Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jlg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH2 GLU 231.A OE2 no hydrogen 2.671 N/A ALA 4.A N VAL 234.A O no hydrogen 3.046 N/A PHE 7.A N LEU 378.A O no hydrogen 2.869 N/A LEU 9.A N HIS 376.A O no hydrogen 3.255 N/A ASP 11.A N PRO 8.A O no hydrogen 2.755 N/A LYS 13.A N ASP 11.A OD2 no hydrogen 3.074 N/A LYS 13.A NZ ASP 381.A OD1 no hydrogen 3.464 N/A LYS 13.A NZ ASP 381.A OD2 no hydrogen 3.335 N/A LYS 13.A NZ SER 383.A OG no hydrogen 3.072 N/A ALA 14.A N ASP 11.A O no hydrogen 3.104 N/A GLN 15.A N ASP 11.A O no hydrogen 2.767 N/A MET 16.A N ILE 12.A O no hydrogen 3.024 N/A LEU 17.A N ALA 14.A O no hydrogen 2.811 N/A PHE 18.A N GLN 15.A O no hydrogen 3.316 N/A ALA 19.A N PRO 154.A O no hydrogen 2.869 N/A ASN 21.A N ALA 19.A O no hydrogen 2.812 N/A ASN 21.A ND2 TYR 155.A O no hydrogen 2.986 N/A LYS 23.A NZ ASN 158.A OD1 no hydrogen 2.944 N/A ALA 24.A N ASN 21.A OD1 no hydrogen 2.808 N/A GLN 25.A N ASN 21.A O no hydrogen 3.181 N/A GLN 26.A N ILE 22.A O no hydrogen 2.896 N/A ALA 27.A N LYS 23.A O no hydrogen 2.762 N/A SER 28.A N ALA 24.A O no hydrogen 3.109 N/A SER 28.A N GLN 25.A O no hydrogen 3.135 N/A SER 28.A OG GLN 25.A O no hydrogen 2.715 N/A LYS 29.A N GLN 25.A O no hydrogen 3.304 N/A LYS 29.A N GLN 26.A O no hydrogen 3.235 N/A ARG 30.A N ALA 27.A O no hydrogen 3.386 N/A GLY 35.A N GLY 92.A O no hydrogen 3.292 N/A ILE 37.A N SER 45.A OG no hydrogen 3.136 N/A ILE 37.A N ASN 91.A O no hydrogen 3.300 N/A TYR 40.A OH GLN 525.A O no hydrogen 2.606 N/A GLY 42.A N GLU 38.A OE2 no hydrogen 3.230 N/A LEU 43.A N TYR 40.A O no hydrogen 2.862 N/A SER 45.A N ILE 37.A O no hydrogen 2.927 N/A SER 45.A OG ASN 91.A O no hydrogen 2.623 N/A ASP 47.A N LEU 44.A O no hydrogen 2.915 N/A ARG 49.A NH1 ASP 47.A OD1 no hydrogen 2.385 N/A PHE 50.A N ASP 47.A OD2 no hydrogen 3.148 N/A LEU 51.A N ASP 47.A O no hydrogen 2.921 N/A SER 52.A N PRO 48.A O no hydrogen 2.909 N/A PHE 53.A N ARG 49.A O no hydrogen 2.994 N/A LYS 54.A N PHE 50.A O no hydrogen 2.929 N/A LYS 54.A NZ MET 87.A O no hydrogen 3.174 N/A LYS 54.A NZ PHE 526.A O no hydrogen 3.131 N/A LYS 54.A NZ SER 527.A OG no hydrogen 3.201 N/A ASN 55.A N LEU 51.A O no hydrogen 2.895 N/A GLU 56.A N SER 52.A O no hydrogen 2.951 N/A LEU 57.A N PHE 53.A O no hydrogen 2.852 N/A SER 58.A N LYS 54.A O no hydrogen 2.947 N/A SER 58.A OG LYS 54.A O no hydrogen 2.818 N/A SER 58.A OG ASN 55.A O no hydrogen 3.198 N/A ARG 59.A N ASN 55.A O no hydrogen 3.226 N/A ARG 59.A NE ASN 55.A OD1 no hydrogen 3.061 N/A ARG 59.A NH2 ASN 55.A OD1 no hydrogen 3.251 N/A TYR 60.A N GLU 56.A O no hydrogen 2.920 N/A LEU 61.A N LEU 57.A O no hydrogen 3.095 N/A THR 62.A N SER 58.A O no hydrogen 3.225 N/A THR 62.A OG1 SER 58.A O no hydrogen 2.888 N/A ASP 63.A N ARG 59.A O no hydrogen 2.920 N/A HIS 64.A N TYR 60.A O no hydrogen 2.898 N/A HIS 64.A ND1 TYR 60.A O no hydrogen 3.064 N/A PHE 65.A N LEU 61.A O no hydrogen 2.782 N/A ASN 68.A N VAL 80.A O no hydrogen 2.921 N/A ASP 70.A N ARG 74.A O no hydrogen 2.838 N/A TYR 72.A OH GLU 473.A OE1 no hydrogen 2.627 N/A ARG 74.A N ASP 70.A OD2 no hydrogen 2.847 N/A ARG 74.A NH1 ASP 70.A OD1 no hydrogen 2.489 N/A TYR 76.A N ASN 68.A O no hydrogen 3.003 N/A ASN 78.A N ASN 68.A OD1 no hydrogen 2.778 N/A GLY 79.A N TYR 76.A O no hydrogen 3.145 N/A ASN 83.A ND2 ILE 211.A O no hydrogen 3.268 N/A PHE 84.A N THR 62.A OG1 no hydrogen 2.903 N/A PHE 85.A N ASN 83.A OD1 no hydrogen 2.554 N/A ARG 88.A N PHE 85.A O no hydrogen 2.890 N/A ARG 88.A NE SER 58.A OG no hydrogen 3.154 N/A ARG 88.A NH1 ASP 262.A O no hydrogen 2.977 N/A ARG 88.A NH1 GLY 263.A O no hydrogen 3.225 N/A ARG 88.A NH2 ASN 55.A OD1 no