Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fr3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG TYR 415.A OH no hydrogen 2.676 N/A GLN 4.A N SER 1.A O no hydrogen 3.284 N/A GLN 4.A NE2 PHE 417.A O no hydrogen 3.047 N/A GLY 5.A N GLN 4.A OE1 no hydrogen 3.153 N/A LEU 6.A N SER 25.A O no hydrogen 3.112 N/A LEU 7.A N SER 53.A O.A no hydrogen 2.903 N/A LEU 7.A N SER 53.A O.B no hydrogen 2.883 N/A GLY 8.A N THR 23.A O no hydrogen 2.745 N/A TYR 9.A N ILE 51.A O no hydrogen 2.738 N/A TYR 9.A OH GLY 164.A O no hydrogen 2.528 N/A TYR 10.A N VAL 21.A O no hydrogen 2.803 N/A TYR 10.A OH LEU 30.A O no hydrogen 2.489 N/A PHE 11.A N SER 49.A O no hydrogen 2.802 N/A SER 12.A N ALA 18.A O no hydrogen 3.278 N/A ASN 15.A N ASP 13.A OD2 no hydrogen 3.031 N/A PHE 16.A N SER 49.A OG no hydrogen 3.331 N/A GLN 17.A N ASP 13.A OD1 no hydrogen 3.106 N/A GLN 17.A N ASP 13.A OD2 no hydrogen 2.923 N/A GLN 17.A NE2 ASN 15.A O no hydrogen 3.259 N/A ALA 18.A N ASP 13.A OD1 no hydrogen 2.791 N/A MET 20.A N.A TYR 10.A O no hydrogen 2.671 N/A MET 20.A N.B TYR 10.A O no hydrogen 2.680 N/A VAL 21.A N TYR 10.A O no hydrogen 3.257 N/A VAL 22.A N LEU 185.A O no hydrogen 2.830 N/A THR 23.A N GLY 8.A O no hydrogen 3.035 N/A THR 23.A OG1 SER 24.A O no hydrogen 3.542 N/A THR 23.A OG1 THR 183.A O no hydrogen 3.158 N/A SER 25.A N LEU 6.A O no hydrogen 2.990 N/A GLY 28.A N ILE 133.A O no hydrogen 2.847 N/A ASP 29.A N THR 27.A OG1 no hydrogen 3.040 N/A LEU 30.A N PHE 119.A O no hydrogen 2.896 N/A SER 31.A N ASP 29.A OD1 no hydrogen 3.036 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.583 N/A SER 31.A OG PHE 119.A O no hydrogen 3.303 N/A ILE 32.A N LEU 117.A O no hydrogen 2.824 N/A GLU 36.A N PRO 33.A O no hydrogen 3.232 N/A LEU 37.A N SER 34.A O no hydrogen 3.216 N/A ILE 40.A N LEU 37.A O no hydrogen 3.012 N/A ASN 44.A N PRO 41.A O no hydrogen 2.607 N/A GLN 45.A N SER 42.A O no hydrogen 3.080 N/A GLN 45.A NE2 ILE 40.A O no hydrogen 3.117 N/A GLN 48.A N PHE 11.A O no hydrogen 3.046 N/A GLN 48.A NE2 SER 12.A O no hydrogen 2.956 N/A SER 49.A N PHE 11.A O no hydrogen 3.516 N/A SER 49.A OG ASP 13.A O no hydrogen 2.524 N/A ALA 50.A N TYR 107.A O no hydrogen 2.988 N/A ILE 51.A N TYR 9.A O no hydrogen 2.914 N/A TRP 52.A N ILE 105.A O no hydrogen 2.940 N/A TRP 52.A NE1 TYR 10.A OH no hydrogen 3.081 N/A SER 53.A N.A LEU 7.A O no hydrogen 2.880 N/A SER 53.A N.B LEU 7.A O no hydrogen 2.845 N/A GLY 54.A N ILE 103.A O no hydrogen 3.277 N/A PHE 55.A N GLN 139.A O no hydrogen 2.823 N/A ILE 56.A N TYR 101.A O no hydrogen 2.776 N/A LYS 57.A N ASN 137.A O no hydrogen 3.012 N/A LYS 57.A NZ ASP 136.A O no hydrogen 2.635 N/A SER 61.A OG GLU 96.A OE2 no hydrogen 2.595 N/A ASP 62.A N LEU 95.A O no hydrogen 3.298 N/A TYR 64.A N ILE 93.A O no hydrogen 2.815 N/A THR 65.A N THR 124.A O no hydrogen 3.153 N/A ALA 67.A N TYR 122.A O no hydrogen 3.231 N/A SER 69.A N LYS 120.A O no hydrogen 3.031 N/A HIS 73.A N ALA 70.A O no hydrogen 3.104 N/A VAL 74.A N ASP 71.A O no hydrogen 3.071 N/A THR 75.A N GLN 106.A O no hydrogen 3.202 N/A THR 75.A OG1 ASN 85.A OD1 no hydrogen 3.245 N/A MET 76.A N ILE 84.A O no hydrogen 2.818 N/A TRP 77.A N LYS 104.A O no hydrogen 2.857 N/A VAL 78.A N GLN 81.A O no hydrogen 2.942 N/A ASP 79.A N GLN 102.A O no hydrogen 2.811 N/A GLN 81.A N VAL 78.A O no hydrogen 3.247 N/A VAL 83.A N MET 76.A O no hydrogen 2.686 N/A ILE 84.A N MET 76.A O no hydrogen 3.358 N/A ASN 85.A ND2 GLU 82.A OE1 no hydrogen 3.531 N/A LYS 86.A N VAL 74.A O no hydrogen 2.816 N/A ASN 89.A ND2 ASN 91.A OD1 no hydrogen 3.018 N/A ILE 93.A N TYR 64.A O no hydrogen 2.815 N/A ARG 94.A NE GLU 96.A OE2 no hydrogen 3.561 N/A LEU 95.A N ASP 62.A O no hydrogen 2.932 N/A GLU 96.A N TYR 101.A OH no hydrogen 2.655 N/A LYS 97.A N SER 61.A OG no hydrogen 2.794 N/A LYS 97.A NZ LYS 59.A O no hydrogen 2.975 N/A TYR 101.A N ILE 56.A O no hydrogen 2.924 