Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1d0n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ASP 24.A OD1 no hydrogen 2.982 N/A GLU 5.A N HIS 3.A ND1 no hydrogen 3.033 N/A PHE 6.A N HIS 3.A O no hydrogen 3.097 N/A LYS 8.A N GLU 5.A O no hydrogen 2.867 N/A LYS 8.A NZ GLU 5.A OE2 no hydrogen 3.023 N/A ALA 9.A N GLU 5.A O no hydrogen 3.163 N/A ALA 9.A N PHE 6.A O no hydrogen 3.134 N/A GLY 10.A N GLN 16.A OE1 no hydrogen 3.033 N/A GLY 14.A N THR 47.A O no hydrogen 3.076 N/A GLN 16.A N LEU 45.A O no hydrogen 3.027 N/A GLN 16.A NE2 LYS 8.A O no hydrogen 2.933 N/A TRP 18.A N VAL 43.A O no hydrogen 2.947 N/A TRP 18.A NE1 GLU 5.A OE1 no hydrogen 2.792 N/A ARG 19.A N VAL 26.A O no hydrogen 2.929 N/A ARG 19.A NE ASP 40.A OD1 no hydrogen 2.664 N/A ARG 19.A NH1 GLU 21.A OE2 no hydrogen 2.667 N/A ARG 19.A NH1 PHE 123.A O no hydrogen 3.440 N/A ARG 19.A NH2 ASP 40.A OD1 no hydrogen 2.747 N/A ARG 19.A NH2 PHE 123.A O no hydrogen 2.490 N/A VAL 20.A N ALA 41.A O no hydrogen 2.901 N/A GLU 21.A N ASP 24.A O no hydrogen 2.853 N/A VAL 26.A N ARG 19.A O no hydrogen 2.993 N/A VAL 28.A N ILE 17.A O no hydrogen 2.959 N/A ASN 31.A ND2 ASN 197.A O no hydrogen 3.342 N/A LEU 32.A N PRO 29.A O no hydrogen 2.737 N/A TYR 33.A N PRO 30.A O no hydrogen 3.379 N/A ASP 35.A N LEU 32.A O no hydrogen 2.994 N/A PHE 36.A N LYS 113.A O no hydrogen 2.834 N/A PHE 37.A N TYR 42.A OH no hydrogen 2.822 N/A THR 38.A N LYS 115.A O no hydrogen 2.853 N/A THR 38.A OG1 GLN 97.A OE1 no hydrogen 3.560 N/A THR 38.A OG1 LYS 115.A O no hydrogen 3.247 N/A GLY 39.A N GLY 117.A O no hydrogen 3.071 N/A ASP 40.A N PHE 37.A O no hydrogen 2.983 N/A TYR 42.A N TRP 62.A O no hydrogen 3.022 N/A TYR 42.A OH HIS 125.A NE2 no hydrogen 2.610 N/A VAL 43.A N TRP 18.A O no hydrogen 2.854 N/A ILE 44.A N HIS 60.A O no hydrogen 2.705 N/A LEU 45.A N GLN 16.A O no hydrogen 2.991 N/A LYS 46.A N ASP 58.A O no hydrogen 2.964 N/A THR 47.A N GLY 14.A O no hydrogen 2.867 N/A VAL 48.A N GLN 56.A O no hydrogen 2.907 N/A LEU 50.A N ILE 54.A O no hydrogen 2.695 N/A ARG 51.A NH1 ASP 606.A OD1 no hydrogen 3.245 N/A GLY 53.A N LEU 50.A O no hydrogen 3.061 N/A ILE 54.A N ASN 52.A OD1 no hydrogen 2.938 N/A GLN 56.A N VAL 48.A O no hydrogen 2.690 N/A GLN 56.A NE2 ASP 58.A OD2 no hydrogen 3.533 N/A GLN 56.A NE2 LEU 357.A O no hydrogen 2.952 N/A TYR 57.A OH GLY 10.A O no hydrogen 2.967 N/A ASP 58.A N LYS 46.A O no hydrogen 3.055 N/A LEU 59.A N VAL 91.A O no hydrogen 2.707 N/A HIS 60.A N ILE 44.A O no hydrogen 2.877 N/A HIS 60.A ND1 GLU 95.A OE1 no hydrogen 2.815 N/A HIS 60.A NE2 TYR 107.A OH no hydrogen 2.652 N/A TYR 61.A N HIS 93.A O no hydrogen 2.924 N/A TRP 62.A N TYR 42.A O no hydrogen 2.802 N/A TRP 62.A NE1 GLU 100.A OE1 no hydrogen 3.081 N/A LEU 63.A N GLU 95.A O no hydrogen 2.887 N/A GLY 64.A N ASP 40.A O no hydrogen 3.238 N/A ASN 65.A N GLN 97.A OE1 no hydrogen 2.753 N/A GLU 66.A N THR 38.A O no hydrogen 2.961 N/A CYS 67.A N GLY 64.A O no hydrogen 3.324 N/A CYS 67.A SG SER 68.A O no hydrogen 3.573 N/A SER 72.A OG SER 68.A O no hydrogen 2.917 N/A SER 72.A OG GLN 69.A O no hydrogen 3.417 N/A GLY 73.A N GLN 69.A O no hydrogen 2.927 N/A ALA 74.A N ASP 70.A O no hydrogen 2.988 N/A ALA 75.A N GLU 71.A O no hydrogen 3.012 N/A ALA 76.A N SER 72.A O no hydrogen 3.040 N/A ILE 77.A N GLY 73.A O no hydrogen 2.927 N/A PHE 78.A N ALA 74.A O no hydrogen 3.024 N/A THR 79.A N ALA 75.A O no hydrogen 3.027 N/A THR 79.A OG1 ALA 75.A O no hydrogen 2.989 N/A VAL 80.A N ALA 76.A O no hydrogen 3.174 N/A GLN 81.A N ILE 77.A O no hydrogen 3.091 N/A LEU 82.A N PHE 78.A O no hydrogen 2.766 N/A ASP 83.A N THR 79.A O no