200.A N ILE 196.A O no hydrogen 2.972 N/A HIS 201.A N ALA 197.A O no hydrogen 2.897 N/A LEU 202.A N TYR 198.A O no hydrogen 2.867 N/A LEU 203.A N THR 199.A O no hydrogen 2.941 N/A ASP 204.A N GLY 200.A O no hydrogen 2.944 N/A VAL 205.A N HIS 201.A O no hydrogen 2.893 N/A VAL 205.A N LEU 202.A O no hydrogen 3.274 N/A ILE 207.A N LEU 202.A O no hydrogen 2.995 N/A ALA 209.A N VAL 205.A O no hydrogen 3.101 N/A SER 210.A N ALA 206.A O no hydrogen 2.992 N/A SER 210.A OG ALA 206.A O no hydrogen 3.065 N/A SER 210.A OG ILE 207.A O no hydrogen 2.815 N/A ARG 211.A N ILE 207.A O no hydrogen 2.918 N/A SER 215.A OG TYR 221.A OH no hydrogen 2.791 N/A HIS 216.A ND1 THR 217.A O no hydrogen 3.178 N/A THR 217.A OG1 LEU 203.A O no hydrogen 3.465 N/A SER 220.A N SER 218.A OG no hydrogen 3.412 N/A TYR 221.A N SER 218.A O no hydrogen 2.985 N/A TYR 221.A OH SER 215.A OG no hydrogen 2.791 N/A LEU 222.A N LEU 219.A O no hydrogen 2.889 N/A THR 223.A OG1 THR 238.A OG1 no hydrogen 3.126 N/A THR 223.A OG1 ASP 239.A OD1 no hydrogen 2.818 N/A PHE 225.A N ASP 239.A OD1 no hydrogen 2.867 N/A LEU 228.A N SER 436.A O no hydrogen 2.920 N/A LYS 229.A N SER 234.A O no hydrogen 2.747 N/A SER 230.A OG ASP 231.A OD2 no hydrogen 3.556 N/A SER 234.A OG LEU 235.A O no hydrogen 3.164 N/A LEU 235.A N THR 312.A O no hydrogen 2.696 N/A THR 238.A OG1 THR 223.A OG1 no hydrogen 3.126 N/A ASP 239.A N TYR 236.A O no hydrogen 3.231 N/A ILE 240.A N TYR 236.A O no hydrogen 3.225 N/A ALA 241.A N LEU 237.A O no hydrogen 3.150 N/A HIS 242.A N THR 238.A O no hydrogen 3.394 N/A HIS 243.A N ASP 239.A O no hydrogen 2.891 N/A HIS 244.A N ILE 240.A O no hydrogen 2.956 N/A HIS 244.A ND1 ILE 240.A O no hydrogen 2.888 N/A LEU 245.A N ALA 241.A O no hydrogen 3.063 N/A ALA 246.A N HIS 242.A O no hydrogen 2.964 N/A ILE 247.A N HIS 243.A O no hydrogen 3.070 N/A GLY 248.A N HIS 244.A O no hydrogen 2.858 N/A VAL 249.A N LEU 245.A O no hydrogen 2.935 N/A ILE 250.A N ALA 246.A O no hydrogen 2.983 N/A PHE 251.A N ILE 247.A O no hydrogen 2.935 N/A VAL 252.A N GLY 248.A O no hydrogen 2.848 N/A TYR 253.A N VAL 249.A O no hydrogen 2.965 N/A ILE 254.A N ILE 250.A O no hydrogen 2.937 N/A GLY 255.A N PHE 251.A O no hydrogen 2.894 N/A GLY 255.A N VAL 252.A O no hydrogen 3.236 N/A HIS 256.A N TYR 253.A O no hydrogen 3.376 N/A LEU 257.A N ILE 254.A O no hydrogen 3.242 N/A TYR 258.A N ASN 184.A OD1 no hydrogen 3.211 N/A SER 259.A N THR 267.A O no hydrogen 3.155 N/A THR 267.A N LEU 257.A O no hydrogen 3.109 N/A THR 267.A OG1 LEU 257.A O no hydrogen 3.236 N/A ILE 269.A N ASN 180.A OD1 no hydrogen 3.229 N/A ARG 