Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8cvt_U.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 31.A OE2 no hydrogen 2.975 N/A SER 4.A OG GLY 1.A O no hydrogen 2.714 N/A LEU 5.A N GLY 1.A O no hydrogen 3.363 N/A LEU 6.A N ILE 2.A O no hydrogen 3.218 N/A ASP 7.A N ILE 3.A O no hydrogen 2.891 N/A GLU 8.A N SER 4.A O no hydrogen 3.379 N/A LYS 14.A N GLU 10.A O no hydrogen 2.836 N/A GLU 15.A N PRO 11.A O no hydrogen 3.167 N/A PHE 16.A N GLN 12.A O no hydrogen 2.897 N/A ALA 17.A N LEU 13.A O no hydrogen 2.779 N/A LEU 18.A N LYS 14.A O no hydrogen 3.248 N/A HIS 19.A N GLU 15.A O no hydrogen 3.094 N/A HIS 19.A ND1 PHE 16.A O no hydrogen 2.999 N/A LYS 20.A N PHE 16.A O no hydrogen 2.883 N/A LEU 21.A N ALA 17.A O no hydrogen 2.910 N/A ASN 22.A N LEU 18.A O no hydrogen 2.891 N/A ALA 23.A N HIS 19.A O no hydrogen 2.995 N/A VAL 24.A N LYS 20.A O no hydrogen 3.254 N/A ILE 32.A N PHE 28.A O no hydrogen 3.458 N/A SER 33.A N TRP 29.A O no hydrogen 2.970 N/A SER 33.A OG TRP 29.A O no hydrogen 2.844 N/A GLU 34.A N ALA 30.A O no hydrogen 2.628 N/A SER 35.A N GLU 31.A O no hydrogen 3.037 N/A VAL 36.A N SER 33.A O no hydrogen 3.275 N/A ILE 39.A N SER 35.A O no hydrogen 2.715 N/A GLU 40.A N VAL 36.A O no hydrogen 2.677 N/A VAL 41.A N ASP 37.A O no hydrogen 3.198 N/A LEU 42.A N LYS 38.A O no hydrogen 3.069 N/A TYR 43.A N ILE 39.A O no hydrogen 2.703 N/A TYR 43.A OH ASN 73.A O no hydrogen 3.052 N/A GLU 44.A N GLU 40.A O no hydrogen 3.026 N/A ASP 45.A N LEU 42.A O no hydrogen 3.096 N/A GLY 47.A N ASP 45.A OD1 no hydrogen 3.161 N/A PHE 48.A N ASP 45.A O no hydrogen 3.193 N/A ARG 49.A NE GLU 15.A OE2 no hydrogen 2.975 N/A SER 50.A OG GLU 15.A OE2 no hydrogen 3.269 N/A ARG 51.A NE TYR 43.A O no hydrogen 2.996 N/A ARG 51.A NH2 GLU 44.A OE1 no hydrogen 3.562 N/A ALA 54.A N SER 50.A O no hydrogen 2.784 N/A ALA 55.A N ARG 51.A O no hydrogen 2.800 N/A LEU 56.A N GLN 52.A O no hydrogen 2.975 N/A VAL 57.A N PHE 53.A O no hydrogen 2.862 N/A ALA 58.A N ALA 54.A O no hydrogen 2.755 N/A SER 59.A N ALA 55.A O no hydrogen 2.958 N/A SER 59.A OG LEU 56.A O no hydrogen 2.720 N/A LYS 60.A N LEU 56.A O no hydrogen 3.271 N/A VAL 61.A N VAL 57.A O no hydrogen 2.923 N/A PHE 62.A N ALA 58.A O no hydrogen 3.264 N/A TYR 63.A N LYS 60.A O no hydrogen 2.907 N/A SER 71.A OG ALA 67.A O no hydrogen 3.404 N/A LEU 72.A N PHE 68.A O no hydrogen 2.956 N/A ASN 73.A N GLU 69.A O no hydrogen 3.021 N/A TYR 74.A N GLU 70.A O no hydrogen 2.828 N/A TYR 74.A OH GLU 40.A OE1 no hydrogen 3.412 N/A TYR 74.A OH GLU 40.A OE2 no hydrogen 3.232 N/A ALA 75.A N SER 71.A O no hydrogen 2.761 N/A LEU 76.A N LEU 72.A O no hydrogen 3.139 N/A GLY 77.A N ASN 73.A O no hydrogen 3.277 N/A ALA 78.A N TYR 74.A O no hydrogen 2.674 N/A GLY 79.A N ALA 75.A O no hydrogen 2.753 N/A LEU 81.A N ALA 78.A O no hydrogen 3.085 N/A VAL 84.A N ASP 80.A O no hydrogen 2.640 N/A ASN 85.A N LEU 81.A O no hydrogen 3.334 N/A SER 88.A OG GLU 89.A OE1 no hydrogen 3.426 N/A SER 88.A OG GLU 89.A OE2 no hydrogen 3.193 N/A TYR 90.A N GLU 89.A OE1 no hydrogen 3.056 N/A GLU 92.A N SER 88.A O no hydrogen 2.822 N/A THR 93.A OG1 TYR 90.A O no hydrogen 2.662 N/A ILE 94.A N TYR 90.A O no hydrogen 3.092 N/A ILE 95.A N VAL 91.A O no hydrogen 2.692 N/A ALA 96.A N GLU 92.A O no hydrogen 2.939 N/A LYS 97.A N THR 93.A O no hydrogen 2.739 N/A LYS 97.A NZ GLY 66.A O no hydrogen 3.235 N/A CYS 98.A N ILE 94.A O no hydrogen 2.850 N/A CYS 98.A SG ILE 94.A O no hydrogen 3.215 N/A ILE 99.A N ILE 95.A O no hydrogen 2.758 N/A ASP 100.A N ALA 96.A O no hydrogen 2.814 N/A HIS 101.A N LYS 97.A O no hydrogen 2.921 N/A TYR 102.A N CYS 98.A O no hydrogen 2.659 N/A TYR 102.A OH THR 151.A OG1 no hydrogen 2.949 N/A THR 103.A N ILE 99.A O no hydrogen 2.763 N/A THR 103.A OG1 GLU 150.A O no hydrogen 2.908 N/A THR 103.A OG1 GLU 150.A OE1 no hydrogen 2.835 N/A LYS 104.A N ASP 100.A O no hydrogen 3.157 N/A GLN 105.A N HIS 101.A O no hydrogen 3.013 