N/A GLN 102.A N ASP 79.A OD1 no hydrogen 2.914 N/A ILE 103.A N GLY 54.A O no hydrogen 2.813 N/A LYS 104.A N TRP 77.A O no hydrogen 3.000 N/A LYS 104.A NZ PRO 155.A O no hydrogen 2.263 N/A ILE 105.A N TRP 52.A O no hydrogen 3.028 N/A GLN 106.A N THR 75.A O no hydrogen 2.878 N/A TYR 107.A N ALA 50.A O no hydrogen 2.871 N/A GLN 108.A N HIS 73.A O no hydrogen 3.120 N/A GLN 108.A NE2 LEU 14.A O no hydrogen 2.755 N/A ARG 109.A N GLN 48.A O no hydrogen 2.866 N/A ARG 109.A NE TYR 107.A OH no hydrogen 3.033 N/A ASN 111.A N GLN 48.A OE1 no hydrogen 2.835 N/A LYS 115.A NZ TYR 46.A OH no hydrogen 2.469 N/A GLY 116.A N GLN 45.A O no hydrogen 2.715 N/A LEU 117.A N ILE 32.A O no hydrogen 2.938 N/A PHE 119.A N SER 31.A OG no hydrogen 3.043 N/A LYS 120.A N SER 69.A OG no hydrogen 2.923 N/A LEU 121.A N GLY 28.A O no hydrogen 2.678 N/A TYR 122.A N ALA 67.A O no hydrogen 2.667 N/A TRP 123.A N GLU 131.A O no hydrogen 3.072 N/A THR 124.A N THR 65.A O no hydrogen 2.979 N/A ASP 125.A N LYS 129.A O no hydrogen 3.200 N/A SER 126.A N ASP 62.A OD2 no hydrogen 2.936 N/A SER 126.A OG ASP 62.A OD1 no hydrogen 2.858 N/A SER 126.A OG ASP 62.A OD2 no hydrogen 2.687 N/A GLN 127.A N ASP 125.A OD1 no hydrogen 3.097 N/A LYS 129.A N ASP 125.A OD1 no hydrogen 2.468 N/A GLU 131.A N TRP 123.A O no hydrogen 3.091 N/A ILE 133.A N LEU 121.A O no hydrogen 3.139 N/A SER 134.A OG ASN 137.A OD1 no hydrogen 3.017 N/A ASP 136.A N SER 134.A OG no hydrogen 3.023 N/A ASN 137.A N SER 134.A O no hydrogen 3.174 N/A ASN 137.A ND2 LYS 57.A O no hydrogen 2.935 N/A GLN 139.A N PHE 55.A O no hydrogen 3.048 N/A LEU 140.A N GLN 4.A OE1 no hydrogen 2.851 N/A LYS 144.A NZ GLU 219.A OE2 no hydrogen 2.782 N/A LYS 144.A NZ TYR 415.A O no hydrogen 2.806 N/A SER 150.A N SER 147.A O no hydrogen 3.103 N/A ARG 160.A N ASP 167.A OD1 no hydrogen 2.933 N/A ARG 160.A NE GLU 206.A OE1 no hydrogen 3.323 N/A ASN 162.A N ASP 159.A O no hydrogen 3.010 N/A ASN 162.A ND2 GLU 142.A O no hydrogen 3.068 N/A ASN 162.A ND2 LYS 144.A O no hydrogen 2.931 N/A ASP 163.A N ASP 161.A OD1 no hydrogen 3.286 N/A GLY 164.A N ASP 159.A OD2 no hydrogen 2.754 N/A ILE 165.A N ASP 163.A OD1 no hydrogen 2.948 N/A ASP 167.A N PRO 158.A O no hydrogen 2.874 N/A GLU 170.A N PRO 166.A O no hydrogen 3.286 N/A VAL 171.A N ASP 167.A O no hydrogen 3.189 N/A GLU 172.A N SER 168.A O no hydrogen 2.933 N/A GLY 173.A N LEU 169.A O no hydrogen 2.800 N/A TYR 174.A N TYR 201.A O no hydrogen 2.805 N/A TYR 174.A OH SER 203.A OG no hydrogen 2.937 N/A THR 175.A N SER 186.A O no hydrogen 2.833 N/A THR 175.A OG1 VAL 176.A O no hydrogen 3.519 N/A THR 175.A OG1 THR 199.A O no hydrogen 2.763 N/A ASP 177.A N PHE 184.A O no hydrogen 3.064 N/A LYS 179.A N ARG 182.A O no hydrogen 2.782 N/A LYS 179.A NZ ASP 177.A OD2 no hydrogen 3.426 N/A ARG 182.A N LYS 179.A O no hydrogen 3.093 N/A ARG 182.A NH2 SER 31.A O no hydrogen 2.745 N/A ARG 182.A NH2 GLU 36.A OE2 no hydrogen 2.790 N/A PHE 184.A N ASP 177.A O no hydrogen 2.931 N/A LEU 185.A N VAL 22.A O no hydrogen 3.014 N/A SER 186.A N THR 175.A O no hydrogen 2.901 N/A SER 186.A OG MET 20.A O.A no hydrogen 2.868 N/A SER 186.A OG MET 20.A O.B no hydrogen 2.835 N/A TRP 188.A N GLY 173.A O no hydrogen 2.947 N/A ILE 189.A N HIS 193.A ND1 no hydrogen 2.972 N/A ILE 192.A N ILE 189.A O no hydrogen 3.035 N/A HIS 193.A N ILE 189.A O no hydrogen 2.973 N/A HIS 193.A NE2 ASN 39.A O no hydrogen 2.843 N/A LYS 196.A N HIS 193.A O no hydrogen 3.190 N/A LYS 196.A NZ GLU 38.A O no hydrogen 3.525 N/A GLY 197.A N GLU 194.A O no hydrogen 3.087 N/A LEU 198.A N HIS 193.A O no hydrogen 3.233 N/A TYR 201.A N TYR 174.A O no hydrogen 2.723 N/A SER 203.A N GLU 170.A O no hydrogen 3.010 N/A SER 203.A OG GLU 170.A OE1 no hydrogen 2.419 N/A SER 203.A OG TYR 174.A OH no hydrogen 2.937 N/A SER 204.A N THR 210.A OG1 no hydrogen 2.930 N/A SER 204.A OG THR 470.A OG1 no hydrogen 2.880 N/A GLU 