Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4g1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ASN 464.A OD1 no hydrogen 3.081 N/A THR 2.A OG1 THR 528.A OG1 no hydrogen 2.944 N/A TYR 3.A N SER 527.A OG no hydrogen 2.811 N/A THR 4.A N ASP 7.A OD2 no hydrogen 2.835 N/A ASP 7.A N THR 4.A OG1 no hydrogen 3.155 N/A TYR 8.A N THR 4.A O no hydrogen 3.230 N/A LEU 9.A N LEU 5.A O no hydrogen 2.857 N/A LYS 10.A N THR 6.A O no hydrogen 2.785 N/A LYS 10.A NZ GLN 707.A OE1 no hydrogen 3.003 N/A ASN 11.A N TYR 8.A O no hydrogen 3.432 N/A THR 12.A N ASP 7.A O no hydrogen 2.890 N/A THR 12.A OG1 ASP 7.A OD1 no hydrogen 3.264 N/A LYS 16.A N ASN 455.A OD1 no hydrogen 2.824 N/A TYR 18.A OH TYR 28.A OH no hydrogen 3.088 N/A ARG 21.A NH2 ASP 62.A OD1 no hydrogen 3.069 N/A TRP 22.A NE1 SER 418.A O no hydrogen 2.952 N/A ILE 23.A N GLU 27.A O no hydrogen 2.974 N/A SER 24.A N GLU 27.A O no hydrogen 3.398 N/A TYR 28.A N PHE 37.A O no hydrogen 3.424 N/A TYR 28.A OH TYR 18.A OH no hydrogen 3.088 N/A LEU 29.A N ARG 21.A O no hydrogen 2.935 N/A TYR 30.A N LEU 35.A O no hydrogen 2.931 N/A GLN 32.A N ASN 33.A O no hydrogen 3.058 N/A ILE 34.A N LEU 48.A O no hydrogen 3.022 N/A LEU 35.A N TYR 30.A O no hydrogen 2.833 N/A VAL 36.A N SER 45.A O no hydrogen 3.117 N/A PHE 37.A N TYR 28.A O no hydrogen 2.802 N/A ALA 39.A N HIS 26.A O no hydrogen 3.085 N/A PHE 47.A N ILE 34.A O no hydrogen 2.756 N/A LEU 48.A N ILE 34.A O no hydrogen 3.305 N/A ASN 50.A N ASN 33.A OD1 no hydrogen 3.422 N/A SER 51.A N ASN 50.A OD1 no hydrogen 2.815 N/A THR 52.A N GLU 49.A O no hydrogen 2.931 N/A THR 52.A OG1 GLU 49.A O no hydrogen 2.635 N/A THR 52.A OG1 GLU 49.A OE1 no hydrogen 3.077 N/A ASN 61.A N GLU 75.A O no hydrogen 2.671 N/A ASN 61.A ND2 GLU 75.A OE1 no hydrogen 2.827 N/A ASP 62.A N GLU 75.A O no hydrogen 3.371 N/A TYR 63.A N ASP 62.A OD1 no hydrogen 2.778 N/A SER 64.A N LEU 73.A O no hydrogen 2.816 N/A SER 66.A N PHE 71.A O no hydrogen 2.863 N/A SER 66.A OG ASP 68.A OD2 no hydrogen 2.734 N/A SER 66.A OG PHE 71.A O no hydrogen 3.017 N/A GLY 69.A N SER 66.A O no hydrogen 2.703 N/A GLN 70.A N ASP 68.A OD2 no hydrogen 3.185 N/A PHE 71.A N SER 66.A OG no hydrogen 3.034 N/A ILE 72.A N TYR 93.A O no hydrogen 2.926 N/A LEU 73.A N SER 64.A O no hydrogen 2.540 N/A LEU 74.A N ASP 91.A O no hydrogen 2.674 N/A GLU 75.A N ASP 62.A O no hydrogen 2.870 N/A TYR 76.A N SER 89.A O no hydrogen 2.992 N/A TYR 76.A OH ASP 91.A OD2 no hydrogen 3.044 N/A ASN 77.A ND2 SER 89.A OG no hydrogen 2.939 N/A VAL 79.A N THR 87.A O no hydrogen 2.764 N/A LYS 80.A NZ GLN 81.A O no hydrogen 2.860 N/A LYS 80.A NZ TRP 82.A O no hydrogen 3.151 N/A LYS 80.A NZ ASP 697.A OD1 no hydrogen 3.409 N/A GLN 81.A N SER 85.A O no hydrogen 2.894 N/A TRP 82.A N SER 85.A OG no hydrogen 2.816 N/A ARG 83.A NE GLU 163.A OE1 no hydrogen 3.220 N/A ARG 83.A NE GLU 163.A OE2 no hydrogen 2.722 N/A ARG 83.A NH2 GLU 163.A OE1 no hydrogen 2.813 N/A ARG 83.A NH2 ASN 668.A OD1 no hydrogen 3.384 N/A HIS 84.A N GLU 162.A OE1 no hydrogen 2.781 N/A SER 85.A N GLU 162.A OE1 no hydrogen 2.702 N/A SER 85.A OG GLN 81.A OE1 no hydrogen 3.361 N/A SER 85.A OG GLU 162.A OE1 no hydrogen 3.034 N/A SER 85.A OG GLU 162.A OE2 no hydrogen 3.043 N/A TYR 86.A OH GLU 75.A OE1 no hydrogen 3.278 N/A TYR 86.A OH GLU 75.A OE2 no hydrogen 2.741 N/A THR 87.A N VAL 79.A O no hydrogen 2.917 N/A ALA 88.A N THR 110.A O no hydrogen 3.150 N/A SER 89.A N TYR 76.A O no hydrogen 2.649 N/A SER 89.A OG ASN 