N/A CYS 106.A N TYR 102.A O no hydrogen 2.759 N/A CYS 106.A SG THR 151.A OG1 no hydrogen 3.222 N/A VAL 107.A N THR 103.A O no hydrogen 2.666 N/A GLU 108.A N LYS 104.A O no hydrogen 2.970 N/A ASN 109.A N GLN 105.A O no hydrogen 2.960 N/A ASN 109.A ND2 GLN 105.A OE1 no hydrogen 3.236 N/A ASN 109.A ND2 LYS 118.A O no hydrogen 2.999 N/A ALA 110.A N CYS 106.A O no hydrogen 2.820 N/A ASP 111.A N VAL 107.A O no hydrogen 2.825 N/A LEU 112.A N GLU 108.A O no hydrogen 3.225 N/A LEU 112.A N ASN 109.A O no hydrogen 3.105 N/A LYS 117.A NZ LEU 112.A O no hydrogen 3.153 N/A LYS 118.A NZ GLU 116.A O no hydrogen 2.995 N/A ARG 123.A N ASP 121.A OD1 no hydrogen 3.164 N/A ARG 123.A NE ASP 121.A OD1 no hydrogen 2.778 N/A ARG 123.A NH2 ASP 121.A OD1 no hydrogen 2.865 N/A ARG 123.A NH2 GLN 122.A OE1 no hydrogen 3.087 N/A LEU 124.A N ASP 121.A OD2 no hydrogen 3.002 N/A GLU 125.A N ASP 121.A O no hydrogen 2.706 N/A GLY 126.A N GLN 122.A O no hydrogen 2.749 N/A ILE 127.A N ARG 123.A O no hydrogen 3.069 N/A VAL 128.A N LEU 124.A O no hydrogen 3.094 N/A ASN 129.A N GLU 125.A O no hydrogen 2.805 N/A LYS 130.A N GLY 126.A O no hydrogen 2.982 N/A LYS 130.A NZ ILE 127.A O no hydrogen 3.510 N/A MET 131.A N ILE 127.A O no hydrogen 2.958 N/A PHE 132.A N VAL 128.A O no hydrogen 2.803 N/A GLN 133.A N ASN 129.A O no hydrogen 2.683 N/A ARG 134.A N LYS 130.A O no hydrogen 3.005 N/A ARG 134.A NH1 ASP 86.A OD1 no hydrogen 3.131 N/A CYS 135.A N MET 131.A O no hydrogen 3.032 N/A CYS 135.A SG MET 131.A O no hydrogen 3.347 N/A CYS 135.A SG GLN 143.A O no hydrogen 3.554 N/A LEU 136.A N PHE 132.A O no hydrogen 3.083 N/A ASP 137.A N GLN 133.A O no hydrogen 2.886 N/A ASP 138.A N ARG 134.A O no hydrogen 2.811 N/A HIS 139.A N CYS 135.A O no hydrogen 3.039 N/A TYR 141.A OH ASP 166.A OD2 no hydrogen 2.932 N/A GLN 143.A NE2 ASP 138.A OD2 no hydrogen 2.949 N/A ALA 144.A N LYS 140.A O no hydrogen 2.916 N/A ILE 145.A N TYR 141.A O no hydrogen 2.809 N/A GLY 146.A N GLN 143.A O no hydrogen 2.973 N/A ALA 148.A N ILE 145.A O no hydrogen 2.989 N/A THR 151.A N ILE 147.A O no hydrogen 3.037 N/A THR 151.A OG1 TYR 102.A OH no hydrogen 2.949 N/A ARG 152.A NH1 LEU 149.A O no hydrogen 2.865 N/A ARG 153.A NE THR 151.A OG1 no hydrogen 3.167 N/A PHE 157.A N ARG 153.A O no hydrogen 3.007 N/A GLU 158.A N LEU 154.A O no hydrogen 2.696 N/A LYS 159.A N ASP 155.A O no hydrogen 3.250 N/A THR 160.A N VAL 156.A O no hydrogen 2.846 N/A THR 160.A OG1 PHE 157.A O no hydrogen 2.673 N/A ILE 161.A N PHE 157.A O no hydrogen 2.744 N/A LEU 162.A N GLU 158.A O no hydrogen 2.989 N/A GLU 163.A N LYS 159.A O no hydrogen 2.737 N/A ASN 165.A N LEU 162.A O no hydrogen 2.591 N/A VAL 167.A N GLU 163.A OE2 no hydrogen 2.662 N/A TYR 173.A OH ASP 206.A OD2 no hydrogen 2.861 N/A LYS 176.A N TYR 173.A O no hydrogen 3.027 N/A LYS 176.A NZ ILE 208.A O no hydrogen 3.029 N/A CYS 178.A N SER 174.A O no hydrogen 3.022 N/A CYS 178.A SG SER 174.A O no hydrogen 3.088 N/A MET 179.A N LEU 175.A O no hydrogen 2.763 N/A SER 180.A N LYS 176.A O no hydrogen 3.127 N/A LEU 181.A N LEU 177.A O no hydrogen 3.438 N/A MET 182.A N MET 179.A O no hydrogen 3.251 N/A GLN 186.A N ASN 184.A OD1 no hydrogen 3.207 N/A ARG 188.A N ASN 184.A O no hydrogen 2.913 N/A ASN 189.A N LYS 185.A O no hydrogen 2.670 N/A VAL 191.A N PHE 187.A O no hydrogen 3.155 N/A LEU 192.A N ARG 188.A O no hydrogen 2.670 N/A ARG 193.A N ASN 189.A O no hydrogen 2.806 N/A VAL 194.A N LYS 190.A O no hydrogen 3.027 N/A LEU 195.A N VAL 191.A O no hydrogen 2.909 N/A VAL 196.A N LEU 192.A O no hydrogen 2.972 N/A LYS 197.A N ARG 193.A O no hydrogen 2.968 N/A LYS 197.A NZ ARG 193.A O no hydrogen 3.311 N/A ILE 198.A N VAL 194.A O no hydrogen 2.877 N/A TYR 199.A N LEU 195.A O no hydrogen 2.859 N/A TYR 199.A OH MET 170.A O no hydrogen 3.340 N/A MET 200.A N VAL 196.A O no hydrogen 2.730 N/A ASN 201.A N LYS 197.A O no hydrogen 2.818 N/A LEU 202.A N ILE 198.A O no hydrogen 3.161 N/A ILE 