206.A N SER 204.A OG no hydrogen 3.135 N/A LYS 207.A N SER 204.A O no hydrogen 3.414 N/A LYS 207.A NZ SER 212.A OG no hydrogen 2.788 N/A LYS 207.A NZ GLU 468.A OE2 no hydrogen 3.163 N/A TRP 208.A NE1 LEU 143.A O no hydrogen 2.901 N/A SER 209.A OG ASP 213.A O no hydrogen 3.169 N/A SER 209.A OG ASP 213.A OD1 no hydrogen 2.710 N/A SER 209.A OG TYR 215.A O no hydrogen 3.092 N/A THR 210.A N ASP 217.A OD1 no hydrogen 2.893 N/A THR 210.A OG1 ASP 217.A OD1 no hydrogen 3.253 N/A THR 210.A OG1 ASP 217.A OD2 no hydrogen 2.707 N/A SER 212.A N SER 209.A O no hydrogen 2.846 N/A SER 212.A OG THR 440.A OG1 no hydrogen 3.023 N/A ASP 213.A N SER 209.A OG no hydrogen 3.010 N/A TYR 215.A N ASP 213.A OD1 no hydrogen 3.080 N/A SER 216.A N GLU 219.A OE1 no hydrogen 3.037 N/A ASP 217.A N TRP 208.A O no hydrogen 2.950 N/A GLU 219.A N SER 216.A OG no hydrogen 2.760 N/A LYS 220.A N SER 216.A O no hydrogen 2.921 N/A LYS 220.A NZ ASP 213.A OD2 no hydrogen 2.558 N/A LYS 220.A NZ ALA 233.A O no hydrogen 3.404 N/A LYS 220.A NZ VAL 238.A O no hydrogen 2.821 N/A VAL 221.A N ASP 217.A O no hydrogen 3.323 N/A THR 222.A N PHE 218.A O no hydrogen 3.091 N/A THR 222.A OG1 PHE 218.A O no hydrogen 2.720 N/A ARG 224.A NE TYR 415.A OH no hydrogen 3.372 N/A ARG 224.A NH1 THR 222.A OG1 no hydrogen 3.089 N/A ARG 224.A NH2 SER 3.A O no hydrogen 2.834 N/A ARG 224.A NH2 SER 24.A OG no hydrogen 2.813 N/A ASN 228.A N ASP 226.A OD1 no hydrogen 2.952 N/A VAL 229.A N ASP 226.A O no hydrogen 3.164 N/A SER 230.A N THR 324.A O no hydrogen 3.071 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.808 N/A ALA 233.A N SER 230.A O no hydrogen 2.970 N/A ARG 234.A N PRO 231.A O no hydrogen 3.108 N/A ARG 234.A NE VAL 229.A O no hydrogen 3.076 N/A ARG 234.A NH2 VAL 229.A O no hydrogen 2.728 N/A HIS 235.A N GLU 232.A O no hydrogen 3.282 N/A LEU 237.A N HIS 235.A ND1 no hydrogen 3.018 N/A VAL 238.A N HIS 235.A O no hydrogen 2.988 N/A ALA 239.A N ARG 457.A O no hydrogen 2.937 N/A ALA 240.A N ASP 213.A OD2 no hydrogen 2.831 N/A TYR 241.A N THR 324.A OG1 no hydrogen 2.984 N/A TYR 241.A OH GLU 455.A OE2 no hydrogen 2.534 N/A ILE 243.A N ASN 321.A OD1 no hydrogen 3.216 N/A HIS 245.A N VAL 320.A O no hydrogen 3.001 N/A ASP 247.A N ARG 318.A O no hydrogen 2.871 N/A MET 248.A N THR 267.A OG1 no hydrogen 2.932 N/A GLU 249.A N ASN 316.A O no hydrogen 2.850 N/A ILE 251.A N LYS 263.A O no hydrogen 2.892 N/A ILE 252.A N ASN 314.A O no hydrogen 2.888 N/A LEU 253.A N ILE 261.A O no hydrogen 2.784 N/A SER 254.A N ARG 312.A O no hydrogen 2.989 N/A LYS 255.A NZ GLY 304.A O no hydrogen 3.063 N/A LYS 255.A NZ ASP 309.A OD2 no hydrogen 3.223 N/A ASN 256.A N THR 310.A O no hydrogen 2.852 N/A ASN 256.A ND2 THR 310.A OG1 no hydrogen 3.271 N/A ILE 261.A N LEU 253.A O no hydrogen 2.838 N/A LYS 263.A N ILE 251.A O no hydrogen 3.006 N/A LYS 263.A NZ SER 293.A O no hydrogen 3.141 N/A LYS 263.A NZ SER 295.A OG no hydrogen 2.617 N/A THR 265.A N GLU 249.A O no hydrogen 2.953 N/A THR 265.A OG1 MET 248.A O no hydrogen 2.683 N/A SER 266.A N ALA 289.A O no hydrogen 2.917 N/A THR 267.A OG1 MET 248.A O no hydrogen 2.827 N/A SER 268.A N THR 287.A O no hydrogen 3.096 N/A ARG 269.A NH1 ASN 284.A OD1 no hydrogen 3.375 N/A THR 270.A N SER 285.A O no hydrogen 3.059 N/A THR 270.A OG1 SER 285.A O no hydrogen 3.366 N/A HIS 271.A N ASN 554.A O no hydrogen 3.146 N/A THR 272.A OG1 ASN 554.A OD1 no hydrogen 2.840 N/A SER 273.A N ARG 553.A O no hydrogen 3.309 N/A GLU 274.A N SER 277.A O no hydrogen 2.516 N/A SER 277.A N GLU 274.A O no hydrogen 3.354 N/A ALA 278.A N ASN 506.A OD1.A no hydrogen 2.941 N/A ALA 278.A N ASN 506.A OD1.B no hydrogen 2.941 N/A ALA 278.A N PHE 507.A O no hydrogen 3.278 N/A GLY 279.A N HIS 271.A NE2 no hydrogen 3.036 N/A SER 281.A OG SER 283.A OG no hydrogen 3.139 N/A SER 283.A N SER 281.A OG no hydrogen 3.261 N/A SER 283.A OG SER 281.A OG no hydrogen 3.139 