270.A NH2 ASP 271.A OD1 no hydrogen 3.006 N/A MET 272.A N TYR 268.A O no hydrogen 2.955 N/A LEU 273.A N ILE 269.A O no hydrogen 2.979 N/A TYR 274.A N ARG 270.A O no hydrogen 2.914 N/A THR 275.A N ASP 271.A O no hydrogen 3.093 N/A THR 275.A OG1 ASP 271.A O no hydrogen 2.868 N/A THR 275.A OG1 MET 272.A O no hydrogen 3.129 N/A SER 276.A N LEU 273.A O no hydrogen 3.351 N/A SER 276.A OG LEU 273.A O no hydrogen 3.405 N/A SER 276.A OG ILE 278.A O no hydrogen 3.240 N/A ILE 283.A N PHE 281.A O no hydrogen 2.827 N/A SER 285.A N GLN 282.A O no hydrogen 2.780 N/A SER 285.A OG ASP 353.A OD2 no hydrogen 2.059 N/A HIS 287.A NE2 GLU 20.A OE1 no hydrogen 2.583 N/A ALA 289.A N SER 285.A O no hydrogen 2.947 N/A LEU 290.A N LEU 286.A O no hydrogen 2.874 N/A SER 291.A N HIS 287.A O no hydrogen 2.867 N/A SER 291.A OG HIS 287.A O no hydrogen 3.067 N/A SER 291.A OG SER 342.A O no hydrogen 3.203 N/A LEU 292.A N LEU 288.A O no hydrogen 2.964 N/A ALA 293.A N ALA 289.A O no hydrogen 2.929 N/A LEU 294.A N LEU 290.A O no hydrogen 2.849 N/A ALA 295.A N SER 291.A O no hydrogen 2.910 N/A GLY 296.A N LEU 292.A O no hydrogen 2.992 N/A CYS 297.A N ALA 293.A O no hydrogen 2.873 N/A ALA 298.A N LEU 294.A O no hydrogen 2.839 N/A VAL 299.A N ALA 295.A O no hydrogen 3.006 N/A LEU 300.A N GLY 296.A O no hydrogen 2.953 N/A THR 301.A N CYS 297.A O no hydrogen 2.829 N/A THR 301.A OG1 CYS 297.A O no hydrogen 2.277 N/A SER 302.A N ALA 298.A O no hydrogen 2.945 N/A SER 302.A OG VAL 299.A O no hydrogen 2.944 N/A ALA 303.A N VAL 299.A O no hydrogen 2.905 N/A THR 304.A N LEU 300.A O no hydrogen 2.901 N/A ALA 305.A N THR 301.A O no hydrogen 2.910 N/A GLN 306.A N SER 302.A O no hydrogen 2.972 N/A HIS 307.A N ALA 303.A O no hydrogen 2.876 N/A ILE 308.A N THR 304.A O no hydrogen 2.880 N/A SER 310.A N GLN 306.A O no hydrogen 2.932 N/A SER 310.A OG GLN 306.A O no hydrogen 2.988 N/A LEU 311.A N HIS 307.A O no hydrogen 2.888 N/A TYR 314.A OH GLN 111.A OE1 no hydrogen 3.107 N/A TYR 316.A N THR 232.A O no hydrogen 3.089 N/A LEU 317.A N TYR 314.A O no hydrogen 3.207 N/A SER 318.A OG ALA 233.A O no hydrogen 3.518 N/A TYR 319.A N TYR 316.A O no hydrogen 3.206 N/A ASP 320.A N LEU 317.A O no hydrogen 3.145 N/A THR 323.A N ASP 320.A OD1 no hydrogen 3.354 N/A THR 323.A OG1 ASP 320.A OD2 no hydrogen 2.123 N/A SER 324.A OG ASP 320.A O no hydrogen 3.011 N/A THR 326.A N VAL 322.A O no hydrogen 2.925 N/A THR 326.A OG1 TYR 105.A O no hydrogen 2.845 N/A THR 326.A OG1 VAL 322.A O no hydrogen 3.165 N/A THR 326.A OG1 THR 323.A O no hydrogen 2.630 N/A LEU 327.A N THR 323.A O no hydrogen 2.880 N/A