hydrogen 2.424 N/A HIS 89.A N MET 87.A O no hydrogen 2.791 N/A MET 90.A N PHE 265.A O no hydrogen 2.797 N/A ASN 91.A N HIS 89.A O no hydrogen 2.945 N/A ASN 91.A ND2 PHE 526.A O no hydrogen 3.507 N/A ASN 91.A ND2 SER 527.A OG no hydrogen 3.348 N/A GLY 92.A N GLU 267.A OE2 no hydrogen 2.939 N/A PHE 93.A N MET 90.A O no hydrogen 2.960 N/A MET 95.A N GLU 267.A O no hydrogen 2.722 N/A ILE 96.A N SER 246.A O no hydrogen 3.181 N/A ALA 98.A N PRO 370.A O no hydrogen 2.949 N/A THR 99.A OG1 TRP 100.A O no hydrogen 3.170 N/A TRP 100.A N ALA 228.A O no hydrogen 3.144 N/A TRP 100.A NE1 GLN 374.A OE1 no hydrogen 3.036 N/A ALA 103.A N ALA 233.A O no hydrogen 3.071 N/A ASN 105.A ND2 THR 330.A O no hydrogen 2.880 N/A ASN 105.A ND2 TRP 332.A O no hydrogen 2.998 N/A LYS 107.A NZ ASP 111.A OD1 no hydrogen 3.458 N/A LYS 107.A NZ ASP 111.A OD2 no hydrogen 2.815 N/A ARG 109.A N ASN 105.A O no hydrogen 2.839 N/A ARG 109.A NH1 PHE 331.A O no hydrogen 2.630 N/A ARG 109.A NH1 TYR 485.A O no hydrogen 3.310 N/A ARG 109.A NH2 ALA 115.A O no hydrogen 3.060 N/A ARG 109.A NH2 TYR 485.A O no hydrogen 3.015 N/A ALA 110.A N LEU 106.A O no hydrogen 2.872 N/A ASP 111.A N LYS 107.A O no hydrogen 2.796 N/A ALA 112.A N ARG 109.A O no hydrogen 3.246 N/A ASP 113.A N ALA 110.A O no hydrogen 2.828 N/A LEU 114.A N ARG 109.A O no hydrogen 2.781 N/A ALA 115.A N PRO 484.A O no hydrogen 2.860 N/A VAL 119.A N TYR 485.A OH no hydrogen 3.111 N/A ARG 122.A NE ASP 123.A OD2 no hydrogen 2.953 N/A ARG 122.A NH1 ASP 416.A OD2 no hydrogen 3.395 N/A ARG 122.A NH1 ASN 423.A OD1 no hydrogen 2.859 N/A ARG 122.A NH2 ASP 123.A OD2 no hydrogen 2.915 N/A ARG 122.A NH2 ASP 416.A OD2 no hydrogen 2.684 N/A ASN 124.A N SER 120.A O no hydrogen 3.116 N/A ASN 124.A ND2 GLU 121.A OE1 no hydrogen 3.555 N/A ASN 124.A ND2 GLU 121.A OE2 no hydrogen 3.321 N/A LEU 125.A N GLU 121.A O no hydrogen 2.861 N/A LEU 126.A N ARG 122.A O no hydrogen 2.901 N/A PHE 127.A N ASP 123.A O no hydrogen 2.804 N/A ARG 128.A N ASN 124.A O no hydrogen 3.179 N/A ARG 128.A NE ASN 124.A OD1 no hydrogen 3.091 N/A ARG 128.A NH1 ASP 342.A OD2 no hydrogen 2.925 N/A ARG 128.A NH1 GLU 343.A OE1 no hydrogen 2.734 N/A ARG 128.A NH2 ASP 342.A OD2 no hydrogen 3.272 N/A ALA 129.A N LEU 125.A O no hydrogen 2.701 N/A ALA 130.A N LEU 126.A O no hydrogen 2.925 N/A VAL 131.A N PHE 127.A O no hydrogen 3.161 N/A ARG 132.A N ARG 128.A O no hydrogen 2.954 N/A LEU 133.A N ALA 129.A O no hydrogen 2.894 N/A MET 134.A N ALA 130.A O no hydrogen 3.177 N/A PHE 135.A N VAL 131.A O no hydrogen 2.984 N/A SER 136.A OG ARG 132.A O no hydrogen 2.908 N/A ILE 145.A N HIS 647.A O no hydrogen 2.618 N/A ARG 146.A NE LEU 645.A O no hydrogen 3.394 N/A ARG 146.A NH2 LEU 645.A O no hydrogen 3.138 N/A LYS 147.A N LEU 645.A O no hydrogen 2.872 N/A LYS 147.A NZ GLU 643.A O no hydrogen 2.720 N/A LYS 147.A NZ VAL 644.A O no hydrogen 3.111 N/A SER 149.A N ARG 146.A O no hydrogen 3.481 N/A SER 149.A OG ARG 146.A O no hydrogen 2.916 N/A THR 151.A N SER 157.A O no hydrogen 3.137 N/A THR 151.A OG1 CYS 152.A O no hydrogen 3.558 N/A CYS 152.A N SER 150.A OG no hydrogen 3.054 N/A CYS 152.A SG SER 150.A O no hydrogen 3.974 N/A PHE 156.A N CYS 152.A O no hydrogen 2.855 N/A SER 157.A N THR 151.A OG1 no hydrogen 3.302 N/A ASN 158.A ND2 GLY 148.A O no hydrogen 3.464 N/A THR 162.A N ASP 159.A OD1 no hydrogen 2.573 N/A THR 162.A OG1 ASP 159.A OD1 no hydrogen 2.552 N/A LYS 163.A N ASP 159.A O no hydrogen 2.748 N/A LYS 163.A NZ SER 149.A O no hydrogen 3.170 N/A LYS 163.A NZ ASN 158.A O no hydrogen 3.551 N/A ILE 164.A N MET 160.A O no hydrogen 2.769 N/A GLU 165.A N GLY 161.A O no hydrogen 3.098 N/A ILE 166.A N THR 162.A O no hydrogen 2.921 N/A ALA 167.A