108.A OD1 no hydrogen 3.259 N/A TYR 90.A OH GLU 75.A OE2 no hydrogen 2.950 N/A ASP 91.A N LEU 74.A O no hydrogen 3.007 N/A TYR 93.A N ILE 72.A O no hydrogen 2.730 N/A ASP 94.A N GLN 99.A O no hydrogen 2.900 N/A LEU 95.A N GLN 70.A O no hydrogen 3.159 N/A GLN 99.A N ASP 94.A O no hydrogen 3.329 N/A ILE 101.A N ILE 92.A O no hydrogen 3.025 N/A GLU 103.A N GLU 103.A OE2 no hydrogen 2.728 N/A ARG 105.A NE ASP 91.A OD1 no hydrogen 2.994 N/A ARG 105.A NH2 ASP 91.A OD1 no hydrogen 2.725 N/A ARG 105.A NH2 ASP 91.A OD2 no hydrogen 3.145 N/A THR 110.A N ALA 88.A O no hydrogen 3.005 N/A THR 110.A OG1 PRO 107.A O no hydrogen 2.696 N/A GLN 111.A N VAL 125.A O no hydrogen 2.776 N/A GLN 111.A NE2 VAL 125.A O no hydrogen 3.169 N/A THR 114.A N ALA 123.A O no hydrogen 2.847 N/A THR 114.A OG1 TRP 115.A O no hydrogen 3.097 N/A SER 116.A N LYS 121.A O no hydrogen 2.967 N/A SER 116.A OG VAL 118.A O no hydrogen 2.648 N/A HIS 120.A ND1 ASP 68.A OD1 no hydrogen 2.649 N/A HIS 120.A NE2 GLU 135.A OE2 no hydrogen 2.710 N/A LYS 121.A N SER 116.A OG no hydrogen 3.233 N/A LYS 121.A NZ GLY 178.A O no hydrogen 2.843 N/A LYS 121.A NZ ASP 232.A OD1 no hydrogen 3.416 N/A LYS 121.A NZ ASP 232.A OD2 no hydrogen 3.074 N/A LEU 122.A N LYS 133.A O no hydrogen 2.712 N/A ALA 123.A N THR 114.A O no hydrogen 2.896 N/A TYR 124.A N TYR 131.A O no hydrogen 2.887 N/A TYR 124.A OH SER 140.A OG no hydrogen 2.936 N/A VAL 125.A N TRP 112.A O no hydrogen 2.719 N/A TRP 126.A N ASP 129.A O no hydrogen 2.910 N/A TRP 126.A NE1 ASN 108.A O no hydrogen 2.863 N/A ASP 129.A N TRP 126.A O no hydrogen 2.818 N/A ILE 130.A N THR 144.A OG1 no hydrogen 3.044 N/A TYR 131.A N TYR 124.A O no hydrogen 2.808 N/A VAL 132.A N TYR 141.A O no hydrogen 3.004 N/A LYS 133.A N LEU 122.A O no hydrogen 2.647 N/A LYS 133.A NZ GLU 104.A O no hydrogen 2.861 N/A LYS 133.A NZ LEU 138.A O no hydrogen 2.777 N/A SER 140.A OG TYR 124.A OH no hydrogen 2.936 N/A TYR 141.A N VAL 132.A O no hydrogen 2.862 N/A ARG 142.A NE THR 144.A O no hydrogen 3.067 N/A ILE 143.A N ILE 130.A O no hydrogen 2.716 N/A THR 144.A OG1 ASP 129.A OD2 no hydrogen 3.013 N/A GLY 147.A N ASP 129.A OD2 no hydrogen 2.845 N/A LYS 148.A N ILE 152.A O no hydrogen 3.208 N/A ILE 151.A N LYS 148.A O no hydrogen 2.993 N/A ILE 152.A N LYS 148.A O no hydrogen 2.776 N/A TYR 153.A N PHE 186.A O no hydrogen 2.918 N/A ASN 154.A N ASN 128.A O no hydrogen 3.224 N/A ASN 154.A ND2 ASN 128.A O no hydrogen 3.064 N/A ASN 154.A ND2 THR 146.A OG1 no hydrogen 3.175 N/A GLY 155.A N ALA 184.A O no hydrogen 3.032 N/A THR 157.A N TYR 169.A O no hydrogen 2.668 N/A THR 157.A OG1 ALA 168.A O no hydrogen 2.994 N/A THR 157.A OG1 TYR 169.A O no hydrogen 3.016 N/A TRP 159.A NE1 ASP 667.A OD2 no hydrogen 2.749 N/A TYR 161.A N ASP 158.A OD2 no hydrogen 3.032 N/A GLU 162.A N ASP 158.A O no hydrogen 3.158 N/A GLU 163.A N TRP 159.A O no hydrogen 3.192 N/A GLU 164.A N VAL 160.A O no hydrogen 2.934 N/A VAL 165.A N TYR 161.A O no hydrogen 3.124 N/A PHE 166.A N TYR 161.A O no hydrogen 2.716 N/A ALA 171.A N GLY 155.A O no hydrogen 2.646 N/A TRP 173.A N ALA 182.A O no hydrogen 2.632 N/A SER 175.A N PHE 180.A O no hydrogen 3.015 N/A GLY 178.A N SER 175.A O no hydrogen 2.634 N/A THR 179.A OG1 ASN 177.A OD1 no hydrogen 3.073 N/A THR 179.A OG1 ASP 232.A OD1 no hydrogen 3.025 N/A PHE 180.A N SER 175.A OG no hydrogen 3.030 N/A LEU 181.A N VAL 229.A O no hydrogen 2.911 N/A ALA 182.A N TRP 173.A O no hydrogen 2.750 N/A TYR 183.A N PHE 227.A