hydrogen 2.945 N/A ASP 84.A N VAL 80.A O no hydrogen 3.086 N/A TYR 85.A N GLN 81.A O no hydrogen 3.037 N/A LEU 86.A N LEU 82.A O no hydrogen 3.053 N/A LEU 86.A N ASP 83.A O no hydrogen 3.140 N/A ASN 87.A N ASP 84.A O no hydrogen 2.870 N/A GLY 88.A N ASP 83.A O no hydrogen 2.634 N/A ALA 90.A N ASP 83.A OD1 no hydrogen 3.028 N/A VAL 91.A N TYR 57.A O no hydrogen 2.937 N/A GLN 92.A N VAL 326.A O no hydrogen 3.081 N/A GLN 92.A NE2 THR 79.A O no hydrogen 3.210 N/A HIS 93.A N LEU 59.A O no hydrogen 2.495 N/A HIS 93.A ND1 SER 325.A OG no hydrogen 3.171 N/A HIS 93.A NE2 ASP 58.A OD1 no hydrogen 2.852 N/A ARG 94.A N VAL 324.A O no hydrogen 3.000 N/A ARG 94.A NH1 LYS 320.A O no hydrogen 3.413 N/A ARG 94.A NH2 LYS 320.A O no hydrogen 3.079 N/A GLU 95.A N TYR 61.A O no hydrogen 2.892 N/A GLN 97.A N LEU 63.A O no hydrogen 2.992 N/A GLY 98.A N TYR 114.A OH no hydrogen 3.172 N/A PHE 99.A N VAL 96.A O no hydrogen 2.838 N/A GLU 100.A N GLU 100.A OE2 no hydrogen 2.569 N/A SER 101.A N GLU 95.A OE2 no hydrogen 2.666 N/A SER 101.A OG GLU 95.A OE1 no hydrogen 2.717 N/A SER 101.A OG GLU 95.A OE2 no hydrogen 3.249 N/A PHE 104.A N SER 101.A OG no hydrogen 3.307 N/A LEU 105.A N SER 101.A O no hydrogen 2.877 N/A GLY 106.A N ALA 102.A O no hydrogen 2.937 N/A TYR 107.A N PHE 104.A O no hydrogen 2.968 N/A TYR 107.A OH HIS 60.A NE2 no hydrogen 2.652 N/A PHE 108.A N LEU 105.A O no hydrogen 3.138 N/A LYS 109.A NZ PRO 632.A O no hydrogen 3.057 N/A LYS 109.A NZ GLU 634.A O no hydrogen 3.090 N/A LYS 109.A NZ ASP 639.A OD2 no hydrogen 3.168 N/A LEU 112.A N VAL 145.A O no hydrogen 2.881 N/A LYS 113.A N GLY 34.A O no hydrogen 2.750 N/A LYS 113.A NZ ASP 35.A OD2 no hydrogen 3.498 N/A LYS 113.A NZ GLU 198.A OE1 no hydrogen 2.786 N/A TYR 114.A N ALA 147.A O no hydrogen 2.799 N/A TYR 114.A OH GLU 100.A OE1 no hydrogen 2.960 N/A LYS 115.A N PHE 36.A O no hydrogen 2.969 N/A LYS 115.A NZ GLU 149.A OE1 no hydrogen 3.163 N/A LYS 116.A N GLU 149.A OE2 no hydrogen 2.686 N/A VAL 119.A N ASP 40.A OD2 no hydrogen 2.862 N/A GLY 122.A N VAL 119.A O no hydrogen 2.900 N/A PHE 123.A N GLY 118.A O no hydrogen 2.875 N/A HIS 125.A NE2 TYR 42.A OH no hydrogen 2.610 N/A ARG 135.A N ASP 166.A O no hydrogen 3.121 N/A ARG 135.A NE ASP 166.A OD2 no hydrogen 2.812 N/A ARG 135.A NH1 GLU 149.A OE1 no hydrogen 2.956 N/A ARG 135.A NH2 ASP 166.A OD2 no hydrogen 3.333 N/A ARG 135.A NH2 GLU 198.A OE1 no hydrogen 2.735 N/A LEU 137.A N ILE 164.A O no hydrogen 2.860 N/A GLN 138.A N THR 148.A O no hydrogen 2.840 N/A VAL 139.A N CYS 162.A O no hydrogen 2.943 N/A LYS 140.A N ARG 146.A O no hydrogen 2.992 N/A LYS 140.A NZ ASP 161.A OD1 no hydrogen 2.619 N/A LYS 140.A NZ ASP 161.A OD2 no hydrogen 3.339 N/A ARG 142.A NE ASP 644.A OD2 no hydrogen 2.994 N/A ARG 143.A NH2 ASP 644.A OD2 no hydrogen 3.183 N/A ARG 146.A N LYS 140.A O no hydrogen 2.867 N/A ARG 146.A NE TYR 114.A OH no hydrogen 3.074 N/A ARG 146.A NH2 GLU 100.A OE2 no hydrogen 2.890 N/A ALA 147.A N LEU 112.A O no hydrogen 2.821 N/A THR 148.A N GLN 138.A O no hydrogen 3.068 N/A GLU 149.A N TYR 114.A O no hydrogen 2.964 N/A VAL 150.A N LEU 136.A O no hydrogen 2.815 N/A TRP 154.A NE1 GLY 222.A O no hydrogen 2.916 N/A GLU 155.A N SER 153.A OG no hydrogen 2.833 N/A SER 156.A N SER 153.A O no hydrogen 3.215 N/A SER 156.A OG PRO 151.A O no hydrogen 2.880 N/A PHE 157.A N TRP 154.A O no hydrogen 3.134 N/A ASN 158.A ND2 ASP 161.A OD1 no hydrogen 2.751 N/A ASN 159.A N PRO 228.A O no hydrogen 2.969 N/A ASN 159.A ND2 GLU 229.A OE2 no hydrogen 3.157 N/A GLY 160.A N ASN 158.A OD1 no hydrogen 2.758 N/A ASP 161.A N ASN 158.A OD1 no hydrogen 2.760 N/A PHE 