N LYS 163.A O no hydrogen 2.712 N/A GLU 168.A N ILE 164.A O no hydrogen 2.827 N/A ARG 169.A N GLU 165.A O no hydrogen 3.105 N/A ALA 170.A N ILE 166.A O no hydrogen 2.744 N/A LEU 171.A N ALA 167.A O no hydrogen 3.008 N/A LEU 171.A N GLU 168.A O no hydrogen 2.947 N/A GLU 172.A N GLU 168.A O no hydrogen 3.396 N/A LYS 173.A N ARG 169.A O no hydrogen 3.050 N/A LYS 173.A NZ GLU 176.A OE1 no hydrogen 2.952 N/A ALA 177.A N LYS 173.A O no hydrogen 3.080 N/A GLY 178.A N ALA 174.A O no hydrogen 3.047 N/A ASN 179.A N GLU 175.A O no hydrogen 3.064 N/A LEU 180.A N GLU 176.A O no hydrogen 2.856 N/A MET 181.A N ALA 177.A O no hydrogen 2.814 N/A LEU 182.A N GLY 178.A O no hydrogen 2.715 N/A GLN 183.A N ASN 179.A O no hydrogen 3.007 N/A GLN 183.A N LEU 180.A O no hydrogen 2.892 N/A GLN 183.A NE2 ASN 179.A O no hydrogen 3.483 N/A GLY 184.A N MET 181.A O no hydrogen 2.653 N/A LYS 185.A N LEU 180.A O no hydrogen 2.926 N/A ALA 189.A N LYS 185.A O no hydrogen 3.138 N/A TYR 190.A N PHE 186.A O no hydrogen 2.909 N/A TYR 190.A OH MET 16.A O no hydrogen 2.593 N/A GLN 191.A N ASP 187.A O no hydrogen 2.778 N/A LEU 192.A N ASP 188.A O no hydrogen 2.808 N/A HIS 193.A N ALA 189.A O no hydrogen 2.981 N/A GLN 194.A N TYR 190.A O no hydrogen 2.743 N/A TYR 199.A N PRO 364.A O no hydrogen 2.892 N/A TYR 199.A OH SER 360.A O no hydrogen 2.747 N/A TYR 200.A N GLY 274.A O no hydrogen 2.770 N/A TYR 200.A OH ALA 27.A O no hydrogen 2.786 N/A VAL 201.A N TYR 366.A O no hydrogen 2.885 N/A VAL 202.A N ALA 272.A O no hydrogen 2.680 N/A TYR 203.A OH THR 99.A O no hydrogen 2.611 N/A ARG 204.A N ARG 270.A O no hydrogen 2.974 N/A ARG 204.A NH1 GLU 529.A OE1 no hydrogen 2.846 N/A GLN 206.A N ARG 268.A O no hydrogen 3.080 N/A SER 207.A OG SER 527.A O no hydrogen 2.405 N/A ASP 209.A N HIS 89.A NE2 no hydrogen 3.198 N/A ALA 210.A N ASP 209.A OD1 no hydrogen 2.704 N/A THR 212.A N VAL 221.A O no hydrogen 3.093 N/A ASP 214.A N LYS 219.A O no hydrogen 3.076 N/A LYS 216.A N ASP 214.A OD1 no hydrogen 2.849 N/A LYS 216.A NZ ASP 214.A OD1 no hydrogen 2.829 N/A THR 217.A N ASP 214.A OD1 no hydrogen 3.222 N/A GLY 218.A N ASP 214.A O no hydrogen 2.602 N/A VAL 221.A N THR 212.A O no hydrogen 2.838 N/A LYS 223.A N ALA 210.A O no hydrogen 2.921 N/A ARG 225.A NE ASP 209.A OD2 no hydrogen 2.924 N/A ARG 225.A NH2 ASP 209.A OD1 no hydrogen 2.971 N/A VAL 227.A N PHE 243.A O no hydrogen 2.660 N/A ALA 228.A N THR 99.A OG1 no hydrogen 2.964 N/A ASP 229.A N SER 241.A O no hydrogen 3.449 N/A TYR 232.A N ASP 229.A OD2 no hydrogen 2.975 N/A ALA 233.A N ASP 229.A O no hydrogen 3.064 N/A VAL 234.A N PHE 230.A O no hydrogen 3.040 N/A THR 235.A N GLU 231.A O no hydrogen 3.169 N/A THR 235.A N TYR 232.A O no hydrogen 3.054 N/A THR 235.A OG1 GLU 231.A O no hydrogen 2.991 N/A THR 235.A OG1 TYR 232.A O no hydrogen 3.354 N/A THR 235.A OG1 GLN 239.A O no hydrogen 3.415 N/A GLY 237.A N TYR 232.A O no hydrogen 2.978 N/A GLU 238.A N THR 235.A O no hydrogen 3.223 N/A GLU 238.A N THR 235.A OG1 no hydrogen 3.213 N/A GLN 239.A N THR 235.A OG1 no hydrogen 3.017 N/A SER 241.A N ASP 229.A OD1 no hydrogen 3.237 N/A SER 241.A N ASP 229.A OD2 no hydrogen 3.208 N/A SER 241.A OG ASP 229.A OD1 no hydrogen 2.971 N/A PHE 243.A N VAL 227.A O no hydrogen 2.899 N/A ALA 245.A N ARG 225.A O no hydrogen 3.198 N/A SER 246.A N ILE 96.A O no hydrogen 2.703 N/A LYS 247.A NZ ASP 209.A OD2 no hydrogen 2.970 N/A LYS 247.A NZ LYS 223.A O no hydrogen 3.175 N/A SER 250.A N ASP 248.A OD1 no hydrogen 3.124 N/A SER 250.A OG ASP 248.A OD2 no hydrogen 3.382 N/A ARG 251.A NH1 GLU 34.A OE1 no hydrogen 3.312 N/A ARG 251.A NH1 GLU 34.A OE2 no hydrogen 3.033 N/A ARG 251.A NH2 GLU 34.A OE1 no hydrogen 2.841 N/A ARG 