O no hydrogen 2.795 N/A TYR 183.A OH SER 242.A OG no hydrogen 3.016 N/A ALA 184.A N ALA 171.A O no hydrogen 3.207 N/A GLN 185.A N LYS 225.A O no hydrogen 2.656 N/A GLN 185.A NE2 ASN 154.A OD1 no hydrogen 2.851 N/A PHE 186.A N TYR 153.A O no hydrogen 2.853 N/A ASN 187.A N THR 223.A O no hydrogen 2.965 N/A ASP 188.A N ILE 151.A O no hydrogen 2.826 N/A THR 189.A N ASN 187.A OD1 no hydrogen 3.413 N/A THR 189.A OG1 ASN 187.A OD1 no hydrogen 2.469 N/A VAL 191.A N ASP 188.A O no hydrogen 3.109 N/A ILE 194.A N VAL 212.A O no hydrogen 2.672 N/A TYR 196.A N VAL 210.A O no hydrogen 3.036 N/A PHE 198.A N LYS 208.A O no hydrogen 2.551 N/A TYR 199.A N ASP 695.A OD2 no hydrogen 2.954 N/A ASP 201.A N SER 200.A OG no hydrogen 2.629 N/A LEU 204.A N ASP 201.A O no hydrogen 2.923 N/A LYS 208.A N PHE 198.A O no hydrogen 2.695 N/A VAL 210.A N TYR 196.A O no hydrogen 2.805 N/A VAL 212.A N ILE 194.A O no hydrogen 2.853 N/A TYR 214.A N PRO 192.A O no hydrogen 2.942 N/A TYR 214.A OH ASN 668.A O no hydrogen 2.938 N/A LYS 216.A NZ TYR 619.A O no hydrogen 2.804 N/A LYS 216.A NZ HIS 670.A ND1 no hydrogen 2.823 N/A LYS 216.A NZ GLN 672.A OE1 no hydrogen 2.811 N/A ALA 217.A N TYR 620.A O no hydrogen 2.782 N/A GLY 218.A N GLU 626.A OE2 no hydrogen 2.647 N/A ALA 219.A N LYS 216.A O no hydrogen 2.760 N/A THR 223.A N ASN 187.A O no hydrogen 3.248 N/A LYS 225.A N GLN 185.A O no hydrogen 2.928 N/A PHE 227.A N TYR 183.A O no hydrogen 2.742 N/A VAL 228.A N ILE 243.A O no hydrogen 2.778 N/A VAL 229.A N LEU 181.A O no hydrogen 3.151 N/A THR 231.A N THR 179.A O no hydrogen 2.942 N/A THR 231.A OG1 GLY 178.A O no hydrogen 3.055 N/A THR 231.A OG1 THR 179.A O no hydrogen 2.510 N/A ASP 232.A N ASN 230.A OD1 no hydrogen 3.166 N/A SER 233.A N ASN 230.A O no hydrogen 3.351 N/A SER 233.A OG ASN 230.A O no hydrogen 3.478 N/A VAL 237.A N SER 235.A OG no hydrogen 2.957 N/A THR 238.A N SER 235.A OG no hydrogen 3.319 N/A SER 242.A OG TYR 183.A OH no hydrogen 3.016 N/A ILE 243.A N VAL 228.A O no hydrogen 3.009 N/A ILE 245.A N PHE 226.A O no hydrogen 3.273 N/A MET 251.A N PRO 248.A O no hydrogen 2.953 N/A LEU 252.A N PRO 248.A O no hydrogen 3.188 N/A GLY 254.A N MET 251.A O no hydrogen 3.434 N/A HIS 256.A ND1 GLY 254.A O no hydrogen 3.262 N/A TYR 257.A N LEU 274.A O no hydrogen 2.619 N/A LEU 258.A N TYR 161.A OH no hydrogen 3.310 N/A CYS 259.A N GLN 272.A O no hydrogen 2.832 N/A CYS 259.A SG GLN 272.A O no hydrogen 3.423 N/A ASP 260.A N GLN 272.A O no hydrogen 3.313 N/A THR 262.A N SER 270.A O no hydrogen 3.056 N/A THR 262.A OG1 ASP 260.A OD1 no hydrogen 2.828 N/A TRP 263.A NE1 TRP 173.A O no hydrogen 3.086 N/A ALA 264.A N ARG 268.A O no hydrogen 2.847 N/A THR 265.A N ARG 268.A O no hydrogen 3.207 N/A ARG 268.A NH1 ASN 327.A OD1 no hydrogen 3.088 N/A ARG 268.A NH2 ASN 327.A OD1 no hydrogen 3.047 N/A ILE 269.A N CYS 286.A O no hydrogen 2.883 N/A SER 270.A N THR 262.A O no hydrogen 2.765 N/A SER 270.A OG THR 262.A O no hydrogen 2.729 N/A LEU 271.A N ASP 284.A O no hydrogen 2.876 N/A GLN 272.A N ASP 260.A O no hydrogen 2.913 N/A GLN 272.A NE2 SER 318.A O no hydrogen 2.771 N/A TRP 273.A N VAL 282.A O no hydrogen 2.859 N/A LEU 274.A N TYR 257.A O no hydrogen 2.909 N/A ARG 275.A N TYR 280.A O no hydrogen 3.240 N/A ARG 275.A NE SER 250.A O no hydrogen 2.773 N/A ARG 275.A NH1 SER 250.A O no hydrogen 2.790 N/A ARG 276.A N ASP 255.A O no hydrogen 3.011 N/A ARG 276.A NE GLU 626.A OE1 no hydrogen 2.628 N/A ARG 276.A NE GLU 626.A OE2 