163.A N TRP 174.A O no hydrogen 2.566 N/A ILE 164.A N LEU 137.A O no hydrogen 2.792 N/A LEU 165.A N TYR 172.A O no hydrogen 2.818 N/A ASP 166.A N ARG 135.A O no hydrogen 2.910 N/A LEU 167.A N ASN 170.A O no hydrogen 2.993 N/A GLY 168.A N ASP 166.A OD1 no hydrogen 3.029 N/A ILE 171.A N GLN 204.A O no hydrogen 2.704 N/A TYR 172.A N LEU 165.A O no hydrogen 3.112 N/A GLN 173.A N SER 206.A O no hydrogen 3.004 N/A GLN 173.A NE2 ARG 184.A O no hydrogen 3.620 N/A GLN 173.A NE2 THR 188.A OG1 no hydrogen 3.217 N/A TRP 174.A N PHE 163.A O no hydrogen 2.777 N/A TRP 174.A NE1 GLU 213.A OE1 no hydrogen 3.078 N/A CYS 175.A N PHE 208.A O no hydrogen 3.133 N/A GLY 176.A N ASP 161.A O no hydrogen 2.767 N/A SER 177.A N GLU 210.A OE1 no hydrogen 2.726 N/A SER 177.A OG GLU 210.A OE1 no hydrogen 2.533 N/A LYS 178.A N ASN 159.A O no hydrogen 2.789 N/A LYS 178.A NZ GLU 229.A OE1 no hydrogen 3.276 N/A SER 179.A N GLY 176.A O no hydrogen 3.139 N/A SER 179.A OG GLY 176.A O no hydrogen 2.958 N/A ASN 180.A N GLU 183.A OE2 no hydrogen 2.978 N/A ASN 180.A ND2 ASP 643.A OD2 no hydrogen 3.470 N/A ARG 181.A NE ASP 718.A OD2 no hydrogen 3.198 N/A ARG 181.A NH2 ASP 718.A OD2 no hydrogen 2.824 N/A PHE 182.A N ASN 180.A OD1 no hydrogen 3.396 N/A ARG 184.A N ASN 180.A O no hydrogen 3.167 N/A ARG 184.A NE SER 179.A OG no hydrogen 2.594 N/A ARG 184.A NH2 SER 179.A O no hydrogen 2.806 N/A LEU 185.A N ARG 181.A O no hydrogen 2.982 N/A LYS 186.A N PHE 182.A O no hydrogen 3.051 N/A LYS 186.A NZ ASP 639.A OD1 no hydrogen 3.429 N/A ALA 187.A N GLU 183.A O no hydrogen 2.862 N/A THR 188.A N ARG 184.A O no hydrogen 3.076 N/A THR 188.A OG1 ARG 184.A O no hydrogen 2.792 N/A GLN 189.A N LYS 186.A O no hydrogen 2.988 N/A VAL 190.A N ALA 187.A O no hydrogen 3.068 N/A SER 191.A N ALA 187.A O no hydrogen 3.197 N/A SER 191.A OG GLN 173.A OE1 no hydrogen 2.772 N/A SER 191.A OG ALA 187.A O no hydrogen 3.497 N/A LYS 192.A N THR 188.A O no hydrogen 2.917 N/A GLY 193.A N GLN 189.A O no hydrogen 2.918 N/A ILE 194.A N VAL 190.A O no hydrogen 2.960 N/A ARG 195.A N SER 191.A O no hydrogen 3.005 N/A ARG 195.A NE ASP 196.A OD2 no hydrogen 2.831 N/A ARG 195.A NH2 ASP 196.A OD1 no hydrogen 3.249 N/A ARG 195.A NH2 ASP 196.A OD2 no hydrogen 3.179 N/A ASP 196.A N LYS 192.A O no hydrogen 2.782 N/A ASN 197.A N GLY 193.A O no hydrogen 2.680 N/A GLU 198.A N ILE 194.A O no hydrogen 3.143 N/A ARG 199.A NH1 ASP 166.A OD1 no hydrogen 2.765 N/A ARG 199.A NH1 ASP 166.A OD2 no hydrogen 3.396 N/A ARG 199.A NH1 GLY 168.A O no hydrogen 2.875 N/A ARG 199.A NH2 ASP 166.A OD2 no hydrogen 2.793 N/A GLY 201.A N ARG 195.A O no hydrogen 2.634 N/A ARG 202.A N ARG 199.A O no hydrogen 3.202 N/A GLN 204.A N ASN 169.A O no hydrogen 2.839 N/A SER 206.A N ILE 171.A O no hydrogen 3.075 N/A PHE 208.A N GLN 173.A O no hydrogen 2.694 N/A GLU 210.A N CYS 175.A O no hydrogen 2.996 N/A GLY 211.A N GLU 213.A OE1 no hydrogen 3.193 N/A ALA 212.A N GLU 209.A O no hydrogen 3.067 N/A LEU 218.A N PRO 214.A O no hydrogen 3.131 N/A GLN 219.A N GLU 215.A O no hydrogen 2.707 N/A VAL 220.A N ALA 216.A O no hydrogen 3.314 N/A LEU 221.A N MET 217.A O no hydrogen 3.017 N/A GLY 222.A N LEU 218.A O no hydrogen 2.768 N/A LYS 224.A NZ GLU 210.A OE2 no hydrogen 2.873 N/A LYS 224.A NZ PRO 225.A O no hydrogen 3.452 N/A THR 234.A OG1 THR 231.A O no hydrogen 2.588 N/A ALA 240.A N ASP 238.A O no hydrogen 2.656 N/A LYS 243.A NZ ASP 679.A O no hydrogen 2.988 N/A LYS 246.A N ASP 282.A O no hydrogen 3.081 N/A LEU 247.A N ALA 263.A O no hydrogen 3.023 N/A TYR 248.A N ILE 280.A O no hydrogen 2.927 N/A LYS 249.A N SER 260.A O no hydrogen 2.911 N/A VAL 