TYR 328.A N SER 324.A O no hydrogen 2.987 N/A VAL 329.A N VAL 325.A O no hydrogen 2.936 N/A HIS 330.A N THR 326.A O no hydrogen 2.868 N/A HIS 331.A N LEU 327.A O no hydrogen 2.986 N/A SER 332.A N TYR 328.A O no hydrogen 2.903 N/A SER 332.A OG VAL 329.A O no hydrogen 3.015 N/A SER 332.A OG ASN 519.A OD1 no hydrogen 3.414 N/A SER 332.A OG ASP 523.A OD1 no hydrogen 2.990 N/A TYR 333.A N VAL 329.A O no hydrogen 2.944 N/A ILE 334.A N HIS 330.A O no hydrogen 2.966 N/A ALA 335.A N HIS 331.A O no hydrogen 2.881 N/A SER 336.A N SER 332.A O no hydrogen 2.940 N/A SER 336.A OG SER 332.A O no hydrogen 2.902 N/A PHE 337.A N TYR 333.A O no hydrogen 2.951 N/A LEU 338.A N ILE 334.A O no hydrogen 2.925 N/A ALA 339.A N ALA 335.A O no hydrogen 2.915 N/A ILE 340.A N SER 336.A O no hydrogen 3.010 N/A ALA 341.A N PHE 337.A O no hydrogen 2.870 N/A SER 342.A N LEU 338.A O no hydrogen 2.895 N/A SER 342.A OG ALA 339.A O no hydrogen 2.555 N/A HIS 343.A N ALA 339.A O no hydrogen 3.052 N/A ALA 344.A N ILE 340.A O no hydrogen 2.911 N/A HIS 345.A N ALA 341.A O no hydrogen 2.908 N/A ALA 346.A N SER 342.A O no hydrogen 2.916 N/A ALA 347.A N HIS 343.A O no hydrogen 2.981 N/A ILE 348.A N ALA 344.A O no hydrogen 2.938 N/A THR 349.A N HIS 345.A O no hydrogen 2.854 N/A THR 349.A OG1 HIS 345.A O no hydrogen 2.986 N/A LEU 350.A N ALA 346.A O no hydrogen 2.964 N/A VAL 351.A N ALA 347.A O no hydrogen 2.912 N/A ARG 352.A N ILE 348.A O no hydrogen 2.950 N/A ASP 353.A N THR 349.A O no hydrogen 2.735 N/A TRP 354.A N THR 349.A O no hydrogen 2.864 N/A GLU 361.A N LEU 358.A O no hydrogen 3.008 N/A SER 362.A OG SER 362.A O no hydrogen 2.620 N/A ARG 368.A N CYS 364.A O no hydrogen 2.933 N/A ARG 368.A NH1 THR 365.A OG1 no hydrogen 3.390 N/A ILE 369.A N THR 365.A O no hydrogen 2.892 N/A HIS 370.A N ILE 366.A O no hydrogen 2.900 N/A HIS 370.A ND1 ILE 366.A O no hydrogen 2.725 N/A THR 371.A N ALA 367.A O no hydrogen 2.944 N/A THR 371.A N ARG 368.A O no hydrogen 3.268 N/A THR 371.A OG1 ALA 367.A O no hydrogen 3.494 N/A THR 371.A OG1 ARG 368.A O no hydrogen 2.074 N/A HIS 372.A N ILE 369.A O no hydrogen 3.279 N/A HIS 372.A ND1 ARG 368.A O no hydrogen 2.851 N/A LYS 373.A NZ LEU 471.A O no hydrogen 3.316 N/A ILE 376.A N HIS 372.A O no hydrogen 2.976 N/A ILE 377.A N LYS 373.A O no hydrogen 2.894 N/A SER 378.A N ALA 374.A O no hydrogen 2.912 N/A SER 378.A OG ALA 374.A O no hydrogen 2.749 N/A SER 378.A OG ALA 375.A O no hydrogen 2.782 N/A HIS 379.A N ALA 375.A O no hydrogen 2.950 N/A HIS 379.A ND1 ALA 375.A O no hydrogen 2.957 N/A LEU 380.A N ILE 376.A O no hydrogen 2.950 N/A SER 