208.A N ASP 206.A OD1 no hydrogen 3.348 N/A ASN 209.A N ASP 206.A OD2 no hydrogen 3.204 N/A VAL 210.A N ASP 206.A O no hydrogen 2.785 N/A CYS 211.A N ILE 208.A O no hydrogen 3.198 N/A CYS 211.A SG ASP 245.A OD2 no hydrogen 3.317 N/A LEU 214.A N VAL 210.A O no hydrogen 3.162 N/A ILE 215.A N CYS 211.A O no hydrogen 2.798 N/A PHE 216.A N GLN 212.A O no hydrogen 2.712 N/A ASP 218.A N CYS 213.A O no hydrogen 3.261 N/A VAL 223.A N ASP 219.A O no hydrogen 3.244 N/A SER 224.A N PRO 220.A O no hydrogen 2.956 N/A SER 224.A OG PRO 220.A O no hydrogen 3.560 N/A SER 224.A OG GLN 221.A O no hydrogen 2.408 N/A ASP 225.A N GLN 221.A O no hydrogen 2.738 N/A ILE 226.A N ALA 222.A O no hydrogen 3.107 N/A LEU 227.A N VAL 223.A O no hydrogen 2.898 N/A GLU 228.A N SER 224.A O no hydrogen 2.718 N/A LYS 229.A N ASP 225.A O no hydrogen 2.961 N/A LEU 230.A N ILE 226.A O no hydrogen 3.012 N/A VAL 231.A N LEU 227.A O no hydrogen 2.909 N/A LYS 232.A N GLU 228.A O no hydrogen 2.738 N/A GLU 233.A N LYS 229.A O no hydrogen 2.842 N/A ASP 234.A N VAL 231.A O no hydrogen 2.979 N/A ASN 235.A N LEU 230.A O no hydrogen 2.833 N/A ALA 239.A N ASN 235.A O no hydrogen 2.956 N/A TYR 240.A N LEU 236.A O no hydrogen 2.690 N/A TYR 240.A OH ILE 801.A O no hydrogen 2.993 N/A GLN 241.A NE2 ILE 800.A O no hydrogen 2.831 N/A ILE 242.A N MET 238.A O no hydrogen 3.383 N/A CYS 243.A N ALA 239.A O no hydrogen 3.297 N/A CYS 243.A SG ALA 239.A O no hydrogen 3.062 N/A PHE 244.A N TYR 240.A O no hydrogen 3.276 N/A ASP 245.A N GLN 241.A O no hydrogen 2.717 N/A LEU 246.A N ILE 242.A O no hydrogen 2.759 N/A TYR 247.A N CYS 243.A O no hydrogen 3.096 N/A GLU 248.A N PHE 244.A O no hydrogen 3.071 N/A SER 249.A N ASP 245.A O no hydrogen 2.750 N/A SER 249.A OG THR 697.A OG1 no hydrogen 2.928 N/A ALA 250.A N LEU 246.A O no hydrogen 2.855 N/A LEU 255.A N GLN 252.A O no hydrogen 2.770 N/A SER 257.A N GLN 253.A O no hydrogen 2.925 N/A SER 257.A OG GLN 253.A O no hydrogen 3.047 N/A VAL 258.A N PHE 254.A O no hydrogen 2.846 N/A ILE 259.A N LEU 255.A O no hydrogen 3.057 N/A GLN 260.A N SER 256.A O no hydrogen 2.842 N/A ASN 261.A N SER 257.A O no hydrogen 2.784 N/A LEU 262.A N VAL 258.A O no hydrogen 2.691 N/A ARG 263.A N ILE 259.A O no hydrogen 2.814 N/A THR 264.A N GLN 260.A O no hydrogen 3.086 N/A GLN 266.A NE2 ASP 234.A OD1 no hydrogen 2.967 N/A THR 267.A N ASP 265.A OD1 no hydrogen 3.156 N/A LYS 269.A N ASP 265.A O no hydrogen 2.994 N/A MET 270.A N GLN 266.A O no hydrogen 2.810 N/A ILE 271.A N THR 267.A O no hydrogen 3.169 N/A LYS 272.A N LEU 268.A O no hydrogen 3.076 N/A ILE 273.A N LYS 269.A O no hydrogen 2.878 N/A LEU 274.A N MET 270.A O no hydrogen 3.053 N/A SER 275.A N ILE 271.A O no hydrogen 2.935 N/A SER 275.A OG LYS 272.A O no hydrogen 2.709 N/A GLY 276.A N LYS 272.A O no hydrogen 3.119 N/A ILE 280.A N GLY 276.A O no hydrogen 3.211 N/A GLU 281.A N GLU 277.A O no hydrogen 2.997 N/A LEU 282.A N MET 278.A O no hydrogen 2.795 N/A HIS 283.A N ALA 279.A O no hydrogen 2.843 N/A LEU 284.A N ILE 280.A O no hydrogen 2.887 N/A GLN 285.A N GLU 281.A O no hydrogen 2.798 N/A PHE 286.A N LEU 282.A O no hydrogen 2.798 N/A LEU 287.A N HIS 283.A O no hydrogen 2.970 N/A ILE 288.A N LEU 284.A O no hydrogen 2.796 N/A ARG 289.A N GLN 285.A O no hydrogen 2.893 N/A ARG 289.A NE GLN 285.A OE1 no hydrogen 2.910 N/A ASN 290.A N PHE 286.A O no hydrogen 2.824 N/A ASN 291.A ND2 THR 293.A OG1 no hydrogen 3.376 N/A ASN 291.A ND2 MET 321.A O no hydrogen 3.284 N/A ASN 292.A ND2 TYR 758.A O no hydrogen 3.013 N/A MET 296.A N ASP 294.A OD1 no hydrogen 3.214 N/A LYS 299.A N LEU 295.A O no hydrogen 2.841 N/A LYS 299.A NZ ASP 333.A OD1 no hydrogen 3.118 N/A ASN 300.A N MET 296.A O no hydrogen 2.788 N/A THR 301.A N ILE 297.A O no hydrogen 3.068 N/A THR 301.A OG1 ILE 297.A O no hydrogen 3.273 N/A THR 301.A OG1 LEU 298.A O no hydrogen 2.722 N/A LYS 302.A N LEU 298.A O no hydrogen 2.740 N/A ASP 303.A N LYS 299.A O no