250.A N CYS 278.A O no hydrogen 2.954 N/A SER 251.A N VAL 258.A O no hydrogen 3.355 N/A MET 257.A N GLY 255.A O no hydrogen 2.656 N/A SER 260.A N LYS 249.A O no hydrogen 3.085 N/A SER 260.A OG LYS 249.A O no hydrogen 3.470 N/A VAL 262.A N LEU 247.A O no hydrogen 2.966 N/A ALA 263.A N LEU 247.A O no hydrogen 3.246 N/A ASN 266.A ND2 LYS 243.A O no hydrogen 3.475 N/A ASN 266.A ND2 ALA 245.A O no hydrogen 3.422 N/A PHE 268.A N PHE 339.A O no hydrogen 2.742 N/A GLN 270.A NE2 ARG 344.A O no hydrogen 3.523 N/A ALA 272.A N ALA 269.A O no hydrogen 3.169 N/A LEU 273.A N GLN 270.A O no hydrogen 3.264 N/A SER 275.A OG GLU 329.A OE1 no hydrogen 2.812 N/A SER 275.A OG GLU 329.A OE2 no hydrogen 2.664 N/A ASP 277.A N ARG 274.A O no hydrogen 3.065 N/A CYS 278.A SG GLU 301.A OE2 no hydrogen 3.914 N/A PHE 279.A N TRP 292.A O no hydrogen 2.907 N/A ILE 280.A N TYR 248.A O no hydrogen 2.940 N/A LEU 281.A N PHE 290.A O no hydrogen 2.655 N/A ASP 282.A N LYS 246.A O no hydrogen 2.721 N/A HIS 283.A N LYS 288.A O no hydrogen 3.080 N/A GLY 284.A N ASP 282.A OD2 no hydrogen 2.895 N/A ASP 286.A N HIS 283.A O no hydrogen 2.915 N/A GLY 287.A N GLY 284.A O no hydrogen 2.668 N/A LYS 288.A N HIS 283.A O no hydrogen 3.381 N/A LYS 288.A NZ GLN 323.A OE1 no hydrogen 3.180 N/A ILE 289.A N GLN 323.A O no hydrogen 2.912 N/A PHE 290.A N LEU 281.A O no hydrogen 2.799 N/A VAL 291.A N SER 325.A O no hydrogen 2.826 N/A TRP 292.A N PHE 279.A O no hydrogen 2.620 N/A TRP 292.A NE1 GLU 332.A OE1 no hydrogen 3.197 N/A LYS 293.A N LEU 327.A O no hydrogen 2.876 N/A GLY 294.A N ASP 277.A O no hydrogen 2.913 N/A LYS 295.A N GLU 329.A OE2 no hydrogen 2.777 N/A GLN 296.A N SER 275.A O no hydrogen 2.753 N/A ALA 297.A N GLY 294.A O no hydrogen 2.980 N/A ARG 302.A N ASN 298.A O no hydrogen 3.207 N/A ARG 302.A N MET 299.A O no hydrogen 3.186 N/A LYS 303.A N MET 299.A O no hydrogen 3.048 N/A ALA 305.A N ARG 302.A O no hydrogen 3.169 N/A LYS 307.A NZ ALA 254.A O no hydrogen 2.828 N/A LYS 307.A NZ ASP 311.A OD2 no hydrogen 3.414 N/A THR 308.A N ALA 304.A O no hydrogen 2.761 N/A THR 308.A OG1 ALA 304.A O no hydrogen 2.778 N/A ALA 309.A N ALA 305.A O no hydrogen 2.975 N/A SER 310.A N LEU 306.A O no hydrogen 3.274 N/A SER 310.A OG LEU 306.A O no hydrogen 3.281 N/A ASP 311.A N LYS 307.A O no hydrogen 2.991 N/A PHE 312.A N THR 308.A O no hydrogen 3.037 N/A ILE 313.A N ALA 309.A O no hydrogen 2.963 N/A SER 314.A N SER 310.A O no hydrogen 2.955 N/A SER 314.A OG SER 310.A O no hydrogen 3.229 N/A LYS 315.A N ASP 311.A O no hydrogen 2.871 N/A MET 316.A N PHE 312.A O no hydrogen 2.984 N/A ASP 317.A N SER 314.A O no hydrogen 2.649 N/A TYR 318.A N ILE 313.A O no hydrogen 2.872 N/A TYR 318.A OH ASP 282.A OD1 no hydrogen 2.714 N/A TYR 318.A OH ASP 282.A OD2 no hydrogen 2.955 N/A THR 322.A N PRO 319.A O no hydrogen 3.121 N/A THR 322.A OG1 PRO 319.A O no hydrogen 2.600 N/A GLN 323.A N GLY 287.A O no hydrogen 3.274 N/A GLN 323.A NE2 PHE 99.A O no hydrogen 3.105 N/A SER 325.A N ILE 289.A O no hydrogen 3.299 N/A SER 325.A OG HIS 93.A ND1 no hydrogen 3.171 N/A VAL 326.A N GLN 92.A O no hydrogen 2.906 N/A LEU 327.A N VAL 291.A O no hydrogen 2.797 N/A GLU 329.A N LYS 293.A O no hydrogen 2.914 N/A GLY 330.A N GLU 332.A OE1 no hydrogen 2.790 N/A GLY 331.A N PRO 328.A O no hydrogen 2.859 N/A GLU 332.A N GLU 332.A OE2 no hydrogen 2.665 N/A PHE 336.A N THR 333.A O no hydrogen 3.059 N/A ARG 337.A N THR 333.A O no hydrogen 2.951 N/A ARG 337.A NH2 ASP 345.A OD2 no hydrogen 2.693 N/A GLN 338.A N PRO 334.A O no hydrogen 2.951 N/A GLN 338.A NE2 LEU 335.A O no hydrogen 2.916 N/A PHE 339.A N PHE 336.A O no hydrogen 