N/A ASN 284.A ND2 ASP 406.A O no hydrogen 3.145 N/A ASN 284.A ND2 TYR 409.A OH no hydrogen 2.805 N/A SER 285.A OG LEU 403.A O no hydrogen 3.548 N/A SER 285.A OG ASP 404.A OD1 no hydrogen 2.886 N/A SER 286.A N LEU 403.A O no hydrogen 2.936 N/A SER 286.A OG VAL 246.A O no hydrogen 2.744 N/A THR 287.A N SER 268.A O no hydrogen 2.944 N/A VAL 288.A N LEU 401.A O no hydrogen 2.745 N/A ALA 289.A N SER 266.A O no hydrogen 2.802 N/A ILE 290.A N LYS 399.A O no hydrogen 2.869 N/A ASP 291.A N ASN 264.A O no hydrogen 3.107 N/A HIS 292.A NE2 TYR 613.A O no hydrogen 2.894 N/A SER 293.A N ASP 291.A OD1 no hydrogen 2.953 N/A SER 293.A OG ASP 291.A OD1 no hydrogen 2.826 N/A LEU 294.A N ASP 614.A O no hydrogen 2.897 N/A THR 298.A N GLU 301.A OE1 no hydrogen 3.304 N/A THR 298.A OG1 GLU 301.A OE1 no hydrogen 3.198 N/A TRP 299.A N GLU 396.A OE2 no hydrogen 2.829 N/A ALA 300.A N GLU 396.A OE1 no hydrogen 3.320 N/A GLU 301.A N THR 298.A OG1 no hydrogen 3.176 N/A THR 302.A N THR 298.A O no hydrogen 2.980 N/A THR 302.A OG1 THR 298.A O no hydrogen 3.082 N/A MET 303.A N TRP 299.A O no hydrogen 2.849 N/A GLY 304.A N GLU 301.A O no hydrogen 2.949 N/A LEU 305.A N ALA 300.A O no hydrogen 2.670 N/A ASN 306.A N ASP 309.A OD2 no hydrogen 2.854 N/A ASP 309.A N ASN 306.A O no hydrogen 2.854 N/A ALA 311.A N MET 387.A O no hydrogen 2.799 N/A ARG 312.A N SER 254.A O no hydrogen 2.747 N/A LEU 313.A N ILE 385.A O no hydrogen 2.840 N/A ASN 314.A N ILE 252.A O no hydrogen 3.031 N/A ASN 314.A ND2 ASN 375.A O no hydrogen 3.345 N/A ALA 315.A N ASN 314.A OD1 no hydrogen 2.849 N/A ASN 316.A N ASN 250.A O no hydrogen 3.209 N/A ASN 316.A ND2 ASN 250.A OD1 no hydrogen 2.977 N/A ILE 317.A N ILE 372.A O no hydrogen 2.770 N/A ARG 318.A N ASP 247.A O no hydrogen 2.932 N/A ARG 318.A NE GLU 249.A OE2 no hydrogen 2.637 N/A ARG 318.A NH1 PRO 365.A O no hydrogen 3.016 N/A ARG 318.A NH1 LEU 369.A O no hydrogen 3.012 N/A ARG 318.A NH2 LEU 369.A O no hydrogen 2.762 N/A TYR 319.A N TYR 364.A O no hydrogen 2.622 N/A VAL 320.A N HIS 245.A O no hydrogen 2.846 N/A ASN 321.A N ASN 362.A O no hydrogen 3.089 N/A ASN 321.A ND2 ALA 325.A O no hydrogen 2.908 N/A ASN 321.A ND2 LEU 358.A O no hydrogen 3.181 N/A THR 322.A N ILE 243.A O no hydrogen 2.815 N/A GLY 323.A N ASN 321.A OD1 no hydrogen 2.914 N/A THR 324.A N TYR 241.A O no hydrogen 2.760 N/A THR 324.A OG1 ALA 239.A O no hydrogen 2.788 N/A THR 324.A OG1 TYR 241.A O no hydrogen 3.281 N/A ILE 327.A N.A LEU 358.A O no hydrogen 3.062 N/A ILE 327.A N.B LEU 358.A O no hydrogen 3.088 N/A TYR 328.A OH ASP 226.A OD2 no hydrogen 2.492 N/A TYR 328.A OH ASN 228.A OD1 no hydrogen 3.334 N/A ASN 329.A ND2 ASN 352.A OD1 no hydrogen 3.657 N/A ASN 329.A ND2 ASN 411.A OD1 no hydrogen 3.028 N/A THR 333.A N ASP 406.A OD1 no hydrogen 3.064 N/A THR 334.A N ILE 347.A O no hydrogen 3.042 N/A THR 334.A OG1 THR 405.A OG1 no hydrogen 2.903 N/A SER 335.A N ASP 404.A O no hydrogen 2.790 N/A LEU 336.A N ALA 345.A O no hydrogen 2.927 N/A VAL 337.A N ARG 402.A O no hydrogen 2.723 N/A LEU 338.A N GLN 342.A O no hydrogen 2.679 N/A GLN 342.A N LEU 338.A O no hydrogen 3.045 N/A GLN 342.A NE2 GLU 394.A OE1 no hydrogen 2.942 N/A LEU 344.A N LEU 336.A O no hydrogen 2.788 N/A ILE 347.A N THR 334.A O no hydrogen 2.703 N/A LYS 348.A NZ THR 333.A OG1 no hydrogen 2.754 N/A ASN 352.A N ASN 329.A O no hydrogen 2.623 N/A GLN 353.A N LYS 350.A O no hydrogen 3.350 N/A SER 355.A N TYR 364.A OH no hydrogen 2.803 N/A SER 355.A OG TYR 364.A OH no hydrogen 3.162 N/A GLN 356.A NE2 ILE 357.A O no hydrogen 2.855 N/A GLN 356.A NE2 TYR 363.A O no hydrogen 3.362 N/A GLN 356.A NE2 SER 366.A OG.B no hydrogen 3.102 N/A LEU 358.A N ILE 327.A O.A no hydrogen 3.097 N/A LEU 358.A N ILE 327.A O.B no hydrogen 3.134 N/A ASN 361.A N ASN 321.A O no hydrogen 2.790 N/A TYR 363.A N ASN 362.A OD1 no hydrogen 2.868 N/A TYR 364.A N TYR 319.A O no hydrogen 2.751 N/A