251.A NH2 PRO 94.A O no hydrogen 3.034 N/A LEU 252.A N ALA 249.A O no hydrogen 2.843 N/A LYS 253.A N SER 250.A O no hydrogen 2.951 N/A GLN 255.A N ARG 251.A O no hydrogen 2.885 N/A GLN 255.A NE2 ARG 251.A O no hydrogen 3.331 N/A TYR 256.A N LEU 252.A O no hydrogen 3.176 N/A TYR 256.A OH GLU 34.A OE2 no hydrogen 2.601 N/A GLY 257.A N LYS 253.A O no hydrogen 2.909 N/A ILE 258.A N LEU 252.A O no hydrogen 3.223 N/A PHE 265.A N ARG 88.A O no hydrogen 3.011 N/A CYS 266.A N LYS 247.A O no hydrogen 2.725 N/A CYS 266.A SG ASP 248.A O no hydrogen 3.854 N/A GLU 267.A N PHE 93.A O no hydrogen 2.764 N/A ARG 268.A NH1 GLN 206.A OE1 no hydrogen 2.801 N/A ARG 270.A N ARG 204.A O no hydrogen 2.945 N/A GLY 274.A N TYR 200.A O no hydrogen 2.727 N/A PHE 277.A N THR 151.A O no hydrogen 3.079 N/A LEU 279.A N PRO 276.A O no hydrogen 3.135 N/A ASN 280.A N PRO 276.A O no hydrogen 3.170 N/A ALA 281.A N PHE 277.A O no hydrogen 2.978 N/A ILE 283.A N ASN 280.A O no hydrogen 3.080 N/A MET 284.A N ASN 280.A O no hydrogen 2.842 N/A ALA 285.A N ALA 281.A O no hydrogen 3.083 N/A VAL 286.A N ILE 283.A O no hydrogen 3.086 N/A ALA 287.A N ILE 283.A O no hydrogen 2.866 N/A GLN 288.A N MET 284.A O no hydrogen 3.147 N/A GLN 288.A NE2 ASN 292.A OD1 no hydrogen 2.917 N/A VAL 290.A N VAL 286.A O no hydrogen 3.139 N/A ARG 291.A N ALA 287.A O no hydrogen 2.904 N/A ARG 291.A NE ASP 399.A OD1 no hydrogen 2.865 N/A ARG 291.A NE ASP 399.A OD2 no hydrogen 3.388 N/A ARG 291.A NH1 GLN 288.A OE1 no hydrogen 3.211 N/A ARG 291.A NH2 GLY 396.A O no hydrogen 3.162 N/A ARG 291.A NH2 ASP 399.A OD2 no hydrogen 3.517 N/A ASN 292.A N GLN 288.A O no hydrogen 2.856 N/A LYS 293.A N PRO 289.A O no hydrogen 2.959 N/A LYS 293.A NZ SER 136.A O no hydrogen 2.794 N/A LYS 293.A NZ SER 136.A OG no hydrogen 3.007 N/A ILE 294.A N VAL 290.A O no hydrogen 3.096 N/A TYR 295.A N ARG 291.A O no hydrogen 3.113 N/A SER 296.A N ASN 292.A O no hydrogen 3.130 N/A SER 296.A N LYS 293.A O no hydrogen 3.011 N/A SER 296.A OG ASN 292.A O no hydrogen 2.871 N/A SER 296.A OG LYS 293.A O no hydrogen 2.647 N/A LYS 297.A N LYS 293.A O no hydrogen 2.923 N/A TYR 298.A N ILE 294.A O no hydrogen 3.087 N/A TYR 298.A OH ASP 437.A OD2 no hydrogen 2.986 N/A ALA 299.A N SER 296.A O no hydrogen 3.087 N/A PHE 302.A N TYR 298.A O no hydrogen 3.131 N/A PHE 302.A N ALA 299.A O no hydrogen 3.397 N/A HIS 303.A N ALA 299.A O no hydrogen 3.007 N/A HIS 304.A NE2 THR 301.A O no hydrogen 3.097 N/A HIS 304.A NE2 SER 450.A O no hydrogen 3.268 N/A THR 306.A N THR 305.A OG1 no hydrogen 2.577 N/A ARG 307.A NH2 THR 557.A O no hydrogen 2.772 N/A ASN 309.A N THR 306.A OG1 no hydrogen 2.726 N/A ASN 309.A ND2 HIS 303.A O no hydrogen 3.472 N/A ASN 309.A ND2 THR 305.A OG1 no hydrogen 2.867 N/A LYS 310.A N THR 306.A O no hydrogen 3.349 N/A LYS 310.A NZ PHE 496.A O no hydrogen 3.078 N/A LYS 310.A NZ LEU 497.A O no hydrogen 3.317 N/A LYS 310.A NZ ASP 499.A OD2 no hydrogen 2.716 N/A GLU 311.A N ARG 307.A O no hydrogen 3.044 N/A GLU 312.A N LEU 308.A O no hydrogen 2.938 N/A LYS 313.A N LYS 310.A O no hydrogen 3.020 N/A LYS 313.A NZ ALA 299.A O no hydrogen 3.215 N/A LYS 313.A NZ TYR 300.A O no hydrogen 2.802 N/A LYS 313.A NZ HIS 303.A O no hydrogen 3.231 N/A LYS 313.A NZ HIS 304.A ND1 no hydrogen 3.531 N/A VAL 314.A N LYS 310.A O no hydrogen 3.134 N/A LYS 315.A N GLU 311.A O no hydrogen 2.890 N/A LYS 315.A NZ GLU 311.A OE2 no hydrogen 3.519 N/A TRP 317.A N VAL 314.A O no hydrogen 2.763 N/A TRP 317.A NE1 TYR 300.A OH no hydrogen 3.080 N/A SER 318.A N TRP 459.A O no hydrogen 2.743 N/A LEU 319.A N TRP 459.A O no hydrogen 3.164 N/A VAL 321.A N LEU 457.A O no hydrogen 2.743 N/A THR 323.A OG1 TYR 410.A OH no hydrogen 2.846 