3.185 N/A PHE 340.A N ARG 337.A O no hydrogen 2.934 N/A LYS 341.A N PHE 268.A O no hydrogen 2.838 N/A TRP 343.A NE1 ASP 345.A OD1 no hydrogen 2.728 N/A ARG 344.A N GLN 270.A OE1 no hydrogen 3.019 N/A ASP 347.A N ASP 345.A O no hydrogen 2.678 N/A GLN 348.A N ASP 345.A O no hydrogen 3.151 N/A TYR 356.A OH ASP 58.A OD1 no hydrogen 2.797 N/A TYR 356.A OH ASP 58.A OD2 no hydrogen 3.164 N/A LEU 357.A N GLN 56.A OE1 no hydrogen 2.566 N/A ILE 361.A N SER 358.A O no hydrogen 3.058 N/A ALA 362.A N SER 359.A O no hydrogen 3.415 N/A VAL 364.A N ILE 361.A O no hydrogen 2.956 N/A ARG 366.A NH1 VAL 364.A O no hydrogen 3.561 N/A VAL 367.A N GLN 383.A OE1 no hydrogen 2.945 N/A THR 373.A N ASP 370.A O no hydrogen 2.820 N/A THR 373.A N ASP 370.A OD1 no hydrogen 3.198 N/A THR 373.A OG1 ASP 370.A O no hydrogen 3.294 N/A THR 373.A OG1 ASP 370.A OD1 no hydrogen 2.912 N/A LEU 374.A N ASP 370.A O no hydrogen 2.859 N/A THR 376.A N THR 373.A O no hydrogen 2.889 N/A SER 377.A N LEU 374.A O no hydrogen 2.956 N/A MET 380.A N SER 377.A OG no hydrogen 3.178 N/A ALA 381.A N SER 377.A O no hydrogen 3.170 N/A ALA 382.A N THR 378.A O no hydrogen 2.922 N/A GLN 383.A N ALA 379.A O no hydrogen 2.963 N/A GLN 383.A NE2 GLU 365.A O no hydrogen 2.739 N/A HIS 384.A N MET 380.A O no hydrogen 2.984 N/A HIS 384.A NE2 VAL 367.A O no hydrogen 2.915 N/A MET 386.A N ALA 381.A O no hydrogen 2.921 N/A GLY 390.A N ASP 388.A OD2 no hydrogen 2.805 N/A THR 391.A N ASP 389.A OD1 no hydrogen 3.104 N/A THR 391.A OG1 ASP 389.A OD1 no hydrogen 2.686 N/A GLY 392.A N TYR 425.A OH no hydrogen 2.808 N/A LYS 394.A NZ LEU 485.A O no hydrogen 2.818 N/A GLN 395.A N LEU 424.A O no hydrogen 2.977 N/A ILE 396.A N TYR 412.A OH no hydrogen 3.288 N/A TRP 397.A N ILE 422.A O no hydrogen 3.003 N/A ARG 398.A N VAL 405.A O no hydrogen 2.782 N/A ARG 398.A NE GLU 400.A OE1 no hydrogen 2.934 N/A ARG 398.A NH2 GLU 400.A OE1 no hydrogen 2.669 N/A VAL 399.A N SER 420.A O no hydrogen 3.084 N/A GLU 400.A N ASN 403.A O no hydrogen 3.137 N/A GLY 401.A N GLU 449.A OE1 no hydrogen 3.043 N/A ASN 403.A N GLU 400.A O no hydrogen 3.165 N/A VAL 405.A N ARG 398.A O no hydrogen 2.813 N/A VAL 407.A N ILE 396.A O no hydrogen 2.911 N/A ALA 410.A N ASP 408.A OD1 no hydrogen 2.965 N/A THR 411.A N ASP 408.A O no hydrogen 2.572 N/A THR 411.A OG1 ASP 408.A O no hydrogen 2.985 N/A TYR 412.A N PRO 409.A O no hydrogen 3.220 N/A GLN 414.A N THR 411.A O no hydrogen 2.917 N/A GLN 414.A NE2 TYR 494.A OH no hydrogen 2.564 N/A PHE 415.A N ILE 492.A O no hydrogen 2.925 N/A TYR 416.A N TYR 421.A OH no hydrogen 2.800 N/A GLY 417.A N TYR 494.A O no hydrogen 2.827 N/A ASP 419.A N TYR 416.A O no hydrogen 3.030 N/A SER 420.A OG SER 445.A OG no hydrogen 2.698 N/A TYR 421.A N TRP 440.A O no hydrogen 3.000 N/A ILE 422.A N TRP 397.A O no hydrogen 3.037 N/A ILE 423.A N TYR 438.A O no hydrogen 2.701 N/A LEU 424.A N GLN 395.A O no hydrogen 3.054 N/A TYR 425.A N ILE 436.A O no hydrogen 2.851 N/A TYR 425.A OH ASP 388.A OD1 no hydrogen 2.606 N/A TYR 425.A OH ASP 388.A OD2 no hydrogen 2.912 N/A ASN 426.A N GLN 393.A O no hydrogen 3.047 N/A ASN 426.A ND2 GLN 393.A O no hydrogen 3.325 N/A TYR 427.A N GLY 434.A O no hydrogen 2.887 N/A ARG 428.A N ASP 388.A OD1 no hydrogen 3.120 N/A HIS 429.A N ARG 432.A O no hydrogen 2.850 N/A HIS 429.A ND1 SER 431.A OG no hydrogen 3.000 N/A SER 431.A OG HIS 429.A ND1 no hydrogen 3.000 N/A SER 431.A OG HIS 429.A O no hydrogen 3.045 N/A ARG 432.A N HIS 429.A O no hydrogen 2.792 N/A GLY 434.A N TYR 427.A O no hydrogen 3.172 N/A GLN 435.A NE2 ASN 426.A OD1 no hydrogen 2.804 N/A ILE 436.A N TYR 425.A O no hydrogen 2.763 N/A