381.A N ILE 377.A O no hydrogen 2.873 N/A TRP 382.A N SER 378.A O no hydrogen 2.909 N/A VAL 383.A N HIS 379.A O no hydrogen 2.946 N/A SER 384.A N LEU 380.A O no hydrogen 2.940 N/A SER 384.A OG LEU 380.A O no hydrogen 2.883 N/A LEU 385.A N SER 381.A O no hydrogen 2.874 N/A TRP 386.A N TRP 382.A O no hydrogen 2.902 N/A LEU 387.A N VAL 383.A O no hydrogen 2.946 N/A GLY 388.A N SER 384.A O no hydrogen 2.912 N/A PHE 389.A N LEU 385.A O no hydrogen 2.864 N/A HIS 390.A N TRP 386.A O no hydrogen 2.976 N/A HIS 390.A ND1 TRP 386.A O no hydrogen 2.812 N/A THR 391.A N LEU 387.A O no hydrogen 2.901 N/A THR 391.A OG1 LEU 387.A O no hydrogen 2.314 N/A LEU 392.A N GLY 388.A O no hydrogen 2.937 N/A ALA 393.A N PHE 389.A O no hydrogen 2.861 N/A ILE 394.A N HIS 390.A O no hydrogen 2.905 N/A TYR 395.A N THR 391.A O no hydrogen 2.946 N/A SER 396.A N LEU 392.A O no hydrogen 2.851 N/A SER 396.A OG LEU 392.A O no hydrogen 2.756 N/A HIS 397.A N ALA 393.A O no hydrogen 2.860 N/A HIS 397.A NE2 LYS 409.A O no hydrogen 2.678 N/A ASN 398.A N ILE 394.A O no hydrogen 2.964 N/A ASN 398.A ND2 ILE 411.A O no hydrogen 3.372 N/A ASN 398.A ND2 THR 541.A O no hydrogen 2.702 N/A ASP 399.A N TYR 395.A O no hydrogen 2.841 N/A THR 400.A N SER 396.A O no hydrogen 2.877 N/A THR 400.A OG1 SER 396.A O no hydrogen 2.978 N/A THR 400.A OG1 HIS 397.A O no hydrogen 2.796 N/A ASN 401.A N HIS 397.A O no hydrogen 2.976 N/A MET 402.A N ASN 398.A O no hydrogen 2.880 N/A ALA 403.A N ASP 399.A O no hydrogen 2.859 N/A PHE 404.A N THR 400.A O no hydrogen 2.932 N/A GLY 405.A N MET 402.A O no hydrogen 2.884 N/A SER 406.A N ASN 401.A O no hydrogen 2.862 N/A SER 406.A OG ASN 401.A O no hydrogen 3.133 N/A LYS 409.A N SER 406.A O no hydrogen 3.068 N/A GLN 410.A N PRO 407.A O no hydrogen 2.986 N/A ILE 411.A N ASN 398.A OD1 no hydrogen 3.065 N/A ILE 413.A N TYR 450.A OH no hydrogen 3.118 N/A THR 416.A OG1 ASN 417.A OD1 no hydrogen 3.255 N/A GLN 419.A N PRO 415.A O no hydrogen 2.905 N/A GLN 419.A NE2 GLU 414.A OE2 no hydrogen 2.721 N/A GLN 419.A NE2 ILE 444.A O no hydrogen 3.464 N/A LEU 420.A N THR 416.A O no hydrogen 2.861 N/A ILE 421.A N ASN 417.A O no hydrogen 2.972 N/A GLN 422.A N ALA 418.A O no hydrogen 2.870 N/A GLN 422.A NE2 TYR 442.A O no hydrogen 2.487 N/A GLU 423.A N GLN 419.A O no hydrogen 2.835 N/A SER 424.A N LEU 420.A O no hydrogen 2.923 N/A SER 425.A N ILE 421.A O no hydrogen 2.949 N/A SER 425.A OG ILE 421.A O no hydrogen 3.077 N/A GLY 426.A N GLN 422.A O no hydrogen 2.854 N/A LYS 427.A N GLU 423.A O no hydrogen 2.840 N/A ALA 428.A N SER 424.A O no hydrogen 2.966 N/A LEU 429.A