no hydrogen 3.388 N/A ARG 276.A NH1 ALA 219.A O no hydrogen 2.659 N/A ARG 276.A NH1 GLU 626.A OE2 no hydrogen 2.651 N/A ARG 276.A NH2 ALA 219.A O no hydrogen 2.882 N/A ARG 276.A NH2 ASP 255.A OD2 no hydrogen 3.014 N/A GLN 278.A NE2 VAL 623.A O no hydrogen 2.697 N/A ASN 279.A N ILE 277.A O no hydrogen 2.920 N/A SER 281.A N GLU 305.A O no hydrogen 2.832 N/A SER 281.A OG GLU 305.A O no hydrogen 2.994 N/A VAL 282.A N TRP 273.A O no hydrogen 2.980 N/A MET 283.A N HIS 303.A O no hydrogen 2.827 N/A ASP 284.A N LEU 271.A O no hydrogen 2.736 N/A CYS 286.A N ILE 269.A O no hydrogen 2.800 N/A ASP 287.A N ASN 296.A O no hydrogen 2.968 N/A TYR 288.A N GLU 267.A O no hydrogen 2.797 N/A ASP 289.A N ARG 294.A O no hydrogen 2.798 N/A ASN 296.A N ASP 287.A O no hydrogen 3.061 N/A ARG 301.A N LEU 298.A O no hydrogen 2.793 N/A ARG 301.A NH2 ASP 287.A OD2 no hydrogen 3.479 N/A GLN 302.A N VAL 299.A O no hydrogen 3.272 N/A HIS 303.A N MET 283.A O no hydrogen 3.175 N/A HIS 303.A ND1 ARG 301.A O no hydrogen 2.789 N/A HIS 303.A NE2 GLN 346.A O no hydrogen 3.140 N/A GLU 305.A N SER 281.A O no hydrogen 2.815 N/A SER 307.A N ASN 279.A O no hydrogen 3.133 N/A TRP 311.A NE1 ARG 314.A O no hydrogen 2.804 N/A VAL 312.A N GLN 278.A O no hydrogen 2.844 N/A ARG 314.A NH1 VAL 362.A O no hydrogen 3.115 N/A ARG 314.A NH2 GLU 361.A OE2 no hydrogen 2.830 N/A ARG 314.A NH2 VAL 362.A O no hydrogen 2.747 N/A ARG 316.A NH1.A GLU 164.A O no hydrogen 2.714 N/A ARG 316.A NH2.B CYS 259.A O no hydrogen 2.984 N/A SER 318.A OG GLU 319.A O no hydrogen 3.494 N/A HIS 321.A N TYR 330.A O no hydrogen 2.711 N/A HIS 321.A NE2 GLU 319.A OE2 no hydrogen 2.934 N/A THR 323.A N SER 328.A O no hydrogen 2.837 N/A THR 323.A OG1 ASP 325.A OD2 no hydrogen 2.803 N/A THR 323.A OG1 SER 328.A O no hydrogen 2.993 N/A GLY 326.A N THR 323.A O no hydrogen 2.767 N/A ASN 327.A N ASP 325.A OD2 no hydrogen 3.469 N/A SER 328.A OG TYR 344.A OH no hydrogen 3.103 N/A SER 328.A OG GLN 346.A OE1 no hydrogen 2.908 N/A PHE 329.A N PHE 345.A O no hydrogen 3.196 N/A TYR 330.A N HIS 321.A O no hydrogen 2.883 N/A LYS 331.A N CYS 343.A O no hydrogen 3.156 N/A LYS 331.A NZ GLN 272.A OE1 no hydrogen 2.795 N/A LYS 331.A NZ GLU 305.A OE1 no hydrogen 2.539 N/A LYS 331.A NZ SER 318.A O no hydrogen 3.013 N/A ILE 333.A N HIS 341.A O no hydrogen 2.992 N/A SER 334.A OG ASP 546.A OD2 no hydrogen 2.964 N/A ASN 335.A N TYR 339.A O no hydrogen 2.680 N/A GLU 337.A N ASN 335.A OD1 no hydrogen 2.921 N/A GLY 338.A N ASN 335.A O no hydrogen 3.157 N/A TYR 339.A N ASN 335.A OD1 no hydrogen 2.981 N/A ARG 340.A N GLU 361.A OE1 no hydrogen 3.320 N/A HIS 341.A N ILE 333.A O no hydrogen 2.892 N/A HIS 341.A ND1 THR 356.A OG1 no hydrogen 2.828 N/A HIS 341.A NE2 GLY 358.A O no hydrogen 3.016 N/A ILE 342.A N THR 356.A OG1 no hydrogen 3.054 N/A CYS 343.A N LYS 331.A O no hydrogen 2.827 N/A TYR 344.A N THR 353.A O no hydrogen 2.857 N/A TYR 344.A OH SER 328.A OG no hydrogen 3.103 N/A PHE 345.A N PHE 329.A O no hydrogen 2.854 N/A ILE 347.A N ASN 327.A O no hydrogen 3.050 N/A THR 353.A N TYR 344.A O no hydrogen 3.181 N/A ILE 355.A N ILE 342.A O no hydrogen 2.973 N/A THR 356.A OG1 HIS 341.A ND1 no hydrogen 2.828 N/A GLU 361.A N ASN 378.A OD1 no hydrogen 3.071 N/A VAL 362.A N ARG 340.A O no hydrogen 2.962 N/A ILE 363.A N ILE 376.A O no hydrogen 2.669 N/A GLY 364.A N ILE 376.A O no hydrogen 3.440 N/A GLU 366.A N TYR 374.A O no hydrogen 2.676 N/A ALA 367.A N TYR 374.A O no hydrogen 3.298 N/A