ILE 437.A N VAL 469.A O no hydrogen 2.746 N/A TYR 438.A N ILE 423.A O no hydrogen 2.708 N/A ASN 439.A N SER 471.A O no hydrogen 2.945 N/A ASN 439.A ND2 TYR 421.A O no hydrogen 3.291 N/A ASN 439.A ND2 SER 453.A OG no hydrogen 3.360 N/A TRP 440.A N TYR 421.A O no hydrogen 2.901 N/A TRP 440.A NE1 GLU 478.A OE2 no hydrogen 3.237 N/A GLN 441.A N VAL 473.A O no hydrogen 2.801 N/A GLN 441.A NE2 ASN 439.A OD1 no hydrogen 3.083 N/A GLY 442.A N ASP 419.A O no hydrogen 3.196 N/A ALA 443.A N GLN 475.A OE1 no hydrogen 2.610 N/A GLN 444.A N GLY 417.A O no hydrogen 2.813 N/A GLN 444.A NE2 LYS 495.A O no hydrogen 3.280 N/A SER 445.A N GLY 442.A O no hydrogen 2.906 N/A SER 445.A OG SER 420.A OG no hydrogen 2.698 N/A THR 446.A OG1 ASP 448.A OD1 no hydrogen 2.734 N/A VAL 450.A N THR 446.A O no hydrogen 2.930 N/A ALA 451.A N GLN 447.A O no hydrogen 2.789 N/A ALA 452.A N ASP 448.A O no hydrogen 2.765 N/A SER 453.A N GLU 449.A O no hydrogen 2.882 N/A SER 453.A OG GLU 449.A O no hydrogen 3.449 N/A SER 453.A OG VAL 450.A O no hydrogen 2.567 N/A ALA 454.A N VAL 450.A O no hydrogen 3.208 N/A ILE 455.A N ALA 451.A O no hydrogen 3.283 N/A LEU 456.A N ALA 452.A O no hydrogen 2.935 N/A THR 457.A N SER 453.A O no hydrogen 2.863 N/A THR 457.A OG1 SER 453.A O no hydrogen 2.749 N/A ALA 458.A N ALA 454.A O no hydrogen 2.950 N/A GLN 459.A N ILE 455.A O no hydrogen 2.846 N/A LEU 460.A N LEU 456.A O no hydrogen 2.931 N/A ASP 461.A N THR 457.A O no hydrogen 3.029 N/A GLU 462.A N ALA 458.A O no hydrogen 3.047 N/A GLU 463.A N GLN 459.A O no hydrogen 2.937 N/A LEU 464.A N ASP 461.A O no hydrogen 3.135 N/A GLY 465.A N GLU 462.A O no hydrogen 3.128 N/A GLY 466.A N ASP 461.A O no hydrogen 2.830 N/A VAL 469.A N GLN 435.A O no hydrogen 2.951 N/A GLN 470.A N VAL 693.A O no hydrogen 3.049 N/A SER 471.A N ILE 437.A O no hydrogen 2.963 N/A SER 471.A OG ILE 691.A O no hydrogen 3.369 N/A SER 471.A OG THR 692.A OG1 no hydrogen 3.077 N/A ARG 472.A N ILE 691.A O no hydrogen 2.681 N/A VAL 473.A N ASN 439.A O no hydrogen 2.873 N/A GLN 475.A N GLN 441.A O no hydrogen 2.912 N/A GLN 475.A NE2 TYR 494.A O no hydrogen 3.620 N/A GLY 476.A N GLU 478.A OE1 no hydrogen 3.315 N/A GLY 476.A N GLU 478.A OE2 no hydrogen 2.545 N/A LYS 477.A N VAL 474.A O no hydrogen 3.134 N/A MET 483.A N PRO 479.A O no hydrogen 3.215 N/A SER 484.A N ALA 480.A O no hydrogen 3.325 N/A SER 484.A N HIS 481.A O no hydrogen 3.253 N/A SER 484.A OG ASP 389.A O no hydrogen 3.464 N/A SER 484.A OG HIS 481.A O no hydrogen 3.268 N/A LYS 489.A N PHE 486.A O no hydrogen 3.001 N/A MET 491.A N THR 523.A O no hydrogen 2.997 N/A ILE 492.A N GLY 413.A O no hydrogen 2.784 N/A VAL 493.A N ALA 525.A O no hydrogen 2.814 N/A TYR 494.A N PHE 415.A O no hydrogen 2.981 N/A LYS 495.A N GLU 527.A OE2 no hydrogen 3.165 N/A THR 498.A OG1 ASP 419.A OD1 no hydrogen 2.684 N/A SER 499.A N THR 498.A OG1 no hydrogen 2.492 N/A SER 499.A OG ASP 419.A OD2 no hydrogen 3.339 N/A ARG 500.A N THR 498.A OG1 no hydrogen 3.042 N/A ARG 500.A NE THR 498.A OG1 no hydrogen 2.625 N/A ARG 500.A NH1 GLU 449.A OE1 no hydrogen 2.842 N/A ARG 500.A NH2 ASP 419.A OD1 no hydrogen 2.832 N/A ARG 500.A NH2 GLU 449.A OE2 no hydrogen 2.976 N/A THR 505.A OG1 GLY 503.A O no hydrogen 3.391 N/A ALA 508.A N ALA 506.A O no hydrogen 2.587 N/A ARG 511.A NE GLU 527.A OE1 no hydrogen 3.030 N/A ARG 511.A NH2 GLU 527.A OE2 no hydrogen 2.996 N/A PHE 513.A N VAL 542.A O no hydrogen 2.952 N/A GLN 514.A N VAL 526.A O no hydrogen 2.712 N/A VAL 515.A N ALA 540.A O no hydrogen 2.747 N/A ARG 516.A N ARG 524.A O no hydrogen 3.257 N/A SER 518.A N ALA 522.A O no hydrogen 2.767 N/A SER 518.A