N/A ASP 324.A N SER 489.A O no hydrogen 2.731 N/A THR 330.A OG1 ASP 327.A O no hydrogen 3.020 N/A PHE 331.A N ASP 327.A O no hydrogen 3.203 N/A PHE 331.A N HIS 328.A O no hydrogen 3.226 N/A TRP 332.A N HIS 328.A O no hydrogen 2.964 N/A TRP 332.A NE1 MET 401.A O no hydrogen 3.077 N/A TRP 335.A NE1 ALA 115.A O no hydrogen 3.073 N/A LEU 336.A N PRO 333.A O no hydrogen 3.091 N/A ARG 337.A NE ASP 338.A OD2 no hydrogen 2.976 N/A ARG 337.A NH1 LEU 361.A O no hydrogen 3.426 N/A ARG 337.A NH1 GLU 388.A OE2 no hydrogen 3.231 N/A ARG 337.A NH2 ASP 338.A OD1 no hydrogen 2.953 N/A ARG 337.A NH2 ASP 338.A OD2 no hydrogen 3.148 N/A ARG 337.A NH2 GLU 388.A OE2 no hydrogen 2.902 N/A ASP 338.A N GLY 334.A O no hydrogen 3.125 N/A LEU 339.A N TRP 335.A O no hydrogen 3.001 N/A ILE 340.A N LEU 336.A O no hydrogen 2.759 N/A CYS 341.A N ARG 337.A O no hydrogen 2.894 N/A CYS 341.A SG ARG 337.A O no hydrogen 3.653 N/A CYS 341.A SG VAL 354.A O no hydrogen 3.703 N/A ASP 342.A N ASP 338.A O no hydrogen 2.768 N/A GLU 343.A N LEU 339.A O no hydrogen 2.943 N/A LEU 344.A N ILE 340.A O no hydrogen 3.004 N/A LEU 345.A N CYS 341.A O no hydrogen 3.160 N/A ASN 346.A N ASP 342.A O no hydrogen 3.052 N/A ASN 346.A ND2 ASP 342.A OD2 no hydrogen 3.551 N/A ASN 346.A ND2 GLU 343.A OE1 no hydrogen 3.388 N/A MET 347.A N GLU 343.A O no hydrogen 2.798 N/A GLY 348.A N LEU 345.A O no hydrogen 2.855 N/A TYR 349.A N LEU 344.A O no hydrogen 2.960 N/A TYR 349.A OH PHE 135.A O no hydrogen 2.528 N/A ALA 350.A N VAL 661.A O no hydrogen 2.815 N/A TRP 353.A N ALA 350.A O no hydrogen 2.855 N/A TRP 353.A NE1 PRO 282.A O no hydrogen 3.064 N/A VAL 354.A N ALA 350.A O no hydrogen 2.992 N/A LYS 355.A N PRO 351.A O no hydrogen 3.135 N/A LYS 355.A NZ GLU 358.A OE2 no hydrogen 2.634 N/A LEU 356.A N TRP 352.A O no hydrogen 3.216 N/A PHE 357.A N TRP 353.A O no hydrogen 2.916 N/A GLU 358.A N VAL 354.A O no hydrogen 2.577 N/A THR 359.A N LYS 355.A O no hydrogen 2.905 N/A THR 359.A OG1 LYS 355.A O no hydrogen 2.938 N/A SER 360.A N LEU 356.A O no hydrogen 2.905 N/A SER 360.A OG PHE 357.A O no hydrogen 2.445 N/A LEU 361.A N GLU 358.A O no hydrogen 2.913 N/A LYS 362.A N THR 359.A O no hydrogen 2.798 N/A VAL 365.A N LEU 379.A O no hydrogen 3.115 N/A TYR 366.A N TYR 199.A O no hydrogen 2.602 N/A TYR 366.A OH SER 28.A O no hydrogen 2.672 N/A VAL 367.A N THR 377.A O no hydrogen 2.836 N/A HIS 376.A N GLY 368.A O no hydrogen 2.818 N/A HIS 376.A NE2 ARG 30.A O no hydrogen 2.578 N/A THR 377.A N VAL 367.A O no hydrogen 3.079 N/A THR 377.A OG1 GLY 375.A O no hydrogen 2.720 N/A LEU 378.A N PHE 7.A O no hydrogen 2.688 N/A LEU 379.A N VAL 365.A O no hydrogen 2.937 N/A GLY 380.A N PRO 5.A O no hydrogen 2.759 N/A SER 383.A N ASP 381.A OD2 no hydrogen 2.630 N/A SER 383.A OG ASP 187.A OD1 no hydrogen 2.798 N/A SER 383.A OG ASP 187.A OD2 no hydrogen 2.564 N/A ASN 384.A N ASP 381.A O no hydrogen 3.231 N/A LEU 387.A N LYS 362.A O no hydrogen 3.049 N/A GLU 388.A N ALA 103.A O no hydrogen 2.768 N/A LEU 391.A N ASP 329.A O no hydrogen 3.026 N/A GLN 395.A NE2 SER 360.A OG no hydrogen 3.086 N/A ALA 397.A N GLN 395.A OE1 no hydrogen 2.770 N/A LEU 400.A N ASP 399.A OD2 no hydrogen 2.600 N/A MET 401.A N ALA 397.A O no hydrogen 2.787 N/A GLY 402.A N THR 398.A O no hydrogen 3.103 N/A THR 403.A N ASP 399.A O no hydrogen 2.847 N/A THR 403.A OG1 ASP 399.A O no hydrogen 3.253 N/A LEU 404.A N LEU 400.A O no hydrogen 2.875 N/A LEU 405.A N MET 401.A O no hydrogen 3.213 N/A MET 406.A N GLY 402.A O no hydrogen 2.921 N/A SER 407.A N THR 403.A O no hydrogen 2.800 N/A ILE 408.A N LEU 404.A O no hydrogen 3.339 N/A THR 409.A N LEU 405.A O no hydrogen 2.943 N/A THR 409.A OG1 LEU 405.A O no hydrogen 