THR 369.A N TYR 372.A O no hydrogen 2.873 N/A THR 369.A OG1 TYR 372.A O no hydrogen 2.869 N/A ASP 371.A N THR 369.A OG1 no hydrogen 3.197 N/A TYR 372.A N THR 369.A OG1 no hydrogen 2.731 N/A LEU 373.A N ILE 392.A O no hydrogen 3.057 N/A TYR 374.A N ALA 367.A O no hydrogen 2.730 N/A TYR 375.A N TYR 390.A O no hydrogen 2.977 N/A ILE 376.A N GLY 364.A O no hydrogen 3.000 N/A SER 377.A N ASN 388.A O no hydrogen 3.147 N/A ASN 378.A N GLU 361.A O no hydrogen 3.389 N/A ASN 378.A ND2 PRO 384.A O no hydrogen 2.973 N/A ASN 378.A ND2 TYR 543.A O no hydrogen 2.982 N/A GLU 379.A N SER 377.A OG no hydrogen 3.254 N/A TYR 380.A OH GLU 406.A OE1 no hydrogen 2.996 N/A GLY 382.A N GLU 379.A O no hydrogen 2.919 N/A MET 383.A N TYR 380.A O no hydrogen 3.362 N/A GLY 386.A N MET 383.A O no hydrogen 3.013 N/A ARG 387.A N GLN 413.A O no hydrogen 2.797 N/A ARG 387.A NH1 GLN 511.A OE1 no hydrogen 3.129 N/A ARG 387.A NH2 PRO 384.A O no hydrogen 2.922 N/A ARG 387.A NH2 GLY 386.A O no hydrogen 3.003 N/A ARG 387.A NH2 GLN 511.A OE1 no hydrogen 3.355 N/A ASN 388.A N SER 377.A O no hydrogen 3.026 N/A ASN 388.A ND2 SER 404.A OG no hydrogen 2.808 N/A LEU 389.A N SER 404.A OG no hydrogen 2.973 N/A TYR 390.A N TYR 375.A O no hydrogen 2.725 N/A LYS 391.A N THR 401.A O no hydrogen 2.780 N/A LYS 391.A NZ TYR 374.A OH no hydrogen 2.862 N/A ILE 392.A N LEU 373.A O no hydrogen 2.938 N/A GLN 393.A N LYS 399.A O no hydrogen 3.018 N/A GLN 393.A NE2 SER 395.A OG no hydrogen 2.800 N/A LEU 394.A N ASP 371.A O no hydrogen 3.235 N/A THR 398.A N ASP 396.A OD2 no hydrogen 3.071 N/A LYS 399.A N ASP 396.A O no hydrogen 3.218 N/A VAL 400.A N THR 398.A O no hydrogen 3.109 N/A THR 401.A N LYS 391.A O no hydrogen 2.843 N/A CYS 402.A SG LEU 389.A O no hydrogen 3.559 N/A LEU 403.A N LEU 389.A O no hydrogen 2.936 N/A CYS 405.A SG TYR 390.A OH no hydrogen 3.482 N/A LEU 407.A N SER 404.A O no hydrogen 3.464 N/A ARG 411.A N ASN 408.A OD1 no hydrogen 3.514 N/A ARG 411.A NH2 LEU 435.A O no hydrogen 2.560 N/A ARG 411.A NH2 ASP 454.A O no hydrogen 3.392 N/A CYS 412.A N ASN 408.A O no hydrogen 2.771 N/A GLN 413.A N GLY 432.A O no hydrogen 2.746 N/A TYR 415.A N ARG 387.A O no hydrogen 2.795 N/A SER 416.A N ARG 429.A O no hydrogen 2.841 N/A SER 418.A N GLN 427.A O no hydrogen 3.060 N/A SER 420.A N TYR 425.A O no hydrogen 2.808 N/A SER 420.A OG ASP 25.A O no hydrogen 3.063 N/A SER 420.A OG ASP 25.A OD2 no hydrogen 2.998 N/A SER 420.A OG TYR 425.A O no hydrogen 3.194 N/A GLU 422.A N ASP 25.A OD2 no hydrogen 2.940 N/A ALA 423.A N SER 420.A O no hydrogen 2.681 N/A LYS 424.A N ASP 25.A OD2 no hydrogen 3.401 N/A LYS 424.A NZ TYR 425.A OH no hydrogen 3.098 N/A TYR 425.A N SER 420.A OG no hydrogen 2.962 N/A TYR 426.A N HIS 441.A O no hydrogen 2.900 N/A TYR 426.A OH ASP 446.A OD2 no hydrogen 3.200 N/A GLN 427.A N SER 418.A O no hydrogen 2.923 N/A GLN 427.A NE2 TYR 18.A O no hydrogen 2.797 N/A LEU 428.A N THR 439.A O no hydrogen 2.806 N/A ARG 429.A N SER 416.A O no hydrogen 2.674 N/A ARG 429.A NE SER 416.A OG no hydrogen 2.805 N/A ARG 429.A NH2 TYR 438.A OH no hydrogen 3.396 N/A CYS 430.A N LEU 437.A O no hydrogen 3.168 N/A CYS 430.A SG ARG 411.A O no hydrogen 3.668 N/A CYS 430.A SG GLY 432.A O no hydrogen 3.821 N/A SER 431.A N TYR 414.A O no hydrogen 2.829 N/A GLY 434.A N ARG 411.A O no hydrogen 2.862 N/A LEU 437.A N CYS 430.A O no hydrogen 3.240 N/A TYR 438.A N GLU 453.A O no hydrogen 2.817 N/A THR 439.A N LEU 428.A O no hydrogen 3.075 N/A THR 