N SER 425.A O no hydrogen 2.918 N/A TYR 430.A N GLY 426.A O no hydrogen 2.829 N/A SER 431.A N LYS 427.A O no hydrogen 2.910 N/A SER 431.A OG LYS 427.A O no hydrogen 3.068 N/A PHE 432.A N ALA 428.A O no hydrogen 2.933 N/A ALA 433.A N LEU 429.A O no hydrogen 2.879 N/A ILE 434.A N TYR 430.A O no hydrogen 2.892 N/A ASN 435.A N SER 431.A O no hydrogen 2.914 N/A GLY 445.A N ASP 448.A OD2 no hydrogen 2.892 N/A LEU 449.A N GLY 445.A O no hydrogen 2.912 N/A TYR 450.A N PRO 446.A O no hydrogen 2.922 N/A TYR 450.A OH ILE 411.A O no hydrogen 2.248 N/A VAL 451.A N GLY 447.A O no hydrogen 2.940 N/A HIS 452.A N ASP 448.A O no hydrogen 2.854 N/A HIS 452.A ND1 ASP 448.A O no hydrogen 2.775 N/A HIS 453.A N LEU 449.A O no hydrogen 2.948 N/A HIS 453.A ND1 LEU 449.A O no hydrogen 2.712 N/A ALA 454.A N TYR 450.A O no hydrogen 2.925 N/A ILE 455.A N VAL 451.A O no hydrogen 2.904 N/A ALA 456.A N HIS 452.A O no hydrogen 2.880 N/A LEU 457.A N HIS 453.A O no hydrogen 2.893 N/A GLY 458.A N ALA 454.A O no hydrogen 2.941 N/A LEU 459.A N ILE 455.A O no hydrogen 2.921 N/A HIS 460.A N ALA 456.A O no hydrogen 2.874 N/A HIS 460.A ND1 ALA 456.A O no hydrogen 2.808 N/A VAL 461.A N LEU 457.A O no hydrogen 2.909 N/A THR 462.A N GLY 458.A O no hydrogen 2.942 N/A THR 462.A OG1 GLY 458.A O no hydrogen 2.678 N/A VAL 463.A N LEU 459.A O no hydrogen 2.921 N/A LEU 464.A N HIS 460.A O no hydrogen 2.818 N/A ILE 465.A N VAL 461.A O no hydrogen 2.951 N/A LEU 466.A N THR 462.A O no hydrogen 2.980 N/A LEU 467.A N VAL 463.A O no hydrogen 2.812 N/A LYS 468.A N LEU 464.A O no hydrogen 2.901 N/A LYS 468.A NZ GLU 472.A OE2 no hydrogen 3.330 N/A GLY 469.A N ILE 465.A O no hydrogen 2.950 N/A ALA 470.A N LEU 466.A O no hydrogen 2.910 N/A LEU 471.A N LEU 467.A O no hydrogen 2.875 N/A GLU 472.A N LYS 468.A O no hydrogen 2.907 N/A ALA 473.A N ALA 470.A O no hydrogen 3.373 N/A ARG 474.A NH1 LEU 350.A O no hydrogen 2.697 N/A ARG 474.A NH1 TRP 354.A O no hydrogen 3.081 N/A SER 476.A N MET 479.A O no hydrogen 3.067 N/A SER 476.A OG GLU 472.A OE1 no hydrogen 2.643 N/A LYS 482.A NZ ILE 502.A O no hydrogen 2.562 N/A GLU 484.A N GLU 484.A OE1 no hydrogen 2.323 N/A SER 486.A OG GLY 488.A O no hydrogen 3.367 N/A CYS 491.A SG GLY 493.A O no hydrogen 3.801 N/A CYS 491.A SG THR 499.A O no hydrogen 2.296 N/A CYS 491.A SG THR 499.A OG1 no hydrogen 2.542 N/A ASP 492.A N THR 499.A OG1 no hydrogen 2.827 N/A ARG 496.A NE LEU 478.A O no hydrogen 2.908 N/A ARG 496.A NH2 ASP 492.A OD2 no hydrogen 2.466 N/A GLY 498.A N GLY 495.A O no hydrogen 3.099 N/A THR 499.A OG1 GLY 493.A O no hydrogen 2.564 N/A SER 