hydrogen 2.822 N/A ARG 306.A NH2 PHE 673.A O no hydrogen 3.270 N/A CYS 310.A SG ALA 304.A O no hydrogen 3.318 N/A THR 312.A OG1 VAL 309.A O no hydrogen 2.833 N/A ALA 313.A N VAL 309.A O no hydrogen 2.619 N/A THR 314.A N CYS 310.A O no hydrogen 2.740 N/A THR 314.A OG1 CYS 310.A O no hydrogen 2.787 N/A THR 314.A OG1 HIS 311.A O no hydrogen 2.759 N/A VAL 315.A N HIS 311.A O no hydrogen 3.043 N/A ILE 316.A N THR 312.A O no hydrogen 3.089 N/A ALA 317.A N ALA 313.A O no hydrogen 2.941 N/A ASN 318.A N THR 314.A O no hydrogen 2.859 N/A SER 319.A N VAL 315.A O no hydrogen 3.009 N/A SER 319.A OG ILE 316.A O no hydrogen 2.783 N/A PHE 320.A N ILE 316.A O no hydrogen 2.949 N/A MET 321.A N ALA 317.A O no hydrogen 3.085 N/A HIS 322.A N ASN 318.A O no hydrogen 2.826 N/A CYS 323.A N PHE 320.A O no hydrogen 3.275 N/A CYS 323.A SG VAL 355.A O no hydrogen 3.425 N/A GLY 324.A N VAL 355.A O no hydrogen 3.258 N/A GLY 324.A N ILE 356.A O no hydrogen 2.873 N/A THR 325.A N HIS 322.A O no hydrogen 2.941 N/A THR 326.A N HIS 322.A O no hydrogen 3.389 N/A THR 326.A N ILE 356.A O no hydrogen 2.998 N/A THR 326.A OG1 THR 325.A O no hydrogen 2.611 N/A SER 327.A OG SER 327.A O no hydrogen 2.647 N/A GLN 329.A N GLN 329.A OE1 no hydrogen 3.163 N/A ARG 332.A N ASP 328.A O no hydrogen 3.130 N/A ASP 333.A N GLN 329.A O no hydrogen 2.898 N/A ASN 334.A N PHE 330.A O no hydrogen 3.241 N/A ASN 334.A ND2 ASP 333.A OD1 no hydrogen 2.866 N/A ALA 339.A N LEU 335.A O no hydrogen 2.886 N/A ARG 340.A N GLU 336.A O no hydrogen 2.999 N/A ARG 340.A N TRP 337.A O no hydrogen 3.282 N/A ALA 341.A N LEU 338.A O no hydrogen 3.261 N/A LYS 346.A N THR 342.A O no hydrogen 2.812 N/A LYS 346.A NZ ALA 341.A O no hydrogen 2.924 N/A THR 348.A N TRP 344.A O no hydrogen 2.963 N/A THR 348.A OG1 TRP 344.A O no hydrogen 3.402 N/A ALA 349.A N ALA 345.A O no hydrogen 2.732 N/A THR 350.A N LYS 346.A O no hydrogen 2.928 N/A ALA 351.A N PHE 347.A O no hydrogen 3.257 N/A SER 352.A N THR 348.A O no hydrogen 2.812 N/A SER 352.A OG THR 348.A O no hydrogen 2.915 N/A SER 352.A OG HIS 722.A NE2 no hydrogen 2.988 N/A LEU 353.A N ALA 349.A O no hydrogen 2.960 N/A GLY 354.A N THR 350.A O no hydrogen 3.137 N/A VAL 355.A N ALA 351.A O no hydrogen 3.134 N/A ILE 356.A N SER 352.A O no hydrogen 3.069 N/A HIS 357.A N LEU 353.A O no hydrogen 2.970 N/A LYS 358.A N VAL 355.A O no hydrogen 3.167 N/A LYS 358.A NZ LEU 393.A O no hydrogen 2.858 N/A LYS 358.A NZ ALA 396.A O no hydrogen 3.280 N/A GLY 359.A N HIS 357.A O no hydrogen 2.901 N/A GLU 363.A N HIS 360.A O no hydrogen 3.171 N/A LEU 365.A N GLU 361.A O no hydrogen 2.920 N/A GLN 366.A N LYS 362.A O no hydrogen 3.208 N/A LEU 367.A N GLU 363.A O no hydrogen 2.981 N/A MET 368.A N ALA 364.A O no hydrogen 2.694 N/A ALA 369.A N LEU 365.A O no hydrogen 3.121 N/A ALA 369.A N GLN 366.A O no hydrogen 3.152 N/A THR 370.A N LEU 367.A O no hydrogen 2.981 N/A THR 370.A OG1 LEU 367.A O no hydrogen 3.213 N/A TYR 371.A OH HIS 357.A NE2 no hydrogen 3.272 N/A LEU 372.A N ALA 369.A O no hydrogen 3.131 N/A THR 376.A N LEU 372.A O no hydrogen 2.717 N/A THR 376.A OG1 LEU 372.A O no hydrogen 2.897 N/A THR 376.A OG1 PRO 373.A O no hydrogen 3.424 N/A SER 380.A N SER 377.A OG no hydrogen 3.423 N/A SER 380.A OG ASN 343.A OD1 no hydrogen 2.722 N/A GLN 383.A N SER 380.A OG no hydrogen 3.347 N/A GLU 384.A N SER 380.A O no hydrogen 3.158 N/A GLY 385.A N ALA 381.A O no hydrogen 2.843 N/A GLY 386.A N TYR 382.A O no hydrogen 2.743 N/A GLY 387.A N GLN 383.A O no hydrogen 2.839 N/A LEU 388.A N GLU 384.A O no hydrogen 3.134 N/A TYR 389.A N GLY 385.A O no hydrogen 2.989 N/A TYR 389.A OH PRO 719.A O no hydrogen 2.995 N/A ALA 390.A N GLY 386.A O no hydrogen 2.741 N/A LEU 391.A N GLY 387.A O no hydrogen 2.916 N/A GLY 392.A N LEU 388.A O no hydrogen 3.115 N/A LEU 393.A N TYR 389.A O no hydrogen 3.056 N/A ILE 394.A N ALA 390.A O no hydrogen 3.024 N/A HIS 395.A N LEU 391.A O no hydrogen 3.241 N/A HIS 395.A