439.A OG1 HIS 441.A NE2 no hydrogen 2.788 N/A LEU 440.A N ARG 450.A O no hydrogen 3.035 N/A HIS 441.A N TYR 426.A O no hydrogen 2.758 N/A HIS 441.A NE2 THR 439.A OG1 no hydrogen 2.788 N/A SER 442.A N LYS 447.A O no hydrogen 3.293 N/A SER 443.A N LYS 424.A O no hydrogen 2.999 N/A SER 443.A OG ALA 423.A O no hydrogen 2.663 N/A SER 443.A OG LYS 424.A O no hydrogen 2.639 N/A LEU 449.A N LEU 440.A O no hydrogen 2.987 N/A ARG 450.A N LEU 440.A O no hydrogen 3.463 N/A ARG 450.A NH1 ASN 38.A O no hydrogen 3.334 N/A LEU 452.A N TYR 438.A O no hydrogen 2.801 N/A GLU 453.A N TYR 438.A O no hydrogen 3.098 N/A ASN 455.A N GLU 453.A OE1 no hydrogen 2.851 N/A ASN 455.A ND2 LYS 16.A O no hydrogen 3.201 N/A ASN 455.A ND2 PRO 436.A O no hydrogen 2.928 N/A SER 456.A N ASP 454.A OD2 no hydrogen 3.203 N/A SER 456.A OG ASP 454.A OD2 no hydrogen 3.113 N/A ASP 459.A N ASN 455.A O no hydrogen 2.932 N/A LYS 460.A N SER 456.A O no hydrogen 2.986 N/A LEU 462.A N LEU 458.A O no hydrogen 2.936 N/A ASN 464.A N MET 461.A O no hydrogen 3.327 N/A GLN 466.A N LYS 1.A O no hydrogen 2.751 N/A SER 469.A N LEU 488.A O no hydrogen 3.101 N/A LYS 470.A NZ GLN 485.A OE1 no hydrogen 3.106 N/A LYS 470.A NZ ASP 514.A O no hydrogen 3.155 N/A LYS 470.A NZ VAL 516.A O no hydrogen 2.685 N/A LYS 471.A N MET 486.A O no hydrogen 2.910 N/A ASP 473.A N TYR 484.A O no hydrogen 3.090 N/A PHE 474.A N ASP 473.A OD2 no hydrogen 2.703 N/A ILE 475.A N PHE 482.A O no hydrogen 2.784 N/A LEU 477.A N THR 480.A O no hydrogen 2.951 N/A THR 480.A N LEU 477.A O no hydrogen 2.901 N/A THR 480.A OG1 LEU 477.A O no hydrogen 3.563 N/A THR 480.A OG1 ASN 478.A O no hydrogen 3.283 N/A PHE 482.A N ILE 475.A O no hydrogen 2.800 N/A TYR 484.A N ASP 473.A O no hydrogen 2.706 N/A GLN 485.A N SER 535.A O no hydrogen 2.946 N/A MET 486.A N LYS 471.A O no hydrogen 2.809 N/A ILE 487.A N VAL 533.A O no hydrogen 2.802 N/A LEU 488.A N SER 469.A O no hydrogen 2.762 N/A ASP 493.A N TYR 498.A OH no hydrogen 3.178 N/A SER 495.A N ASP 493.A OD1 no hydrogen 2.755 N/A SER 495.A OG ASP 493.A OD1 no hydrogen 2.724 N/A LYS 496.A N ASP 493.A OD1 no hydrogen 3.299 N/A LYS 497.A NZ GLY 575.A O no hydrogen 3.008 N/A TYR 498.A N PHE 576.A O no hydrogen 2.880 N/A LEU 500.A N ARG 581.A O no hydrogen 3.075 N/A LEU 501.A N ILE 532.A O no hydrogen 2.838 N/A LEU 502.A N ALA 583.A O no hydrogen 2.673 N/A ASP 503.A N ALA 534.A O no hydrogen 2.688 N/A VAL 504.A N TRP 585.A O no hydrogen 2.998 N/A CYS 509.A N GLY 540.A O no hydrogen 2.628 N/A SER 510.A N GLY 507.A O no hydrogen 3.039 N/A SER 510.A OG GLY 507.A O no hydrogen 2.922 N/A GLN 511.A NE2 PRO 384.A O no hydrogen 2.999 N/A LYS 512.A N ASP 537.A OD1 no hydrogen 2.722 N/A LYS 512.A N ASP 537.A OD2 no hydrogen 3.188 N/A LYS 512.A NZ ASP 503.A OD1 no hydrogen 3.063 N/A LYS 512.A NZ ASP 503.A OD2 no hydrogen 3.072 N/A ALA 513.A N ASP 537.A OD2 no hydrogen 2.956 N/A ASP 514.A N GLN 485.A OE1 no hydrogen 2.984 N/A THR 515.A N GLY 385.A O no hydrogen 3.167 N/A THR 515.A OG1 GLY 385.A O no hydrogen 3.383 N/A VAL 516.A N ASP 514.A OD1 no hydrogen 3.218 N/A PHE 517.A N SER 431.A O no hydrogen 2.701 N/A ARG 518.A NH1 ASP 514.A OD2 no hydrogen 2.719 N/A ARG 518.A NH2 ASP 514.A OD1 no hydrogen 3.053 N/A ARG 518.A NH2 ASP 514.A OD2 no hydrogen 3.531 N/A ASN 520.A N THR 523.A OG1 no hydrogen 3.093 N/A TRP 521.A NE1 SER 714.A OG no hydrogen 3.100 N/A THR 523.A N ASN 520.A OD1 no hydrogen 3.377 N/A THR 523.A OG1 ARG 518.A O no hydrogen 