OG SER 520.A OG no hydrogen 3.189 N/A SER 518.A OG ALA 522.A O no hydrogen 3.349 N/A SER 520.A OG SER 518.A OG no hydrogen 3.189 N/A GLY 521.A N SER 518.A O no hydrogen 2.730 N/A ARG 524.A N ARG 516.A O no hydrogen 3.151 N/A ALA 525.A N MET 491.A O no hydrogen 2.661 N/A VAL 526.A N GLN 514.A O no hydrogen 2.906 N/A GLU 527.A N VAL 493.A O no hydrogen 3.090 N/A ILE 528.A N LEU 512.A O no hydrogen 3.038 N/A ALA 534.A N ALA 532.A O no hydrogen 2.478 N/A LEU 535.A N ALA 532.A O no hydrogen 3.021 N/A SER 537.A N ARG 599.A O no hydrogen 3.162 N/A SER 537.A OG GLU 581.A OE1 no hydrogen 2.704 N/A SER 537.A OG GLU 581.A OE2 no hydrogen 3.363 N/A ASN 538.A N ASN 536.A OD1 no hydrogen 2.694 N/A ALA 540.A N VAL 515.A O no hydrogen 3.217 N/A PHE 541.A N TRP 552.A O no hydrogen 2.938 N/A VAL 542.A N PHE 513.A O no hydrogen 2.764 N/A LEU 543.A N TYR 550.A O no hydrogen 2.968 N/A LYS 544.A N ARG 511.A O no hydrogen 2.905 N/A ALA 549.A N GLN 575.A O no hydrogen 3.259 N/A TYR 550.A N LEU 543.A O no hydrogen 3.235 N/A VAL 553.A N VAL 579.A O no hydrogen 2.923 N/A ALA 555.A N GLU 581.A OE1 no hydrogen 2.999 N/A GLY 556.A N SER 537.A O no hydrogen 2.622 N/A ALA 557.A N GLY 554.A O no hydrogen 2.683 N/A SER 558.A OG ALA 557.A O no hydrogen 2.713 N/A LYS 562.A N SER 558.A O no hydrogen 3.224 N/A THR 563.A N GLU 559.A O no hydrogen 2.964 N/A GLY 564.A N ALA 560.A O no hydrogen 3.067 N/A ALA 565.A N GLU 561.A O no hydrogen 2.681 N/A GLN 566.A N LYS 562.A O no hydrogen 2.956 N/A GLU 567.A N THR 563.A O no hydrogen 3.230 N/A ARG 570.A N GLN 566.A O no hydrogen 3.091 N/A LEU 572.A N LEU 568.A O no hydrogen 2.807 N/A ARG 573.A N ARG 570.A O no hydrogen 3.132 N/A ALA 574.A N LEU 569.A O no hydrogen 3.178 N/A GLN 578.A N GLN 578.A OE1 no hydrogen 2.651 N/A GLU 581.A N VAL 553.A O no hydrogen 3.418 N/A GLY 582.A N TYR 598.A OH no hydrogen 3.033 N/A SER 583.A OG ALA 580.A O no hydrogen 3.549 N/A PHE 588.A N PRO 585.A O no hydrogen 2.915 N/A GLU 590.A N ASP 586.A O no hydrogen 3.180 N/A GLY 593.A N GLU 590.A O no hydrogen 3.187 N/A GLY 594.A N TRP 589.A O no hydrogen 3.334 N/A TYR 598.A OH GLU 584.A OE2 no hydrogen 2.945 N/A ARG 603.A NH1 ASP 539.A OD2 no hydrogen 3.146 N/A ARG 603.A NH2 ASP 539.A OD2 no hydrogen 2.805 N/A LYS 607.A NZ GLN 348.A O no hydrogen 2.996 N/A LYS 607.A NZ GLU 350.A O no hydrogen 2.930 N/A LYS 607.A NZ GLY 353.A O no hydrogen 3.400 N/A LYS 608.A N LYS 605.A O no hydrogen 3.363 N/A LYS 608.A NZ ASP 652.A OD1 no hydrogen 3.471 N/A ASP 610.A N LYS 607.A O no hydrogen 2.878 N/A ALA 611.A N LYS 607.A O no hydrogen 2.891 N/A HIS 612.A N LYS 608.A O no hydrogen 2.954 N/A ARG 615.A N ASP 649.A O no hydrogen 3.191 N/A ARG 615.A NE GLU 630.A OE2 no hydrogen 3.393 N/A ARG 615.A NH2 GLU 630.A OE1 no hydrogen 3.020 N/A PHE 617.A N LEU 647.A O no hydrogen 2.972 N/A ALA 618.A N GLU 629.A O no hydrogen 2.774 N/A CYS 619.A N VAL 645.A O no hydrogen 2.822 N/A SER 620.A N VAL 627.A O no hydrogen 3.066 N/A ASN 621.A N GLU 666.A OE2 no hydrogen 3.169 N/A ARG 625.A N ASN 621.A O no hydrogen 3.178 N/A ARG 625.A N LYS 622.A O no hydrogen 3.389 N/A VAL 627.A N SER 620.A O no hydrogen 2.721 N/A GLU 629.A N ALA 618.A O no hydrogen 3.173 N/A VAL 631.A N LEU 616.A O no hydrogen 2.862 N/A GLN 637.A NE2 ASP 711.A O no hydrogen 3.085 N/A ASP 639.A N MET 636.A O no hydrogen 2.961 N/A LEU 640.A N GLN 637.A O no hydrogen 3.157 N/A THR 642.A OG1 ASP 661.A OD2 no hydrogen 2.952 N/A ASP 644.A N ALA 641.A O no hydrogen 2.676 N/A MET 646.A N TRP 657.A O no hydrogen 2.748 N/A LEU 647.A N PHE 617.A O no hydrogen 2.951 N/A LEU 648.A N PHE 655.A O no hydrogen 2.754 