503.A N ASP 506.A OD2 no hydrogen 3.059 N/A SER 503.A OG PHE 489.A O no hydrogen 3.000 N/A SER 503.A OG ASP 506.A OD2 no hydrogen 2.230 N/A TRP 505.A N PHE 487.A O no hydrogen 3.407 N/A CYS 507.A N SER 503.A O no hydrogen 3.042 N/A CYS 507.A SG SER 503.A O no hydrogen 3.743 N/A PHE 508.A N ALA 504.A O no hydrogen 3.073 N/A TYR 509.A N TRP 505.A O no hydrogen 2.965 N/A LEU 510.A N ASP 506.A O no hydrogen 3.030 N/A ALA 511.A N CYS 507.A O no hydrogen 2.930 N/A MET 512.A N PHE 508.A O no hydrogen 2.886 N/A MET 515.A N ALA 511.A O no hydrogen 3.051 N/A LEU 516.A N MET 512.A O no hydrogen 3.066 N/A ASN 517.A N PHE 513.A O no hydrogen 2.934 N/A THR 518.A N TRP 514.A O no hydrogen 2.906 N/A ASN 519.A N MET 515.A O no hydrogen 2.853 N/A ASN 519.A ND2 SER 332.A O no hydrogen 3.485 N/A ASN 519.A ND2 SER 332.A OG no hydrogen 3.212 N/A ALA 520.A N LEU 516.A O no hydrogen 2.911 N/A TRP 521.A N ASN 517.A O no hydrogen 2.925 N/A ILE 522.A N THR 518.A O no hydrogen 2.995 N/A ASP 523.A N ASN 519.A O no hydrogen 2.880 N/A PHE 524.A N ALA 520.A O no hydrogen 2.843 N/A TYR 525.A N TRP 521.A O no hydrogen 2.909 N/A TYR 525.A OH ASP 448.A OD1 no hydrogen 2.226 N/A PHE 526.A N ILE 522.A O no hydrogen 2.956 N/A HIS 527.A N ASP 523.A O no hydrogen 2.853 N/A HIS 527.A ND1 TYR 550.A OH no hydrogen 2.719 N/A TYR 528.A N PHE 524.A O no hydrogen 2.860 N/A LYS 529.A N TYR 525.A O no hydrogen 2.973 N/A LYS 529.A NZ ASP 448.A OD1 no hydrogen 2.503 N/A LYS 529.A NZ ASP 448.A OD2 no hydrogen 3.111 N/A TYR 530.A N PHE 526.A O no hydrogen 2.876 N/A TYR 530.A OH TYR 321.A O no hydrogen 2.975 N/A LEU 531.A N HIS 527.A O no hydrogen 2.859 N/A ALA 532.A N TYR 528.A O no hydrogen 2.938 N/A PHE 536.A N ALA 532.A O no hydrogen 2.818 N/A SER 537.A N PRO 533.A O no hydrogen 2.906 N/A SER 537.A OG PRO 533.A O no hydrogen 3.534 N/A SER 537.A OG ARG 534.A O no hydrogen 2.657 N/A GLU 538.A N ARG 534.A O no hydrogen 2.960 N/A SER 539.A N GLN 535.A O no hydrogen 2.863 N/A SER 540.A N PHE 536.A O no hydrogen 2.888 N/A SER 540.A OG PHE 536.A O no hydrogen 2.169 N/A THR 541.A OG1 GLN 410.A OE1 no hydrogen 2.703 N/A GLU 544.A N ASP 399.A OD1 no hydrogen 3.082 N/A SER 545.A N TYR 542.A O no hydrogen 3.101 N/A SER 545.A OG SER 539.A O no hydrogen 2.400 N/A SER 545.A OG TYR 542.A O no hydrogen 2.237 N/A TRP 546.A NE1 SER 540.A O no hydrogen 3.132 N/A PHE 547.A N LEU 543.A O no hydrogen 2.942 N/A ARG 548.A N GLU 544.A O no hydrogen 2.859 N/A ARG 548.A NH1 ASP 549.A OD1 no hydrogen 3.323 N/A ARG 548.A NH2 TYR 542.A OH no hydrogen 3.563 N/A ASP 549.A N SER 545.A O no hydrogen 2.865 