2.841 N/A TYR 410.A N MET 406.A O no hydrogen 2.901 N/A TYR 410.A OH ASP 453.A O no hydrogen 2.753 N/A LEU 411.A N SER 407.A O no hydrogen 3.136 N/A VAL 412.A N ILE 408.A O no hydrogen 2.760 N/A MET 413.A N THR 409.A O no hydrogen 2.893 N/A GLN 414.A N TYR 410.A O no hydrogen 3.035 N/A GLN 414.A NE2 ARG 447.A O no hydrogen 3.065 N/A LEU 415.A N LEU 411.A O no hydrogen 2.862 N/A ASP 416.A N VAL 412.A O no hydrogen 2.877 N/A HIS 417.A N MET 413.A O no hydrogen 3.056 N/A HIS 417.A NE2 PRO 482.A O no hydrogen 3.035 N/A THR 418.A N GLN 414.A O no hydrogen 2.741 N/A THR 418.A N LEU 415.A O no hydrogen 3.240 N/A THR 418.A OG1 GLN 414.A O no hydrogen 2.709 N/A ALA 419.A N LEU 415.A O no hydrogen 3.037 N/A LEU 422.A N ALA 419.A O no hydrogen 3.011 N/A ASN 423.A N PRO 420.A O no hydrogen 2.955 N/A ARG 425.A N LEU 422.A O no hydrogen 3.171 N/A ARG 425.A NH1 GLU 444.A OE2 no hydrogen 2.639 N/A ILE 426.A N ASN 423.A O no hydrogen 2.811 N/A LYS 427.A N SER 431.A OG no hydrogen 3.047 N/A ASP 428.A N SER 431.A OG no hydrogen 2.822 N/A SER 431.A N ASP 428.A OD1 no hydrogen 2.616 N/A SER 431.A OG ASP 428.A O no hydrogen 3.052 N/A SER 431.A OG ASP 428.A OD1 no hydrogen 2.532 N/A ALA 432.A N ASP 428.A O no hydrogen 3.121 N/A CYS 433.A N MET 429.A O no hydrogen 2.829 N/A CYS 433.A SG MET 429.A O no hydrogen 3.309 N/A ARG 434.A N PRO 430.A O no hydrogen 3.033 N/A PHE 435.A N SER 431.A O no hydrogen 2.978 N/A LEU 436.A N ALA 432.A O no hydrogen 2.709 N/A ASP 437.A N CYS 433.A O no hydrogen 2.648 N/A SER 438.A N ARG 434.A O no hydrogen 3.023 N/A SER 438.A OG GLU 444.A OE2 no hydrogen 3.241 N/A TYR 439.A N PHE 435.A O no hydrogen 2.729 N/A TYR 439.A OH GLN 414.A OE1 no hydrogen 2.749 N/A TYR 439.A OH GLN 448.A OE1 no hydrogen 2.904 N/A TRP 440.A N LEU 436.A O no hydrogen 2.804 N/A TRP 440.A NE1 SER 407.A OG no hydrogen 3.022 N/A GLN 441.A N ASP 437.A O no hydrogen 3.330 N/A GLN 441.A NE2 ASP 437.A OD2 no hydrogen 3.428 N/A GLY 442.A N TYR 439.A O no hydrogen 3.017 N/A HIS 443.A N SER 438.A O no hydrogen 3.327 N/A ARG 447.A N GLY 458.A O no hydrogen 2.698 N/A ARG 447.A NE GLU 444.A O no hydrogen 2.911 N/A GLN 448.A NE2 SER 407.A OG no hydrogen 2.545 N/A GLN 448.A NE2 SER 450.A OG no hydrogen 2.743 N/A ILE 449.A N MET 456.A O no hydrogen 3.004 N/A SER 450.A N THR 301.A O no hydrogen 2.957 N/A LYS 451.A N ASP 454.A O no hydrogen 2.924 N/A LYS 451.A NZ TYR 295.A OH no hydrogen 3.371 N/A SER 452.A N THR 403.A OG1 no hydrogen 3.126 N/A SER 452.A OG ASP 399.A O no hydrogen 3.307 N/A ASP 454.A N LYS 451.A O no hydrogen 3.029 N/A MET 456.A N ILE 449.A O no hydrogen 2.918 N/A LEU 457.A N VAL 321.A O no hydrogen 2.757 N/A GLY 458.A N ARG 447.A O no hydrogen 2.849 N/A TRP 459.A N LEU 319.A O no hydrogen 3.024 N/A TRP 459.A NE1 THR 418.A OG1 no hydrogen 2.874 N/A THR 460.A N GLU 445.A O no hydrogen 2.940 N/A THR 460.A OG1 GLU 445.A O no hydrogen 3.081 N/A THR 460.A OG1 LYS 461.A O no hydrogen 3.287 N/A ALA 464.A N GLU 445.A OE1 no hydrogen 2.381 N/A GLY 468.A N ALA 464.A O no hydrogen 2.674 N/A HIS 469.A N LEU 465.A O no hydrogen 3.041 N/A ARG 470.A N VAL 466.A O no hydrogen 3.362 N/A LEU 471.A N GLY 467.A O no hydrogen 2.880 N/A PHE 472.A N GLY 468.A O no hydrogen 2.935 N/A GLU 473.A N HIS 469.A O no hydrogen 2.980 N/A MET 474.A N ARG 470.A O no hydrogen 2.686 N/A LEU 475.A N LEU 471.A O no hydrogen 2.890 N/A LYS 476.A N PHE 472.A O no hydrogen 3.124 N/A LYS 476.A N GLU 473.A O no hydrogen 3.086 N/A LYS 476.A NZ GLU 71.A O no hydrogen 3.558 N/A GLU 477.A N GLU 473.A O no hydrogen 3.087 N/A GLY 478.A N MET 474.A O no hydrogen 3.130 N/A ASN 481.A ND2 MET 486.A O no hydrogen 3.686 N/A SER 483.A N ASN 481.A OD1 no hydrogen 