N/A ASP 649.A N ARG 615.A O no hydrogen 2.838 N/A GLN 653.A NE2 THR 692.A OG1 no hydrogen 2.455 N/A VAL 654.A N PRO 690.A O no hydrogen 3.234 N/A PHE 655.A N LEU 648.A O no hydrogen 2.859 N/A VAL 656.A N THR 692.A O no hydrogen 2.891 N/A TRP 657.A N MET 646.A O no hydrogen 2.693 N/A TRP 657.A NE1 GLU 699.A OE1 no hydrogen 2.727 N/A VAL 658.A N VAL 694.A O no hydrogen 3.116 N/A GLY 659.A N ASP 644.A O no hydrogen 2.867 N/A LYS 660.A N GLN 696.A OE1 no hydrogen 2.723 N/A ASP 661.A N THR 642.A O no hydrogen 2.758 N/A SER 662.A N GLY 659.A O no hydrogen 3.188 N/A SER 662.A OG GLY 659.A O no hydrogen 2.800 N/A GLU 666.A N GLN 663.A O no hydrogen 2.907 N/A LYS 667.A N GLN 663.A O no hydrogen 3.120 N/A LYS 667.A NZ LYS 660.A O no hydrogen 3.321 N/A THR 668.A N ASP 664.A O no hydrogen 3.119 N/A THR 668.A OG1 ASP 664.A O no hydrogen 3.147 N/A SER 673.A N GLU 669.A O no hydrogen 2.707 N/A SER 673.A OG GLU 669.A O no hydrogen 2.836 N/A ALA 674.A N ALA 670.A O no hydrogen 3.075 N/A LYS 675.A N LEU 671.A O no hydrogen 2.988 N/A ARG 676.A N THR 672.A O no hydrogen 2.863 N/A TYR 677.A N SER 673.A O no hydrogen 2.729 N/A TYR 677.A OH ASP 649.A OD2 no hydrogen 2.491 N/A ILE 678.A N ALA 674.A O no hydrogen 2.798 N/A ASP 679.A N LYS 675.A O no hydrogen 2.711 N/A THR 680.A N ARG 676.A O no hydrogen 3.048 N/A THR 680.A N TYR 677.A O no hydrogen 3.333 N/A THR 680.A OG1 ARG 676.A O no hydrogen 3.022 N/A ALA 683.A N ASP 681.A OD1 no hydrogen 2.644 N/A HIS 684.A N ASP 681.A O no hydrogen 3.097 N/A ARG 685.A NH1 ASP 649.A OD1 no hydrogen 3.372 N/A ARG 685.A NH1 ASP 649.A OD2 no hydrogen 2.645 N/A ARG 685.A NH1 ASP 681.A OD2 no hydrogen 2.902 N/A ARG 685.A NH2 ASP 649.A OD1 no hydrogen 2.919 N/A ARG 685.A NH2 THR 650.A O no hydrogen 3.531 N/A ARG 688.A NE ASP 686.A OD1 no hydrogen 2.935 N/A ARG 688.A NE ASP 686.A OD2 no hydrogen 2.598 N/A ARG 688.A NH2 ASP 686.A OD2 no hydrogen 3.196 N/A THR 689.A N ASP 686.A O no hydrogen 3.028 N/A THR 689.A OG1 ASP 686.A O no hydrogen 2.597 N/A ILE 691.A N ARG 472.A O no hydrogen 3.121 N/A THR 692.A N VAL 654.A O no hydrogen 2.989 N/A THR 692.A OG1 SER 471.A OG no hydrogen 3.077 N/A VAL 693.A N GLN 470.A O no hydrogen 2.598 N/A VAL 694.A N VAL 656.A O no hydrogen 2.871 N/A LYS 695.A NZ ASP 461.A OD1 no hydrogen 3.291 N/A LYS 695.A NZ ASP 461.A OD2 no hydrogen 2.841 N/A LYS 695.A NZ GLY 466.A O no hydrogen 2.745 N/A LYS 695.A NZ PRO 468.A O no hydrogen 3.383 N/A GLN 696.A N VAL 658.A O no hydrogen 3.370 N/A GLY 697.A N GLU 699.A OE1 no hydrogen 3.050 N/A GLY 697.A N GLU 699.A OE2 no hydrogen 2.992 N/A PHE 698.A N LYS 695.A O no hydrogen 2.791 N/A GLU 699.A N GLU 699.A OE2 no hydrogen 2.746 N/A SER 702.A N ASP 387.A OD2 no hydrogen 2.856 N/A SER 702.A OG ASP 387.A OD1 no hydrogen 3.537 N/A SER 702.A OG ASP 387.A OD2 no hydrogen 2.786 N/A PHE 703.A N PRO 700.A O no hydrogen 2.890 N/A VAL 704.A N PRO 700.A O no hydrogen 3.118 N/A GLY 705.A N PRO 701.A O no hydrogen 3.058 N/A TRP 706.A N PHE 703.A O no hydrogen 3.123 N/A PHE 707.A N VAL 704.A O no hydrogen 2.635 N/A ASP 711.A N GLN 637.A OE1 no hydrogen 2.932 N/A TYR 714.A N ASP 711.A O no hydrogen 2.948 N/A SER 716.A N SER 713.A O no hydrogen 2.951 N/A SER 716.A OG SER 713.A O no hydrogen 2.659 N/A ARG 722.A N ASP 718.A O no hydrogen 2.969 N/A ARG 722.A NH2 TYR 714.A O no hydrogen 2.509 N/A ALA 723.A N PRO 719.A O no hydrogen 2.783 N/A LEU 724.A N LEU 720.A O no hydrogen 2.891 N/A ALA 725.A N ASP 721.A O no hydrogen 2.945 N/A ALA 725.A N ARG 722.A O no hydrogen 3.018 N/A GLU 726.A N ALA 723.A O no hydrogen 2.968 N/A ALA 729.A N LEU 727.A O no hydrogen 2.927 N/A