ND1 LEU 391.A O no hydrogen 2.974 N/A ALA 396.A N LEU 393.A O no hydrogen 3.206 N/A HIS 398.A N HIS 395.A O no hydrogen 3.147 N/A ASP 404.A N GLY 400.A O no hydrogen 3.328 N/A TYR 405.A N ASP 401.A O no hydrogen 2.693 N/A LEU 406.A N ILE 402.A O no hydrogen 2.737 N/A LEU 407.A N ILE 403.A O no hydrogen 2.960 N/A ASN 408.A N ASP 404.A O no hydrogen 2.875 N/A GLN 409.A N TYR 405.A O no hydrogen 2.816 N/A LEU 410.A N LEU 406.A O no hydrogen 2.789 N/A LYS 411.A N LEU 407.A O no hydrogen 2.952 N/A ASN 412.A N ASN 408.A O no hydrogen 3.224 N/A ALA 413.A N LEU 410.A O no hydrogen 3.108 N/A ARG 419.A NE ASN 445.A OD1 no hydrogen 3.060 N/A ARG 419.A NH1 LEU 410.A O no hydrogen 2.953 N/A HIS 420.A N ILE 417.A O no hydrogen 3.339 N/A GLY 422.A N VAL 418.A O no hydrogen 2.785 N/A SER 423.A N ARG 419.A O no hydrogen 3.396 N/A SER 423.A OG ARG 419.A O no hydrogen 2.835 N/A GLY 425.A N GLY 421.A O no hydrogen 2.767 N/A LEU 426.A N GLY 422.A O no hydrogen 2.937 N/A GLY 427.A N SER 423.A O no hydrogen 2.885 N/A LEU 428.A N LEU 424.A O no hydrogen 3.029 N/A ALA 429.A N GLY 425.A O no hydrogen 2.866 N/A ALA 430.A N LEU 426.A O no hydrogen 2.749 N/A MET 431.A N LEU 428.A O no hydrogen 3.246 N/A GLY 432.A N LEU 463.A O no hydrogen 2.998 N/A THR 433.A N ALA 430.A O no hydrogen 2.990 N/A THR 433.A OG1 ALA 430.A O no hydrogen 2.680 N/A TYR 439.A N ARG 435.A O no hydrogen 3.166 N/A ASP 440.A N GLN 436.A O no hydrogen 2.800 N/A LEU 441.A N ASP 437.A O no hydrogen 2.997 N/A LEU 442.A N VAL 438.A O no hydrogen 2.860 N/A LYS 443.A N TYR 439.A O no hydrogen 2.860 N/A THR 444.A N ASP 440.A O no hydrogen 2.849 N/A THR 444.A OG1 ASP 440.A O no hydrogen 2.889 N/A ASN 445.A N LEU 441.A O no hydrogen 2.972 N/A ASN 445.A ND2 THR 453.A OG1 no hydrogen 2.944 N/A LEU 446.A N LEU 442.A O no hydrogen 2.807 N/A TYR 447.A N LYS 443.A O no hydrogen 2.678 N/A GLN 448.A N ASN 445.A O no hydrogen 3.145 N/A THR 453.A OG1 ASN 445.A OD1 no hydrogen 3.267 N/A GLY 454.A N ASP 450.A O no hydrogen 2.644 N/A GLU 455.A N ALA 451.A O no hydrogen 2.481 N/A ALA 456.A N VAL 452.A O no hydrogen 3.428 N/A ALA 457.A N THR 453.A O no hydrogen 2.900 N/A GLY 458.A N GLY 454.A O no hydrogen 2.632 N/A LEU 459.A N GLU 455.A O no hydrogen 3.036 N/A ALA 460.A N ALA 456.A O no hydrogen 2.992 N/A LEU 461.A N ALA 457.A O no hydrogen 2.678 N/A GLY 462.A N GLY 458.A O no hydrogen 3.117 N/A LEU 463.A N LEU 459.A O no hydrogen 3.034 N/A VAL 464.A N ALA 460.A O no hydrogen 3.010 N/A MET 465.A N LEU 461.A O no hydrogen 3.367 N/A LEU 466.A N LEU 463.A O no hydrogen 3.107 N/A GLY 467.A N VAL 500.A O no hydrogen 2.880 N/A SER 468.A N MET 465.A O no hydrogen 2.908 N/A SER 468.A OG MET 465.A O no hydrogen 2.799 N/A ASN 470.A N SER 468.A OG no hydrogen 3.149 N/A GLN 472.A N GLN 472.A OE1 no hydrogen 2.930 N/A ILE 474.A N ASN 470.A O no hydrogen 3.066 N/A GLU 475.A N ALA 471.A O no hydrogen 2.828 N/A ASP 476.A N GLN 472.A O no hydrogen 2.923 N/A MET 477.A N ALA 473.A O no hydrogen 2.994 N/A VAL 478.A N ILE 474.A O no hydrogen 2.873 N/A GLY 479.A N GLU 475.A O no hydrogen 2.865 N/A TYR 480.A N ASP 476.A O no hydrogen 2.908 N/A TYR 480.A OH ASP 449.A OD1 no hydrogen 2.734 N/A ALA 481.A N MET 477.A O no hydrogen 2.894 N/A GLN 482.A N VAL 478.A O no hydrogen 2.983 N/A GLU 483.A N GLY 479.A O no hydrogen 3.069 N/A THR 484.A N ALA 481.A O no hydrogen 3.342 N/A THR 484.A OG1 HIS 486.A ND1 no hydrogen 3.095 N/A HIS 486.A ND1 THR 484.A OG1 no hydrogen 3.095 N/A ARG 491.A N GLU 487.A O no hydrogen 2.833 N/A GLY 492.A N LYS 488.A O no hydrogen 3.134 N/A LEU 493.A N ILE 489.A O no hydrogen 2.798 N/A ALA 494.A N LEU 490.A O no hydrogen 2.713 N/A VAL 495.A N ARG 491.A O no hydrogen 3.228 N/A GLY 496.A N GLY 492.A O no hydrogen 3.083 N/A ILE 497.A N LEU 493.A O no hydrogen 2.797 N/A ALA 498.A N ALA 494.A O no hydrogen 3.425 N/A LEU 499.A N VAL 495.A O no hydrogen 3.002 N/A VAL 500.A N GLY 496.A O no hydrogen 3.037 