3.394 N/A TYR 485.A N SER 483.A OG no hydrogen 3.225 N/A TYR 485.A OH ASP 123.A OD1 no hydrogen 2.548 N/A SER 489.A N ASP 324.A O no hydrogen 3.313 N/A SER 489.A OG ASP 324.A OD2 no hydrogen 3.521 N/A GLN 491.A N ALA 322.A O no hydrogen 2.641 N/A GLN 491.A NE2 THR 323.A O no hydrogen 3.238 N/A GLN 491.A NE2 ALA 495.A O no hydrogen 2.720 N/A GLY 493.A N GLY 73.A O no hydrogen 3.038 N/A GLY 494.A N GLY 73.A O no hydrogen 2.824 N/A PHE 496.A N ASP 499.A O no hydrogen 2.991 N/A LEU 497.A N ASP 454.A OD2 no hydrogen 2.863 N/A ASP 499.A N PHE 496.A O no hydrogen 2.847 N/A ILE 500.A N VAL 515.A O no hydrogen 2.836 N/A LEU 501.A N GLY 494.A O no hydrogen 3.236 N/A LEU 502.A N ILE 513.A O no hydrogen 2.609 N/A TYR 503.A N VAL 75.A O no hydrogen 2.995 N/A ARG 506.A N ASP 504.A OD1 no hydrogen 2.796 N/A ARG 506.A NH2 SER 511.A OG no hydrogen 3.381 N/A ARG 507.A N ASP 504.A O no hydrogen 2.952 N/A ARG 507.A NH1 ASP 504.A O no hydrogen 2.874 N/A SER 511.A N GLU 508.A O no hydrogen 3.173 N/A SER 511.A OG ASP 504.A OD1 no hydrogen 3.566 N/A ALA 512.A N PRO 509.A O no hydrogen 2.832 N/A ILE 513.A N LEU 502.A O no hydrogen 2.833 N/A PHE 514.A N GLU 311.A OE1 no hydrogen 2.906 N/A VAL 515.A N ILE 500.A O no hydrogen 3.131 N/A ASN 519.A N ASN 517.A OD1 no hydrogen 2.868 N/A SER 520.A N ASN 517.A O no hydrogen 2.855 N/A LEU 522.A N ILE 518.A O no hydrogen 3.369 N/A ASN 523.A N ASN 519.A O no hydrogen 2.986 N/A ASN 524.A N SER 520.A O no hydrogen 2.862 N/A GLN 525.A N MET 521.A O no hydrogen 2.979 N/A PHE 526.A N LEU 522.A O no hydrogen 2.874 N/A SER 527.A N ASN 523.A O no hydrogen 3.003 N/A SER 527.A OG ASN 91.A OD1 no hydrogen 3.452 N/A VAL 532.A N GLU 38.A O no hydrogen 2.956 N/A SER 534.A OG GLU 38.A OE1 no hydrogen 3.024 N/A VAL 536.A N GLN 533.A O no hydrogen 2.991 N/A ARG 539.A N TYR 601.A OH no hydrogen 3.007 N/A ARG 539.A NE PRO 545.A O no hydrogen 3.074 N/A ARG 539.A NH2 PRO 545.A O no hydrogen 3.335 N/A SER 540.A N ASP 538.A OD1 no hydrogen 3.082 N/A SER 540.A OG ASP 538.A OD1 no hydrogen 2.659 N/A SER 540.A OG ASP 538.A OD2 no hydrogen 3.524 N/A LYS 541.A N ASP 538.A O no hydrogen 3.033 N/A ARG 542.A N ARG 539.A O no hydrogen 3.115 N/A ARG 542.A NE VAL 536.A O no hydrogen 2.835 N/A ARG 542.A NH2 VAL 536.A O no hydrogen 2.950 N/A LYS 543.A N GLN 533.A OE1 no hydrogen 2.601 N/A ARG 544.A NH1 THR 39.A O no hydrogen 2.960 N/A ARG 544.A NH1 TYR 530.A O no hydrogen 2.752 N/A ARG 544.A NH2 THR 39.A O no hydrogen 3.002 N/A PHE 546.A N LEU 622.A O no hydrogen 3.307 N/A GLY 548.A N ASP 594.A OD1 no hydrogen 2.702 N/A LEU 549.A N PHE 546.A O no hydrogen 3.060 N/A ALA 550.A N PRO 547.A O no hydrogen 3.154 N/A TRP 551.A N GLY 548.A O no hydrogen 3.215 N/A ALA 552.A N LEU 549.A O no hydrogen 3.010 N/A SER 553.A N ALA 550.A O no hydrogen 3.181 N/A SER 553.A OG ALA 550.A O no hydrogen 3.123 N/A SER 553.A OG GLU 620.A OE2 no hydrogen 3.092 N/A MET 554.A N TRP 551.A O no hydrogen 3.392 N/A THR 557.A N SER 553.A O no hydrogen 2.941 N/A THR 557.A OG1 SER 553.A O no hydrogen 3.067 N/A THR 557.A OG1 GLU 620.A OE2 no hydrogen 3.326 N/A TYR 558.A N MET 554.A O no hydrogen 2.817 N/A GLY 559.A N LYS 555.A O no hydrogen 2.729 N/A CYS 561.A N TYR 558.A O no hydrogen 3.165 N/A CYS 561.A SG GLY 516.A O no hydrogen 2.957 N/A CYS 561.A SG TYR 558.A O no hydrogen 3.123 N/A TYR 564.A N CYS 561.A O no hydrogen 3.205 N/A VAL 567.A N ILE 563.A O no hydrogen 2.903 N/A LEU 568.A N TYR 564.A O no hydrogen 3.053 N/A GLU 569.A N SER 565.A O no hydrogen 3.126 N/A ALA 570.A N ASP 566.A O no hydrogen 2.989 N/A ILE 571.A N VAL 567.A O no hydrogen 3.022 N/A GLU 572.A N LEU 568.A O no hydrogen 3.055 N/A ARG 573.A N GLU 569.A O no hydrogen 