SER 366.A N.A GLN 356.A OE1 no hydrogen 2.844 N/A SER 366.A N.B GLN 356.A OE1 no hydrogen 2.838 N/A SER 366.A OG.A ASN 368.A OD1 no hydrogen 2.546 N/A SER 366.A OG.B GLN 356.A OE1 no hydrogen 3.288 N/A LEU 369.A N SER 366.A O.A no hydrogen 2.803 N/A LEU 369.A N SER 366.A O.B no hydrogen 2.843 N/A ILE 372.A N ILE 317.A O no hydrogen 2.904 N/A LEU 374.A N ALA 315.A O no hydrogen 2.941 N/A ASN 375.A N ASN 314.A OD1 no hydrogen 3.068 N/A ASN 375.A ND2 LEU 374.A O no hydrogen 3.042 N/A ASN 375.A ND2 THR 383.A O no hydrogen 3.259 N/A ASP 379.A N ALA 376.A O no hydrogen 3.275 N/A PHE 380.A N ASP 378.A O no hydrogen 2.899 N/A SER 382.A N ASP 379.A O no hydrogen 3.137 N/A SER 382.A OG ASP 379.A O no hydrogen 2.757 N/A MET 387.A N ALA 311.A O no hydrogen 2.862 N/A ASN 388.A N GLN 391.A OE1 no hydrogen 2.889 N/A GLN 391.A N ASN 388.A OD1 no hydrogen 2.723 N/A GLN 391.A NE2 GLN 342.A OE1 no hydrogen 3.264 N/A PHE 392.A N ASN 388.A O no hydrogen 2.992 N/A LEU 393.A N TYR 389.A O no hydrogen 2.972 N/A GLU 394.A N ASN 390.A O no hydrogen 3.038 N/A LEU 395.A N GLN 391.A O no hydrogen 3.025 N/A GLU 396.A N PHE 392.A O no hydrogen 2.923 N/A LYS 397.A N LEU 393.A O no hydrogen 2.933 N/A THR 398.A N GLU 394.A O no hydrogen 3.083 N/A THR 398.A OG1 GLU 394.A O no hydrogen 3.319 N/A LYS 399.A N LEU 395.A O no hydrogen 2.630 N/A LYS 399.A NZ GLU 396.A O no hydrogen 2.912 N/A LYS 399.A NZ ILE 661.A O no hydrogen 2.671 N/A GLN 400.A N THR 398.A OG1 no hydrogen 3.280 N/A LEU 401.A N VAL 288.A O no hydrogen 3.059 N/A ARG 402.A N VAL 337.A O no hydrogen 2.963 N/A ARG 402.A NE ASP 404.A OD1 no hydrogen 2.917 N/A ARG 402.A NE ASP 404.A OD2 no hydrogen 3.271 N/A ARG 402.A NH1 GLY 339.A O no hydrogen 3.176 N/A ARG 402.A NH1 LYS 340.A O no hydrogen 3.212 N/A ARG 402.A NH2 LYS 340.A O no hydrogen 2.965 N/A ARG 402.A NH2 ASP 404.A OD2 no hydrogen 3.031 N/A LEU 403.A N SER 286.A O no hydrogen 2.828 N/A ASP 404.A N SER 335.A O no hydrogen 2.995 N/A THR 405.A N ASN 284.A O no hydrogen 2.941 N/A THR 405.A OG1 THR 334.A OG1 no hydrogen 2.903 N/A ASP 406.A N THR 333.A O no hydrogen 2.935 N/A VAL 408.A N ASP 406.A OD1 no hydrogen 3.167 N/A ASN 411.A N ASN 329.A OD1 no hydrogen 2.930 N/A ASN 411.A ND2 SER 428.A O no hydrogen 2.465 N/A THR 414.A N ARG 423.A O no hydrogen 2.828 N/A TYR 415.A OH SER 3.A OG no hydrogen 2.676 N/A ASN 416.A N ARG 421.A O no hydrogen 2.687 N/A GLU 418.A N ASN 416.A OD1 no hydrogen 3.131 N/A ASN 419.A N ASN 416.A O no hydrogen 3.293 N/A GLY 420.A N ASN 416.A O no hydrogen 2.715 N/A ARG 421.A N ASN 416.A O no hydrogen 3.338 N/A ARG 423.A N THR 414.A O no hydrogen 3.012 N/A ASP 425.A N ILE 412.A O no hydrogen 2.806 N/A GLY 427.A N ASP 425.A OD1 no hydrogen 2.858 N/A SER 428.A N ASP 425.A O no hydrogen 3.209 N/A SER 428.A OG ASP 425.A OD2 no hydrogen 2.853 N/A ASN 429.A N GLU 432.A OE1 no hydrogen 3.440 N/A TRP 430.A N GLY 410.A O no hydrogen 3.038 N/A SER 431.A N ASN 429.A OD1 no hydrogen 2.918 N/A SER 431.A OG ASN 429.A OD1 no hydrogen 3.334 N/A GLU 432.A N ASN 429.A O no hydrogen 2.723 N/A VAL 433.A N TRP 430.A O no hydrogen 2.988 N/A LEU 434.A N TRP 430.A O no hydrogen 2.925 N/A ILE 437.A N VAL 433.A O no hydrogen 3.191 N/A GLN 438.A N LEU 434.A O no hydrogen 2.905 N/A GLN 438.A NE2 GLN 407.A OE1 no hydrogen 3.306 N/A GLU 439.A N PRO 435.A O no hydrogen 2.911 N/A GLU 439.A N GLN 436.A O no hydrogen 3.250 N/A THR 440.A N ILE 437.A O no hydrogen 3.364 N/A THR 440.A OG1 SER 212.A OG no hydrogen 3.023 N/A THR 440.A OG1 GLN 436.A O no hydrogen 2.745 N/A THR 441.A OG1 ILE 437.A O no hydrogen 2.454 N/A ALA 442.A N ILE 458.A O no hydrogen 2.813 N/A ARG 443.A N MET 540.A O no hydrogen 2.862 N/A ARG 443.A NE ASN 541.A OD1 no hydrogen 2.764 N/A ARG 443.A NH1 SER 281.A O no hydrogen 3.040 N/A ARG 443.A NH1 GLU 455.A OE1 no hydrogen 3.209 N/A ARG 443.A NH2 SER 281.A O no hydrogen 2.795 N/A ARG 