3.164 N/A THR 523.A OG1 ASN 520.A OD1 no hydrogen 3.489 N/A TYR 524.A N ASN 520.A O no hydrogen 3.408 N/A TYR 524.A OH GLU 529.A OE1 no hydrogen 2.995 N/A LEU 525.A N TRP 521.A O no hydrogen 3.182 N/A ALA 526.A N ALA 522.A O no hydrogen 3.001 N/A SER 527.A N THR 523.A O no hydrogen 2.809 N/A SER 527.A OG GLN 466.A O no hydrogen 2.679 N/A THR 528.A N TYR 524.A O no hydrogen 2.656 N/A THR 528.A OG1 THR 2.A OG1 no hydrogen 2.944 N/A THR 528.A OG1 TYR 3.A O no hydrogen 2.684 N/A GLU 529.A N TYR 524.A O no hydrogen 3.452 N/A ILE 531.A N LEU 525.A O no hydrogen 2.904 N/A ILE 532.A N PRO 499.A O no hydrogen 3.042 N/A ALA 534.A N LEU 501.A O no hydrogen 2.844 N/A SER 535.A N GLN 485.A O no hydrogen 2.998 N/A SER 535.A OG ASP 503.A O no hydrogen 3.074 N/A ASP 537.A N TRP 483.A O no hydrogen 3.021 N/A ARG 539.A N ASP 563.A OD2 no hydrogen 2.934 N/A ARG 539.A NE ASP 563.A OD2 no hydrogen 2.963 N/A ARG 539.A NH2 ASP 563.A OD1 no hydrogen 2.716 N/A GLY 540.A N ILE 548.A O no hydrogen 2.764 N/A SER 541.A N GLY 538.A O no hydrogen 3.072 N/A SER 541.A OG GLY 538.A O no hydrogen 2.565 N/A GLY 542.A N SER 510.A O no hydrogen 2.995 N/A GLN 544.A NE2 GLY 542.A O no hydrogen 3.240 N/A ASP 546.A N GLY 338.A O no hydrogen 2.825 N/A MET 549.A N GLY 545.A O no hydrogen 3.048 N/A HIS 550.A N ASP 546.A O no hydrogen 2.694 N/A ALA 551.A N ILE 548.A O no hydrogen 3.451 N/A ASN 553.A N HIS 550.A O no hydrogen 2.839 N/A ARG 554.A N TYR 628.A O no hydrogen 2.541 N/A ARG 555.A N ILE 552.A O no hydrogen 2.951 N/A GLY 557.A N GLU 560.A OE2 no hydrogen 2.691 N/A THR 558.A N GLU 560.A OE1 no hydrogen 3.017 N/A THR 558.A OG1 ARG 555.A O no hydrogen 2.396 N/A GLU 560.A N GLU 560.A OE1 no hydrogen 2.628 N/A GLU 562.A N THR 558.A O no hydrogen 2.939 N/A ASP 563.A N PHE 559.A O no hydrogen 3.133 N/A GLN 564.A NE2 PHE 536.A O no hydrogen 2.927 N/A ILE 565.A N VAL 561.A O no hydrogen 3.391 N/A GLU 566.A N GLU 562.A O no hydrogen 2.877 N/A ALA 567.A N ASP 563.A O no hydrogen 2.847 N/A ALA 568.A N GLN 564.A O no hydrogen 3.115 N/A ARG 569.A N ILE 565.A O no hydrogen 3.000 N/A ARG 569.A NE GLU 566.A OE1 no hydrogen 3.273 N/A GLN 570.A N GLU 566.A O no hydrogen 2.777 N/A GLN 570.A NE2 GLU 566.A OE2 no hydrogen 2.814 N/A PHE 571.A N ALA 567.A O no hydrogen 2.821 N/A SER 572.A N ALA 568.A O no hydrogen 3.118 N/A SER 572.A OG ALA 568.A O no hydrogen 3.268 N/A MET 574.A N PHE 571.A O no hydrogen 3.128 N/A ASP 578.A N TYR 498.A O no hydrogen 2.597 N/A LYS 580.A N ASP 578.A OD2 no hydrogen 3.447 N/A ARG 581.A N ASP 578.A O no hydrogen 3.101 N/A ARG 581.A NE ASP 578.A OD1 no hydrogen 2.781 N/A ARG 581.A NH1 PHE 721.A O no hydrogen 2.793 N/A ALA 583.A N LEU 500.A O no hydrogen 2.838 N/A ILE 584.A N CYS 607.A O no hydrogen 3.172 N/A TRP 585.A N LEU 502.A O no hydrogen 3.091 N/A GLY 586.A N ILE 609.A O no hydrogen 3.039 N/A TRP 587.A NE1 HIS 698.A O no hydrogen 2.797 N/A SER 588.A N VAL 611.A O no hydrogen 2.898 N/A SER 588.A OG HIS 698.A NE2 no hydrogen 2.670 N/A TYR 589.A OH GLU 560.A OE2 no hydrogen 2.733 N/A TYR 592.A N SER 588.A O no hydrogen 3.266 N/A TYR 592.A OH SER 644.A O no hydrogen 2.715 N/A VAL 593.A N TYR 589.A O no hydrogen 2.987 N/A THR 594.A N GLY 590.A O no hydrogen 2.757 N/A THR 594.A OG1 GLY 590.A O no hydrogen 2.610 N/A SER 595.A N GLY 591.A O no hydrogen 2.937 N/A SER 595.A OG GLY 591.A O no hydrogen 2.833 N/A SER 595.A OG TYR 658.A OH no hydrogen 2.632 N/A MET 596.A N TYR 592.A O no hydrogen 2.847 N/A