N/A MET 501.A N ILE 497.A O no hydrogen 3.341 N/A GLY 503.A N MET 533.A O no hydrogen 2.780 N/A ARG 504.A NE GLU 507.A OE1 no hydrogen 3.004 N/A ARG 504.A NH2 GLY 467.A O no hydrogen 2.952 N/A ASP 509.A N GLU 506.A O no hydrogen 3.371 N/A ILE 512.A N ALA 508.A O no hydrogen 2.784 N/A GLU 513.A N ASP 509.A O no hydrogen 2.864 N/A SER 514.A N ALA 510.A O no hydrogen 2.915 N/A LEU 515.A N LEU 511.A O no hydrogen 2.863 N/A CYS 516.A N ILE 512.A O no hydrogen 3.013 N/A ARG 517.A N GLU 513.A O no hydrogen 2.730 N/A ASP 518.A N SER 514.A O no hydrogen 2.770 N/A LYS 519.A NZ ASP 518.A OD1 no hydrogen 3.092 N/A ASP 520.A N ASP 518.A OD1 no hydrogen 2.990 N/A LEU 523.A N ASP 520.A OD2 no hydrogen 2.844 N/A ARG 524.A N ASP 520.A O no hydrogen 3.231 N/A ARG 524.A NE ASP 520.A O no hydrogen 3.417 N/A ARG 525.A N PRO 521.A O no hydrogen 2.865 N/A ARG 525.A NE TYR 529.A OH no hydrogen 3.360 N/A SER 526.A N ILE 522.A O no hydrogen 2.924 N/A SER 526.A OG ALA 494.A O no hydrogen 2.844 N/A GLY 527.A N LEU 523.A O no hydrogen 2.933 N/A MET 528.A N ARG 524.A O no hydrogen 2.999 N/A TYR 529.A N ARG 525.A O no hydrogen 2.961 N/A TYR 529.A OH GLU 565.A OE1 no hydrogen 3.350 N/A THR 530.A N SER 526.A O no hydrogen 2.640 N/A THR 530.A OG1 SER 526.A O no hydrogen 2.695 N/A VAL 531.A N GLY 527.A O no hydrogen 2.888 N/A ALA 532.A N MET 528.A O no hydrogen 3.084 N/A MET 533.A N TYR 529.A O no hydrogen 2.839 N/A ALA 534.A N THR 530.A O no hydrogen 2.882 N/A TYR 535.A N VAL 531.A O no hydrogen 3.018 N/A TYR 535.A OH ASP 509.A OD1 no hydrogen 2.929 N/A CYS 536.A N MET 533.A O no hydrogen 3.347 N/A CYS 536.A SG MET 533.A O no hydrogen 3.537 N/A GLY 537.A N PHE 569.A O no hydrogen 3.316 N/A SER 538.A N TYR 535.A O no hydrogen 2.949 N/A SER 538.A OG TYR 535.A O no hydrogen 3.110 N/A ASN 540.A N SER 538.A OG no hydrogen 3.298 N/A LYS 542.A NZ ASP 509.A OD2 no hydrogen 3.275 N/A ILE 544.A N ASN 540.A O no hydrogen 3.367 N/A ARG 545.A N ASN 541.A O no hydrogen 2.670 N/A ARG 546.A N LYS 542.A O no hydrogen 3.141 N/A LEU 547.A N ALA 543.A O no hydrogen 3.110 N/A LEU 548.A N ILE 544.A O no hydrogen 2.682 N/A HIS 549.A N ARG 545.A O no hydrogen 3.047 N/A VAL 550.A N ARG 546.A O no hydrogen 3.064 N/A ALA 551.A N LEU 547.A O no hydrogen 3.126 N/A SER 553.A N HIS 549.A O no hydrogen 2.822 N/A SER 553.A OG HIS 549.A O no hydrogen 2.955 N/A SER 553.A OG VAL 550.A O no hydrogen 3.368 N/A ASP 554.A N VAL 550.A O no hydrogen 2.718 N/A ASN 556.A N ASP 554.A OD1 no hydrogen 3.049 N/A ARG 560.A N ASN 556.A O no hydrogen 3.115 N/A ARG 560.A NH1 VAL 552.A O no hydrogen 3.115 N/A ARG 560.A NH1 ASP 554.A O no hydrogen 3.017 N/A ARG 561.A N ASP 557.A O no hydrogen 2.777 N/A ARG 561.A NH2 ASP 558.A OD1 no hydrogen 2.960 N/A ALA 562.A N ASP 558.A O no hydrogen 2.891 N/A ALA 563.A N VAL 559.A O no hydrogen 3.000 N/A VAL 564.A N ARG 560.A O no hydrogen 3.225 N/A GLU 565.A N ARG 561.A O no hydrogen 3.089 N/A SER 566.A N ALA 562.A O no hydrogen 2.935 N/A SER 566.A OG MET 528.A O no hydrogen 2.892 N/A SER 566.A OG ALA 562.A O no hydrogen 2.846 N/A LEU 567.A N ALA 563.A O no hydrogen 3.074 N/A GLY 568.A N VAL 564.A O no hydrogen 3.444 N/A PHE 569.A N GLU 565.A O no hydrogen 3.390 N/A ILE 570.A N SER 566.A O no hydrogen 3.189 N/A LEU 571.A N LEU 567.A O no hydrogen 3.267 N/A PHE 572.A N PHE 569.A O no hydrogen 3.505 N/A ARG 573.A NE GLN 694.A OE1 no hydrogen 3.067 N/A THR 574.A OG1 GLU 576.A OE1 no hydrogen 2.766 N/A THR 574.A OG1 GLU 576.A OE2 no hydrogen 3.108 N/A CYS 578.A N PRO 575.A O no hydrogen 3.213 N/A CYS 578.A SG LEU 601.A O no hydrogen 3.364 N/A SER 580.A OG GLN 577.A O no hydrogen 2.818 N/A SER 583.A N PRO 579.A O no hydrogen 2.919 N/A SER 586.A N VAL 582.A O no hydrogen 2.578 N/A SER 586.A OG SER 583.A O no hydrogen 2.712 N/A SER 588.A OG ASN 590.A O no hydrogen 3.208 N/A ASN 590.A ND2 ASP 557.A OD1 no hydrogen 3.115 N/A ARG 594.A N ASN 590.A O no hydrogen 3.367 N/A ARG 