443.A NH2 ASN 541.A OD1 no hydrogen 2.851 N/A ILE 444.A N ARG 456.A O no hydrogen 2.965 N/A ILE 445.A N ILE 542.A O no hydrogen 2.742 N/A PHE 446.A N VAL 454.A O no hydrogen 2.897 N/A ASN 447.A N ILE 544.A O no hydrogen 3.205 N/A ASN 447.A ND2 TYR 551.A OH no hydrogen 2.995 N/A LEU 451.A N ASN 447.A O no hydrogen 2.838 N/A ASN 452.A N ASP 450.A OD1 no hydrogen 2.980 N/A VAL 454.A N PHE 446.A O no hydrogen 3.093 N/A ARG 456.A N ILE 444.A O no hydrogen 2.950 N/A ARG 456.A NE GLU 232.A OE2 no hydrogen 2.940 N/A ARG 456.A NH1 THR 322.A O no hydrogen 2.969 N/A ARG 456.A NH1 GLU 455.A O no hydrogen 2.902 N/A ARG 456.A NH2 GLU 232.A OE2 no hydrogen 2.848 N/A ARG 457.A NH1 THR 441.A OG1 no hydrogen 2.924 N/A ARG 457.A NH2 ASN 282.A OD1 no hydrogen 2.596 N/A ILE 458.A N ALA 442.A O no hydrogen 2.869 N/A ALA 459.A N LEU 237.A O no hydrogen 2.700 N/A ALA 460.A N THR 440.A O no hydrogen 3.509 N/A ASN 462.A N GLU 468.A O no hydrogen 3.067 N/A SER 464.A N ASN 462.A OD1 no hydrogen 2.766 N/A ASP 465.A N ASN 462.A O no hydrogen 2.903 N/A GLU 468.A N ASP 465.A OD1 no hydrogen 3.338 N/A THR 469.A N PRO 466.A O no hydrogen 3.247 N/A THR 469.A OG1 PRO 466.A O no hydrogen 2.269 N/A THR 470.A N LEU 467.A O no hydrogen 3.139 N/A THR 470.A OG1 SER 204.A OG no hydrogen 2.880 N/A THR 470.A OG1 LEU 467.A O no hydrogen 2.507 N/A LYS 471.A NZ THR 440.A O no hydrogen 2.548 N/A LYS 471.A NZ ALA 460.A O no hydrogen 2.949 N/A LYS 471.A NZ GLU 468.A OE1 no hydrogen 2.524 N/A LEU 476.A N ILE 534.A O no hydrogen 2.949 N/A LYS 477.A N LEU 531.A O no hydrogen 3.085 N/A LYS 477.A NZ GLU 488.A OE1 no hydrogen 2.683 N/A LYS 477.A NZ GLU 488.A OE2 no hydrogen 3.395 N/A GLU 478.A N THR 475.A OG1 no hydrogen 3.029 N/A ALA 479.A N THR 475.A O no hydrogen 3.045 N/A LEU 480.A N LEU 476.A O no hydrogen 3.129 N/A LYS 481.A N LYS 477.A O no hydrogen 3.163 N/A LYS 481.A NZ GLU 488.A OE2 no hydrogen 2.982 N/A ILE 482.A N GLU 478.A O no hydrogen 2.944 N/A ALA 483.A N ALA 479.A O no hydrogen 2.832 N/A PHE 484.A N LEU 480.A O no hydrogen 3.042 N/A GLY 485.A N LYS 481.A O no hydrogen 3.048 N/A PHE 486.A N LEU 480.A O no hydrogen 3.252 N/A ASN 487.A N GLN 494.A O no hydrogen 2.849 N/A GLY 491.A N GLU 488.A O no hydrogen 2.998 N/A GLN 494.A N ASN 487.A O no hydrogen 2.719 N/A TYR 495.A N LYS 498.A O no hydrogen 2.894 N/A LYS 498.A N TYR 495.A O no hydrogen 3.053 N/A LYS 498.A NZ ASP 546.A OD2 no hydrogen 3.339 N/A ILE 500.A N LEU 493.A O no hydrogen 3.111 N/A THR 501.A N ASP 499.A OD2 no hydrogen 2.931 N/A THR 501.A OG1 ASP 499.A OD2 no hydrogen 2.576 N/A GLU 502.A N ASP 499.A O no hydrogen 3.021 N/A PHE 503.A N ILE 500.A O no hydrogen 2.937 N/A ASP 504.A N ARG 545.A O no hydrogen 2.836 N/A ASN 506.A N.A LEU 543.A O no hydrogen 2.821 N/A ASN 506.A N.B LEU 543.A O no hydrogen 2.821 N/A ASN 506.A ND2.A VAL 276.A O no hydrogen 2.897 N/A ASN 506.A ND2.B VAL 276.A O no hydrogen 2.897 N/A ASP 508.A N ASN 541.A O no hydrogen 3.376 N/A THR 511.A N ASP 508.A OD1 no hydrogen 2.701 N/A THR 511.A OG1 ASP 508.A OD1 no hydrogen 3.062 N/A THR 511.A OG1 ASP 508.A OD2 no hydrogen 2.481 N/A LEU 512.A N ASP 508.A O no hydrogen 2.824 N/A GLN 513.A N GLN 509.A O no hydrogen 3.412 N/A GLN 513.A NE2 GLN 513.A O no hydrogen 3.099 N/A GLN 513.A NE2 ASN 517.A OD1 no hydrogen 2.969 N/A ASN 514.A N GLN 510.A O no hydrogen 3.260 N/A ILE 515.A N THR 511.A O no hydrogen 2.858 N/A LYS 516.A N LEU 512.A O no hydrogen 2.899 N/A ASN 517.A N GLN 513.A O no hydrogen 3.066 N/A GLN 518.A N ASN 514.A O no hydrogen 3.033 N/A GLN 518.A NE2 ASN 514.A OD1 no hydrogen 2.730 N/A GLN 518.A NE2 LYS 535.A O no hydrogen 2.894 N/A LEU 519.A N ILE 515.A O no hydrogen 2.844 N/A ALA 520.A N LYS 516.A O no hydrogen 2.971 N/A GLU 521.A N ASN 517.A O no hydrogen 3.101 N/A LEU 522.A N GLN 518.A O no hydrogen 3.004 N/A LEU 522.A N LEU 519.A O no hydrogen 3.102 N/A ASN 523.A N ALA 