N/A TYR 550.A OH HIS 527.A ND1 no hydrogen 2.719 N/A LEU 551.A N TRP 546.A O no hydrogen 3.432 N/A TRP 552.A N PHE 547.A O no hydrogen 3.468 N/A PHE 553.A N ARG 548.A O no hydrogen 2.928 N/A ASN 554.A ND2 TYR 550.A O no hydrogen 2.640 N/A SER 555.A OG LEU 551.A O no hydrogen 2.771 N/A ILE 559.A N SER 555.A O no hydrogen 3.326 N/A ARG 560.A N ALA 556.A O no hydrogen 2.923 N/A ALA 561.A N LEU 558.A O no hydrogen 3.065 N/A SER 563.A N GLY 566.A O no hydrogen 2.863 N/A ASN 568.A N ALA 561.A O no hydrogen 3.230 N/A LEU 570.A N ASN 568.A OD1 no hydrogen 2.852 N/A SER 571.A N ASN 568.A O no hydrogen 3.110 N/A SER 571.A OG TYR 93.A OH no hydrogen 2.864 N/A SER 571.A OG ASN 568.A O no hydrogen 2.919 N/A ALA 574.A N LEU 570.A O no hydrogen 2.971 N/A TRP 575.A N SER 571.A O no hydrogen 3.003 N/A TRP 575.A N VAL 572.A O no hydrogen 3.217 N/A PHE 576.A N VAL 572.A O no hydrogen 3.124 N/A PHE 576.A N GLN 573.A O no hydrogen 3.288 N/A PHE 577.A N GLN 573.A O no hydrogen 2.971 N/A LEU 579.A N TRP 575.A O no hydrogen 3.053 N/A THR 580.A N PHE 576.A O no hydrogen 3.250 N/A THR 580.A OG1 PHE 576.A O no hydrogen 2.751 N/A THR 580.A OG1 PHE 577.A O no hydrogen 2.826 N/A HIS 581.A N PHE 577.A O no hydrogen 3.145 N/A HIS 581.A ND1 PHE 577.A O no hydrogen 2.906 N/A LEU 582.A N LEU 578.A O no hydrogen 3.065 N/A ALA 583.A N LEU 579.A O no hydrogen 2.922 N/A TRP 584.A N THR 580.A O no hydrogen 2.950 N/A ALA 585.A N HIS 581.A O no hydrogen 2.991 N/A THR 586.A N LEU 582.A O no hydrogen 2.878 N/A THR 586.A OG1 LEU 582.A O no hydrogen 3.317 N/A THR 586.A OG1 ALA 583.A O no hydrogen 2.351 N/A GLY 587.A N ALA 583.A O no hydrogen 2.936 N/A PHE 588.A N TRP 584.A O no hydrogen 3.073 N/A MET 589.A N THR 586.A O no hydrogen 2.794 N/A LEU 591.A N GLY 587.A O no hydrogen 2.987 N/A ILE 592.A N PHE 588.A O no hydrogen 2.900 N/A ILE 592.A N MET 589.A O no hydrogen 3.247 N/A SER 593.A N MET 589.A O no hydrogen 2.932 N/A SER 593.A OG MET 589.A O no hydrogen 2.758 N/A TRP 594.A NE1 LEU 591.A O no hydrogen 3.038 N/A ARG 595.A NE ALA 628.A O no hydrogen 3.290 N/A ARG 595.A NH1 GLN 599.A OE1 no hydrogen 3.388 N/A ARG 595.A NH2 GLN 599.A OE1 no hydrogen 2.770 N/A ARG 595.A NH2 ALA 628.A O no hydrogen 3.220 N/A TRP 598.A NE1 SER 593.A OG no hydrogen 2.806 N/A GLN 599.A N ARG 595.A O no hydrogen 2.836 N/A GLN 599.A NE2 GLN 599.A O no hydrogen 2.613 N/A GLU 600.A N GLY 596.A O no hydrogen 2.986 N/A LEU 601.A N TYR 597.A O no hydrogen 2.945 N/A ILE 602.A N TRP 598.A O no hydrogen 2.844 N/A ASP 603.A N GLN 599.A O no hydrogen 2.882 N/A ILE 604.A N GLU 600.A O no hydrogen 