594.A NE ASP 623.A OD2 no hydrogen 3.452 N/A ARG 594.A NH1 SER 588.A O no hydrogen 2.760 N/A ARG 594.A NH1 TYR 589.A O no hydrogen 3.000 N/A ARG 594.A NH2 ASP 623.A OD2 no hydrogen 3.161 N/A TYR 595.A N PRO 591.A O no hydrogen 2.876 N/A GLY 596.A N HIS 592.A O no hydrogen 2.662 N/A ALA 597.A N VAL 593.A O no hydrogen 2.811 N/A ALA 598.A N ARG 594.A O no hydrogen 3.002 N/A MET 599.A N TYR 595.A O no hydrogen 3.006 N/A ALA 600.A N GLY 596.A O no hydrogen 2.688 N/A LEU 601.A N ALA 597.A O no hydrogen 2.771 N/A GLY 602.A N ALA 598.A O no hydrogen 3.155 N/A ILE 603.A N MET 599.A O no hydrogen 3.068 N/A CYS 604.A N ALA 600.A O no hydrogen 3.123 N/A CYS 604.A SG ALA 600.A O no hydrogen 2.800 N/A CYS 604.A SG LEU 601.A O no hydrogen 3.388 N/A CYS 605.A N LEU 601.A O no hydrogen 3.337 N/A CYS 605.A SG PRO 575.A O no hydrogen 3.824 N/A CYS 605.A SG LEU 601.A O no hydrogen 3.801 N/A ALA 606.A N GLY 602.A O no hydrogen 2.716 N/A THR 608.A OG1 CYS 605.A O no hydrogen 2.756 N/A ASN 610.A ND2 GLU 576.A O no hydrogen 3.100 N/A LYS 611.A NZ THR 647.A O no hydrogen 3.076 N/A GLU 612.A N ASN 610.A O no hydrogen 2.709 N/A ASN 615.A N LYS 611.A O no hydrogen 2.926 N/A LEU 616.A N GLU 612.A O no hydrogen 2.865 N/A LEU 617.A N ALA 613.A O no hydrogen 3.097 N/A GLU 618.A N ASN 615.A O no hydrogen 3.323 N/A THR 621.A N LEU 617.A O no hydrogen 3.061 N/A THR 621.A OG1 LEU 617.A O no hydrogen 3.171 N/A ASN 622.A N PRO 619.A O no hydrogen 2.920 N/A ASP 623.A N MET 620.A O no hydrogen 3.149 N/A VAL 625.A N ASP 623.A OD2 no hydrogen 3.036 N/A ASN 626.A ND2 ASP 668.A OD2 no hydrogen 3.338 N/A ARG 629.A N VAL 625.A O no hydrogen 3.054 N/A GLN 630.A N ASN 626.A O no hydrogen 2.795 N/A GLY 631.A N TYR 627.A O no hydrogen 3.361 N/A ALA 632.A N VAL 628.A O no hydrogen 3.036 N/A LEU 633.A N ARG 629.A O no hydrogen 3.127 N/A ILE 634.A N GLN 630.A O no hydrogen 3.359 N/A ALA 635.A N GLY 631.A O no hydrogen 2.909 N/A SER 636.A N ALA 632.A O no hydrogen 2.963 N/A SER 636.A OG TYR 658.A OH no hydrogen 3.259 N/A ALA 637.A N LEU 633.A O no hydrogen 3.216 N/A LEU 638.A N ILE 634.A O no hydrogen 3.138 N/A ILE 639.A N ALA 635.A O no hydrogen 3.308 N/A MET 640.A N SER 636.A O no hydrogen 2.787 N/A ILE 641.A N ALA 637.A O no hydrogen 3.060 N/A GLN 642.A NE2 THR 690.A OG1 no hydrogen 3.252 N/A THR 644.A N THR 647.A OG1 no hydrogen 2.920 N/A THR 647.A OG1 THR 644.A O no hydrogen 2.715 N/A CYS 648.A N THR 644.A O no hydrogen 3.078 N/A VAL 651.A N CYS 648.A O no hydrogen 3.346 N/A ASN 652.A N GLU 645.A OE1 no hydrogen 3.166 N/A PHE 654.A N LYS 650.A O no hydrogen 2.848 N/A ARG 655.A N VAL 651.A O no hydrogen 3.218 N/A GLN 656.A N ASN 652.A O no hydrogen 2.743 N/A GLN 656.A NE2 GLN 653.A OE1 no hydrogen 3.043 N/A LEU 657.A N GLN 653.A O no hydrogen 2.793 N/A TYR 658.A N PHE 654.A O no hydrogen 2.930 N/A TYR 658.A OH LEU 633.A O no hydrogen 2.725 N/A SER 659.A N ARG 655.A O no hydrogen 3.204 N/A SER 659.A OG ARG 655.A O no hydrogen 3.273 N/A LYS 660.A N GLN 656.A O no hydrogen 2.817 N/A VAL 661.A N LEU 657.A O no hydrogen 2.858 N/A ILE 662.A N TYR 658.A O no hydrogen 3.130 N/A ASN 663.A N SER 659.A O no hydrogen 2.815 N/A ASP 664.A N LYS 660.A O no hydrogen 2.823 N/A HIS 666.A N ASP 664.A OD1 no hydrogen 3.263 N/A LYS 672.A N ASP 668.A O no hydrogen 2.827 N/A LYS 672.A NZ VAL 661.A O no hydrogen 3.488 N/A LYS 672.A NZ ILE 662.A O no hydrogen 3.359 N/A LYS 672.A NZ ASP 664.A O no hydrogen 2.817 N/A PHE 673.A N VAL 669.A O no hydrogen 2.877 N/A ALA 675.A N LYS 672.A O no hydrogen 2.566 N/A ALA 678.A N GLY 674.A O no hydrogen 2.548 N/A GLN 679.A N ALA 675.A O no hydrogen 2.971 N/A GLY 680.A N ILE 676.A O no hydrogen 3.161 N/A ILE 681.A N LEU 677.A O no hydrogen 2.873 N/A LEU 682.A N ALA 678.A O no hydrogen 3.019 N/A ASP 683.A N GLN 679.A O no hydrogen 2.902 N/A ALA 684.A N ILE 681.A O no hydrogen 3.321 N/A GLY 685.A N PHE 320.A O no hydrogen 2.875 N/A GLY 686.A N MET 321.A