3.000 N/A ARG 573.A NH1 GLU 56.A OE1 no hydrogen 3.327 N/A CYS 574.A N ALA 570.A O no hydrogen 2.893 N/A CYS 574.A SG ALA 570.A O no hydrogen 3.482 N/A TRP 575.A N ILE 571.A O no hydrogen 2.659 N/A TRP 576.A N GLU 572.A O no hydrogen 2.869 N/A ASN 577.A N ARG 573.A O no hydrogen 3.064 N/A ASN 577.A ND2 GLU 56.A OE2 no hydrogen 2.907 N/A ALA 578.A N CYS 574.A O no hydrogen 3.078 N/A ALA 578.A N TRP 575.A O no hydrogen 3.023 N/A PHE 579.A N TRP 575.A O no hydrogen 2.706 N/A PHE 579.A N TRP 576.A O no hydrogen 3.373 N/A GLY 580.A N TRP 576.A O no hydrogen 2.885 N/A SER 582.A OG GLU 572.A OE2 no hydrogen 2.800 N/A ARG 584.A N GLU 572.A OE1 no hydrogen 2.892 N/A ALA 585.A N SER 582.A OG no hydrogen 2.702 N/A TYR 586.A N SER 582.A O no hydrogen 3.010 N/A ARG 587.A N TYR 583.A O no hydrogen 2.993 N/A ARG 587.A NE TYR 583.A OH no hydrogen 3.065 N/A GLU 588.A N ARG 584.A O no hydrogen 3.047 N/A ASP 589.A N ALA 585.A O no hydrogen 2.762 N/A MET 590.A N TYR 586.A O no hydrogen 3.271 N/A LEU 591.A N ARG 587.A O no hydrogen 2.545 N/A LYS 592.A N GLU 588.A O no hydrogen 3.152 N/A ARG 593.A N ASP 589.A O no hydrogen 3.004 N/A ARG 593.A NH2 GLU 41.A OE1 no hydrogen 2.901 N/A ASP 594.A N MET 590.A O no hydrogen 3.100 N/A THR 595.A N LEU 591.A O no hydrogen 3.055 N/A THR 595.A OG1 LEU 591.A O no hydrogen 2.521 N/A LEU 596.A N LYS 592.A O no hydrogen 3.004 N/A GLU 597.A N ARG 593.A O no hydrogen 3.006 N/A SER 599.A N LEU 596.A O no hydrogen 2.910 N/A SER 599.A OG LEU 596.A O no hydrogen 2.576 N/A TYR 601.A N LEU 598.A O no hydrogen 2.746 N/A VAL 602.A N LEU 598.A O no hydrogen 3.108 N/A MET 605.A N VAL 602.A O no hydrogen 2.678 N/A LEU 614.A N LEU 611.A O no hydrogen 3.308 N/A ASP 618.A N THR 615.A OG1 no hydrogen 3.359 N/A LEU 619.A N THR 615.A O no hydrogen 3.229 N/A GLU 620.A N PRO 616.A O no hydrogen 2.906 N/A VAL 621.A N ILE 617.A O no hydrogen 2.917 N/A LEU 622.A N ASP 618.A O no hydrogen 2.793 N/A ALA 623.A N LEU 619.A O no hydrogen 3.362 N/A ASP 624.A N VAL 621.A O no hydrogen 3.115 N/A LYS 627.A N ASP 624.A O no hydrogen 3.202 N/A LYS 627.A NZ ASN 524.A OD1 no hydrogen 2.892 N/A LEU 628.A N PRO 625.A O no hydrogen 2.876 N/A LYS 631.A N LYS 627.A O no hydrogen 3.351 N/A TRP 632.A N LYS 627.A O no hydrogen 2.930 N/A THR 633.A N ASP 636.A OD2 no hydrogen 3.071 N/A THR 633.A OG1 ASP 636.A OD2 no hydrogen 3.429 N/A ASP 636.A N THR 633.A O no hydrogen 2.540 N/A VAL 637.A N GLU 634.A O no hydrogen 2.732 N/A SER 638.A N ASP 618.A OD1 no hydrogen 3.188 N/A SER 638.A OG ASP 618.A OD2 no hydrogen 2.470 N/A ILE 641.A N SER 638.A O no hydrogen 2.976 N/A HIS 642.A N SER 638.A O no hydrogen 2.971 N/A VAL 644.A N ILE 641.A O no hydrogen 3.078 N/A LEU 645.A N HIS 642.A O no hydrogen 2.716 N/A MET 646.A N HIS 642.A O no hydrogen 2.741 N/A HIS 647.A N ILE 145.A O no hydrogen 2.914 N/A HIS 647.A ND1 GLY 648.A O no hydrogen 3.223 N/A SER 650.A OG GLU 652.A OE2 no hydrogen 3.193 N/A LYS 653.A N SER 650.A O no hydrogen 3.082 N/A LYS 653.A N SER 650.A OG no hydrogen 3.211 N/A LYS 653.A NZ GLU 168.A OE2 no hydrogen 3.440 N/A THR 654.A N SER 650.A O no hydrogen 3.243 N/A THR 654.A OG1 VAL 141.A O no hydrogen 3.369 N/A THR 654.A OG1 SER 650.A O no hydrogen 3.346 N/A THR 654.A OG1 VAL 651.A O no hydrogen 3.151 N/A GLU 655.A N VAL 651.A O no hydrogen 2.915 N/A ARG 656.A N GLU 652.A O no hydrogen 2.801 N/A PHE 657.A N LYS 653.A O no hydrogen 3.019 N/A LEU 658.A N THR 654.A O no hydrogen 2.653 N/A ARG 659.A N GLU 655.A O no hydrogen 3.314 N/A SER 660.A N PHE 657.A O no hydrogen 3.105 N/A SER 660.A OG PHE 657.A O no hydrogen 3.143 N/A VAL 661.A N LEU 658.A O no hydrogen 2.725 N/A MET 662.A N LEU 658.A O no hydrogen 3.104 N/A