520.A O no hydrogen 3.146 N/A ALA 524.A N LEU 519.A O no hydrogen 2.911 N/A TYR 528.A N ASN 526.A OD1 no hydrogen 2.869 N/A TYR 528.A OH PHE 503.A O no hydrogen 2.558 N/A VAL 530.A N ILE 527.A O no hydrogen 3.305 N/A LYS 533.A N VAL 530.A O no hydrogen 2.921 N/A ILE 534.A N VAL 530.A O no hydrogen 3.016 N/A LYS 535.A N GLN 518.A OE1 no hydrogen 2.793 N/A LEU 536.A N MET 474.A O no hydrogen 2.882 N/A ALA 538.A N VAL 461.A O no hydrogen 2.843 N/A LYS 539.A N THR 441.A O no hydrogen 2.719 N/A LYS 539.A NZ GLU 439.A OE2 no hydrogen 2.629 N/A MET 540.A N ASN 537.A O no hydrogen 3.316 N/A ASN 541.A N ASP 508.A OD2 no hydrogen 2.999 N/A ASN 541.A N THR 511.A OG1 no hydrogen 3.218 N/A ASN 541.A ND2 ASP 508.A OD2 no hydrogen 3.186 N/A ILE 542.A N ARG 443.A O no hydrogen 2.842 N/A LEU 543.A N ASN 506.A O.A no hydrogen 2.667 N/A LEU 543.A N ASN 506.A O.B no hydrogen 2.667 N/A ILE 544.A N ILE 445.A O no hydrogen 2.705 N/A ARG 545.A N ASP 504.A O no hydrogen 3.246 N/A ARG 545.A NH2 ASP 504.A OD2 no hydrogen 3.441 N/A ASP 546.A N ASN 447.A OD1 no hydrogen 2.944 N/A LYS 547.A N GLU 502.A O no hydrogen 2.929 N/A LYS 547.A NZ THR 501.A O no hydrogen 2.588 N/A LYS 547.A NZ TYR 528.A OH no hydrogen 2.855 N/A ARG 548.A N.A ASP 546.A OD1 no hydrogen 2.898 N/A ARG 548.A N.B ASP 546.A OD1 no hydrogen 2.898 N/A ARG 548.A NH1.A ASP 587.A OD2 no hydrogen 3.456 N/A ARG 548.A NH1.B ASP 587.A OD2 no hydrogen 3.456 N/A PHE 549.A N ASP 546.A O no hydrogen 3.474 N/A HIS 550.A N GLY 559.A O no hydrogen 2.750 N/A HIS 550.A ND1 GLU 657.A OE2 no hydrogen 2.647 N/A HIS 550.A NE2 ASP 561.A OD1 no hydrogen 2.684 N/A TYR 551.A OH ASP 546.A O no hydrogen 2.596 N/A ASP 552.A N ILE 556.A O no hydrogen 3.050 N/A ASN 554.A N ASP 552.A OD1 no hydrogen 2.879 N/A ASN 555.A N ASP 552.A O no hydrogen 2.917 N/A ASN 555.A ND2 HIS 271.A O no hydrogen 2.685 N/A ASN 555.A ND2 SER 273.A OG no hydrogen 3.021 N/A ILE 556.A N ASP 552.A OD1 no hydrogen 2.996 N/A VAL 558.A N HIS 550.A O no hydrogen 2.888 N/A VAL 565.A N ASP 561.A O no hydrogen 3.084 N/A LYS 566.A N GLU 562.A O no hydrogen 2.813 N/A GLU 567.A N SER 563.A O no hydrogen 2.907 N/A ALA 568.A N VAL 564.A O no hydrogen 3.122 N/A HIS 569.A N LYS 566.A O no hydrogen 2.969 N/A HIS 569.A ND1 VAL 565.A O no hydrogen 2.746 N/A HIS 569.A NE2 TYR 595.A OH no hydrogen 2.764 N/A ARG 570.A N GLU 567.A O no hydrogen 3.261 N/A VAL 572.A N ARG 570.A O no hydrogen 3.230 N/A ILE 573.A N LEU 581.A O no hydrogen 2.647 N/A ASN 574.A N LEU 581.A O no hydrogen 3.098 N/A SER 576.A N GLY 579.A O no hydrogen 2.966 N/A GLU 578.A N SER 576.A OG no hydrogen 2.970 N/A GLY 579.A N SER 576.A O no hydrogen 3.198 N/A LEU 580.A N ILE 629.A O no hydrogen 3.066 N/A LEU 581.A N ASN 574.A O no hydrogen 2.768 N/A LEU 582.A N THR 627.A O no hydrogen 3.047 N/A ASN 583.A N GLU 571.A O no hydrogen 3.405 N/A ASN 583.A ND2 GLU 571.A OE2 no hydrogen 3.188 N/A ARG 589.A N ASP 585.A O no hydrogen 3.205 N/A ARG 589.A NH1 ILE 584.A O no hydrogen 2.941 N/A LYS 590.A N LYS 586.A O no hydrogen 3.111 N/A LYS 590.A NZ ASP 450.A O no hydrogen 3.527 N/A LYS 590.A NZ ASN 452.A OD1 no hydrogen 3.044 N/A ILE 591.A N ILE 588.A O no hydrogen 3.042 N/A LEU 592.A N ARG 589.A O no hydrogen 3.243 N/A SER 593.A N VAL 654.A O no hydrogen 2.811 N/A SER 593.A OG THR 659.A OG1 no hydrogen 2.532 N/A TYR 595.A N LEU 616.A O no hydrogen 3.041 N/A TYR 595.A OH HIS 569.A NE2 no hydrogen 2.764 N/A ILE 596.A N TYR 652.A O no hydrogen 2.912 N/A VAL 597.A N ASN 610.A OD1 no hydrogen 2.922 N/A GLU 598.A N ASN 650.A O no hydrogen 2.875 N/A ILE 599.A N GLU 607.A O no hydrogen 2.769 N/A GLU 600.A N LYS 648.A O no hydrogen 2.826 N/A ASP 601.A N LEU 605.A O no hydrogen 2.807 N/A THR 602.A OG1 GLU 603.A OE1 no hydrogen 3.118 N/A THR 602.A OG1 GLU 603.A OE2 no hydrogen 2.698 N/A GLU 603.A N ASP 601.A OD1 no hydrogen 2.757 N/A GLY 604.A N ASP 601.A O no