O no hydrogen 3.186 N/A HIS 687.A N ASP 683.A O no hydrogen 3.258 N/A HIS 687.A N ALA 684.A O no hydrogen 2.876 N/A HIS 687.A ND1 ASN 292.A O no hydrogen 3.184 N/A ASN 688.A N GLY 685.A O no hydrogen 3.004 N/A ASN 688.A ND2 ASN 290.A O no hydrogen 2.873 N/A ASN 688.A ND2 ASN 290.A OD1 no hydrogen 3.313 N/A THR 690.A N THR 729.A O no hydrogen 2.772 N/A SER 692.A OG THR 729.A OG1 no hydrogen 2.902 N/A SER 695.A N HIS 699.A O no hydrogen 2.734 N/A SER 695.A OG GLU 248.A OE2 no hydrogen 3.405 N/A SER 695.A OG THR 697.A OG1 no hydrogen 3.106 N/A THR 697.A N SER 695.A OG no hydrogen 3.403 N/A THR 697.A OG1 SER 249.A OG no hydrogen 2.928 N/A THR 697.A OG1 SER 695.A OG no hydrogen 3.106 N/A GLY 698.A N SER 695.A O no hydrogen 2.824 N/A HIS 699.A N THR 697.A OG1 no hydrogen 3.316 N/A THR 700.A OG1 TYR 502.A OH no hydrogen 3.329 N/A HIS 701.A N LEU 693.A O no hydrogen 2.715 N/A VAL 705.A N HIS 701.A O no hydrogen 3.101 N/A VAL 706.A N MET 702.A O no hydrogen 3.188 N/A GLY 707.A N PRO 703.A O no hydrogen 2.907 N/A VAL 708.A N SER 704.A O no hydrogen 3.073 N/A LEU 709.A N VAL 705.A O no hydrogen 3.049 N/A VAL 710.A N VAL 706.A O no hydrogen 3.028 N/A PHE 711.A N GLY 707.A O no hydrogen 2.820 N/A THR 712.A N VAL 708.A O no hydrogen 3.056 N/A THR 712.A OG1 GLU 565.A OE1 no hydrogen 3.497 N/A THR 712.A OG1 LEU 709.A O no hydrogen 2.616 N/A GLN 713.A N LEU 709.A O no hydrogen 3.402 N/A GLN 713.A NE2 LEU 709.A O no hydrogen 3.193 N/A PHE 714.A N PHE 711.A O no hydrogen 2.924 N/A TRP 717.A N GLN 713.A O no hydrogen 2.694 N/A LEU 720.A N TRP 717.A O no hydrogen 3.170 N/A SER 721.A N PHE 718.A O no hydrogen 3.292 N/A SER 721.A OG PHE 718.A O no hydrogen 2.942 N/A HIS 722.A N PRO 719.A O no hydrogen 3.083 N/A HIS 722.A NE2 SER 352.A OG no hydrogen 2.988 N/A PHE 723.A N LEU 720.A O no hydrogen 3.012 N/A LEU 724.A N SER 721.A O no hydrogen 3.000 N/A SER 725.A N HIS 722.A O no hydrogen 2.985 N/A SER 725.A OG HIS 722.A O no hydrogen 2.760 N/A LEU 726.A N PHE 723.A O no hydrogen 3.329 N/A ALA 727.A N LEU 724.A O no hydrogen 3.004 N/A TYR 728.A N LEU 726.A O no hydrogen 3.025 N/A THR 729.A OG1 THR 690.A O no hydrogen 2.980 N/A THR 729.A OG1 SER 692.A OG no hydrogen 2.902 N/A THR 731.A N ASN 688.A O no hydrogen 3.351 N/A THR 731.A OG1 ASN 688.A O no hydrogen 3.110 N/A THR 731.A OG1 VAL 773.A O no hydrogen 3.241 N/A ILE 734.A N GLY 799.A O no hydrogen 3.135 N/A LYS 738.A NZ ASP 739.A OD1 no hydrogen 3.169 N/A LYS 741.A N LYS 738.A O no hydrogen 3.133 N/A GLN 746.A NE2 LYS 765.A O no hydrogen 2.997 N/A LYS 748.A N THR 782.A O no hydrogen 2.771 N/A SER 749.A OG GLN 777.A O no hydrogen 3.204 N/A ASN 750.A ND2 ALA 761.A O no hydrogen 3.133 N/A THR 755.A OG1 LYS 752.A O no hydrogen 2.922 N/A ALA 757.A N PRO 753.A O no hydrogen 2.897 N/A LYS 762.A NZ THR 760.A OG1 no hydrogen 2.847 N/A LYS 765.A NZ ASN 769.A O no hydrogen 3.340 N/A LYS 765.A NZ ALA 771.A O no hydrogen 3.487 N/A LYS 766.A N ASN 769.A OD1 no hydrogen 3.163 N/A LYS 768.A NZ VAL 733.A O no hydrogen 3.063 N/A VAL 773.A N THR 731.A OG1 no hydrogen 3.178 N/A MET 774.A N GLN 777.A OE1 no hydrogen 3.306 N/A GLN 777.A NE2 THR 755.A OG1 no hydrogen 2.998 N/A LEU 778.A N MET 774.A O no hydrogen 2.785 N/A LYS 779.A N PRO 775.A O no hydrogen 2.921 N/A VAL 780.A N ALA 776.A O no hydrogen 3.147 N/A LEU 781.A N LEU 778.A O no hydrogen 3.382 N/A THR 782.A N LYS 748.A O no hydrogen 2.667 N/A THR 782.A OG1 ASN 750.A OD1 no hydrogen 3.394 N/A CYS 787.A SG LYS 744.A O no hydrogen 3.694 N/A CYS 787.A SG GLN 746.A OE1 no hydrogen 3.603 N/A CYS 787.A SG TYR 789.A O no hydrogen 3.774 N/A ARG 788.A NH2 ASP 805.A OD2 no hydrogen 3.311 N/A GLN 790.A N LYS 804.A O no hydrogen 2.865 N/A LYS 793.A N ILE 802.A O no hydrogen 2.956 N/A ILE 801.A N ILE 734.A O no hydrogen 3.086 N/A LYS 804.A N GLN 790.A O no hydrogen 2.706 N/A THR 806.A N ARG 788.A O no hydrogen 3.217 N/A THR 806.A OG1 ARG 788.A O no hydrogen 3.227 N/A