2.990 N/A ILE 605.A N LEU 601.A O no hydrogen 2.946 N/A LEU 606.A N ILE 602.A O no hydrogen 2.847 N/A TYR 607.A N ASP 603.A O no hydrogen 2.901 N/A MET 608.A N ILE 604.A O no hydrogen 2.955 N/A HIS 609.A N ILE 605.A O no hydrogen 2.935 N/A HIS 609.A ND1 ILE 605.A O no hydrogen 2.795 N/A LEU 610.A N LEU 606.A O no hydrogen 2.898 N/A LYS 611.A N TYR 607.A O no hydrogen 2.910 N/A LYS 611.A N MET 608.A O no hydrogen 3.173 N/A THR 612.A N MET 608.A O no hydrogen 2.947 N/A THR 612.A N HIS 609.A O no hydrogen 3.250 N/A THR 612.A OG1 MET 608.A O no hydrogen 2.671 N/A THR 612.A OG1 HIS 609.A O no hydrogen 3.465 N/A ILE 616.A N THR 612.A O no hydrogen 3.282 N/A LEU 618.A N LEU 615.A O no hydrogen 3.254 N/A TRP 619.A N LEU 615.A O no hydrogen 2.877 N/A THR 625.A N CYS 4.A O no hydrogen 3.293 N/A LEU 627.A N THR 6.A OG1 no hydrogen 2.895 N/A GLN 633.A N SER 630.A OG no hydrogen 3.135 N/A ALA 634.A N SER 630.A O no hydrogen 2.887 N/A ARG 635.A N ILE 631.A O no hydrogen 2.927 N/A ARG 635.A NH1 SER 490.A O no hydrogen 2.999 N/A ARG 635.A NH2 SER 490.A O no hydrogen 3.091 N/A PHE 636.A N VAL 632.A O no hydrogen 2.916 N/A ILE 637.A N GLN 633.A O no hydrogen 2.891 N/A GLY 638.A N ALA 634.A O no hydrogen 2.879 N/A LEU 639.A N ARG 635.A O no hydrogen 2.921 N/A VAL 640.A N PHE 636.A O no hydrogen 2.847 N/A HIS 641.A N ILE 637.A O no hydrogen 2.921 N/A HIS 641.A ND1 ILE 637.A O no hydrogen 2.716 N/A PHE 642.A N GLY 638.A O no hydrogen 2.895 N/A THR 643.A N LEU 639.A O no hydrogen 2.849 N/A THR 643.A OG1 LEU 639.A O no hydrogen 2.438 N/A ALA 644.A N VAL 640.A O no hydrogen 2.860 N/A GLY 645.A N HIS 641.A O no hydrogen 2.933 N/A LEU 646.A N PHE 642.A O no hydrogen 2.913 N/A ILE 647.A N THR 643.A O no hydrogen 2.881 N/A LEU 648.A N ALA 644.A O no hydrogen 2.879 N/A THR 649.A N GLY 645.A O no hydrogen 2.948 N/A THR 649.A OG1 HIS 581.A ND1 no hydrogen 3.225 N/A TYR 650.A N ILE 647.A O no hydrogen 3.378 N/A TYR 650.A OH ASP 523.A O no hydrogen 3.148 N/A TYR 650.A OH TYR 550.A OH no hydrogen 2.791 N/A ILE 654.A N TYR 650.A O no hydrogen 2.926 N/A ILE 655.A N PRO 651.A O no hydrogen 2.909 N/A SER 656.A N PRO 652.A O no hydrogen 2.915 N/A SER 656.A OG PHE 653.A O no hydrogen 2.965 N/A THR 657.A N PHE 653.A O no hydrogen 2.932 N/A THR 657.A OG1 PHE 653.A O no hydrogen 3.044 N/A THR 657.A OG1 ILE 654.A O no hydrogen 3.054 N/A THR 658.A N ILE 654.A O no hydrogen 2.905 N/A THR 658.A OG1 ILE 654.A O no hydrogen 2.270 N/A SER 659.A N ILE 655.A O no hydrogen 2.904 N/A SER 659.A OG ILE 655.A O no hydrogen 2.676 N/A SER 659.A OG SER 656.A O no hydrogen 3.467 N/A