hydrogen 3.118 N/A LEU 605.A N ASP 601.A OD1 no hydrogen 2.795 N/A GLU 607.A N ILE 599.A O no hydrogen 2.848 N/A ILE 609.A N VAL 597.A O no hydrogen 2.813 N/A ASN 610.A ND2 TYR 595.A O no hydrogen 2.920 N/A ASN 610.A ND2 MET 615.A O no hydrogen 2.749 N/A ARG 612.A N ASN 610.A O no hydrogen 2.943 N/A ARG 612.A NE ASP 614.A OD1 no hydrogen 2.832 N/A ARG 612.A NH2 ASP 614.A OD1 no hydrogen 3.541 N/A ARG 612.A NH2 ASP 614.A OD2 no hydrogen 2.936 N/A TYR 613.A N THR 669.A O no hydrogen 2.908 N/A MET 615.A N ARG 612.A O no hydrogen 3.051 N/A ILE 618.A N LEU 616.A O no hydrogen 2.754 N/A SER 620.A N PHE 628.A O no hydrogen 2.950 N/A ARG 622.A N LYS 626.A O no hydrogen 2.632 N/A ARG 622.A NE ASP 624.A OD1 no hydrogen 3.188 N/A ARG 622.A NH2 ASP 624.A OD2 no hydrogen 2.694 N/A GLY 625.A N ARG 622.A O no hydrogen 2.965 N/A LYS 626.A N ASP 624.A OD1 no hydrogen 3.170 N/A LYS 626.A NZ ASP 624.A OD2 no hydrogen 2.809 N/A THR 627.A N LEU 582.A O no hydrogen 2.912 N/A PHE 628.A N SER 620.A O no hydrogen 2.869 N/A ILE 629.A N LEU 580.A O no hydrogen 2.863 N/A ASP 630.A N ILE 618.A O no hydrogen 2.808 N/A PHE 631.A N GLU 578.A O no hydrogen 2.963 N/A LYS 632.A N ASP 630.A OD1 no hydrogen 2.843 N/A LYS 632.A NZ GLU 578.A OE2 no hydrogen 2.968 N/A LYS 633.A N ASP 630.A OD1 no hydrogen 3.317 N/A LYS 633.A NZ ASN 617.A O no hydrogen 2.834 N/A TYR 634.A OH ASN 617.A OD1 no hydrogen 2.714 N/A ASN 635.A N LYS 632.A O no hydrogen 2.908 N/A ASN 635.A ND2 LEU 638.A O no hydrogen 3.014 N/A LYS 637.A N LYS 632.A O no hydrogen 2.882 N/A LYS 637.A NZ LYS 633.A O no hydrogen 2.612 N/A LEU 638.A N ASN 635.A O no hydrogen 3.275 N/A LEU 640.A N THR 577.A O no hydrogen 2.936 N/A ASN 646.A N ASN 644.A OD1 no hydrogen 2.841 N/A ASN 646.A ND2 ASN 644.A OD1 no hydrogen 3.210 N/A TYR 647.A N ASN 644.A O no hydrogen 2.858 N/A LYS 648.A N GLU 600.A O no hydrogen 2.904 N/A VAL 649.A N LYS 682.A O no hydrogen 2.890 N/A ASN 650.A N GLU 598.A O no hydrogen 2.885 N/A ASN 650.A ND2 GLU 598.A OE2 no hydrogen 2.953 N/A ASN 650.A ND2 GLU 600.A OE1 no hydrogen 2.886 N/A VAL 651.A N PHE 680.A O no hydrogen 2.907 N/A TYR 652.A N ILE 596.A O no hydrogen 2.849 N/A TYR 652.A OH GLU 598.A OE2 no hydrogen 2.486 N/A ALA 653.A N ILE 677.A O no hydrogen 2.682 N/A VAL 654.A N GLY 594.A O no hydrogen 2.937 N/A LYS 656.A N ILE 591.A O no hydrogen 2.896 N/A LYS 656.A NZ LYS 590.A O no hydrogen 2.862 N/A GLU 657.A N VAL 558.A O no hydrogen 2.843 N/A ASN 658.A N THR 655.A O no hydrogen 3.060 N/A THR 659.A N LYS 656.A O no hydrogen 3.116 N/A THR 659.A OG1 SER 593.A OG no hydrogen 2.532 N/A THR 659.A OG1 THR 655.A O no hydrogen 2.828 N/A THR 659.A OG1 LYS 656.A O no hydrogen 3.307 N/A ASN 662.A ND2 GLU 396.A O no hydrogen 3.130 N/A SER 664.A N ASP 668.A O no hydrogen 2.987 N/A GLY 667.A N SER 664.A O no hydrogen 2.937 N/A ASP 668.A N SER 664.A OG no hydrogen 3.172 N/A ASP 668.A N ASN 666.A OD1 no hydrogen 3.005 N/A SER 670.A N ASP 668.A OD1 no hydrogen 2.824 N/A SER 670.A OG ASP 668.A OD1 no hydrogen 2.753 N/A SER 670.A OG ASP 668.A OD2 no hydrogen 3.390 N/A THR 671.A N ASP 611.A OD1 no hydrogen 2.988 N/A THR 671.A OG1 ASP 611.A OD1 no hydrogen 2.660 N/A ASN 672.A N SER 670.A OG no hydrogen 3.336 N/A ILE 674.A N THR 671.A O no hydrogen 3.130 N/A ILE 677.A N ALA 653.A O no hydrogen 2.950 N/A ILE 679.A N VAL 651.A O no hydrogen 2.941 N/A PHE 680.A N VAL 651.A O no hydrogen 3.314 N/A SER 681.A OG ASN 650.A OD1 no hydrogen 2.649 N/A LYS 682.A N VAL 649.A O no hydrogen 3.285 N/A LYS 683.A N GLU 686.A OE1 no hydrogen 2.832 N/A LYS 683.A NZ TYR 685.A OH no hydrogen 3.469 N/A GLY 684.A N TYR 647.A O no hydrogen 2.882 N/A TYR 685.A N PRO 645.A O no hydrogen 3.023 N/A GLU 686.A N LYS 683.A O no hydrogen 2.923 N/A ILE 687.A N LYS 683.A O no hydrogen 3.054 N/A ILE 687.A N GLY 684.A O no hydrogen 3.278 N/A GLY 688.A N GLY 684.A O no hydrogen 3.118 N/A