VAL 597.A N VAL 593.A O no hydrogen 2.710 N/A LEU 598.A N THR 594.A O no hydrogen 2.917 N/A GLY 599.A N SER 595.A O no hydrogen 2.796 N/A SER 600.A N VAL 597.A O no hydrogen 3.255 N/A SER 600.A OG VAL 597.A O no hydrogen 2.807 N/A SER 602.A N SER 600.A OG no hydrogen 3.243 N/A VAL 604.A N SER 602.A OG no hydrogen 3.190 N/A LYS 606.A N ILE 582.A O no hydrogen 2.779 N/A LYS 606.A NZ GLU 657.A OE1 no hydrogen 2.763 N/A LYS 606.A NZ GLU 657.A OE2 no hydrogen 3.408 N/A LYS 606.A NZ CYS 720.A O no hydrogen 3.430 N/A GLY 608.A N GLU 657.A O no hydrogen 2.836 N/A ILE 609.A N ILE 584.A O no hydrogen 2.860 N/A ALA 610.A N LEU 659.A O no hydrogen 2.961 N/A VAL 611.A N GLY 586.A O no hydrogen 2.893 N/A ALA 612.A N ILE 661.A O no hydrogen 2.673 N/A SER 615.A N GLN 673.A OE1 no hydrogen 2.680 N/A SER 615.A OG GLN 673.A O no hydrogen 2.941 N/A SER 615.A OG GLN 673.A OE1 no hydrogen 3.316 N/A ARG 616.A N GLN 673.A OE1 no hydrogen 3.295 N/A GLU 618.A N GLU 618.A OE1 no hydrogen 2.966 N/A TYR 619.A N ARG 616.A O no hydrogen 3.041 N/A TYR 620.A N TRP 617.A O no hydrogen 3.250 N/A TYR 620.A OH GLU 164.A OE2 no hydrogen 3.148 N/A SER 622.A N PRO 215.A O no hydrogen 2.685 N/A SER 622.A OG PRO 215.A O no hydrogen 3.406 N/A SER 622.A OG ASN 221.A OD1 no hydrogen 2.718 N/A TYR 624.A N ASP 621.A OD1 no hydrogen 3.178 N/A THR 625.A N ASP 621.A O no hydrogen 3.268 N/A THR 625.A OG1 ASP 621.A O no hydrogen 2.664 N/A GLU 626.A N SER 622.A O no hydrogen 2.776 N/A ARG 627.A N VAL 623.A O no hydrogen 3.266 N/A ARG 627.A N TYR 624.A O no hydrogen 3.254 N/A ARG 627.A NE GLN 278.A OE1 no hydrogen 3.124 N/A ARG 627.A NH1 TYR 628.A OH no hydrogen 2.970 N/A ARG 627.A NH2 GLU 164.A O no hydrogen 3.452 N/A TYR 628.A N THR 625.A O no hydrogen 3.168 N/A MET 629.A N THR 625.A O no hydrogen 2.762 N/A GLY 630.A N GLU 626.A O no hydrogen 3.135 N/A LEU 631.A N ASP 636.A OD1 no hydrogen 2.792 N/A THR 633.A OG1 GLU 635.A OE1 no hydrogen 3.359 N/A ASP 636.A N THR 633.A O no hydrogen 2.864 N/A ASN 637.A N LEU 631.A O no hydrogen 3.263 N/A ASN 637.A ND2 ARG 554.A O no hydrogen 3.312 N/A ASN 637.A ND2 MET 629.A O no hydrogen 2.603 N/A LEU 638.A N THR 633.A O no hydrogen 3.292 N/A HIS 640.A NE2 LEU 556.A O no hydrogen 2.644 N/A TYR 641.A N ASN 637.A O no hydrogen 3.289 N/A TYR 641.A OH GLY 630.A O no hydrogen 2.477 N/A ARG 642.A N LEU 638.A O no hydrogen 3.040 N/A ARG 642.A NE GLU 618.A OE2 no hydrogen 3.478 N/A ASN 643.A N ASP 639.A O no hydrogen 3.113 N/A ASN 643.A ND2 ASP 639.A O no hydrogen 3.017 N/A SER 644.A OG HIS 640.A O no hydrogen 2.899 N/A SER 644.A OG TYR 641.A O no hydrogen 3.534 N/A THR 645.A OG1 SER 648.A OG no hydrogen 2.934 N/A VAL 646.A N SER 615.A O no hydrogen 3.022 N/A SER 648.A N THR 645.A OG1 no hydrogen 3.242 N/A SER 648.A OG THR 645.A O no hydrogen 2.676 N/A SER 648.A OG THR 645.A OG1 no hydrogen 2.934 N/A ARG 649.A N VAL 646.A O no hydrogen 2.788 N/A ARG 649.A NH1 MET 596.A O no hydrogen 2.767 N/A ALA 650.A N MET 647.A O no hydrogen 3.125 N/A ASN 652.A N ARG 649.A O no hydrogen 2.903 N/A ASN 652.A ND2 GLY 599.A O no hydrogen 2.490 N/A PHE 653.A N ALA 650.A O no hydrogen 3.057 N/A LYS 654.A N GLU 651.A O no hydrogen 3.458 N/A LYS 654.A NZ GLU 651.A OE1 no hydrogen 2.726 N/A LYS 654.A NZ VAL 684.A O no hydrogen 3.104 N/A GLN 655.A N ASN 652.A O no hydrogen 3.174 N/A VAL 656.A N PHE 653.A O no hydrogen 3.137 N/A GLU 657.A N LYS 606.A O no hydrogen 2.975 N/A TYR 658.A OH SER 595.A OG no hydrogen 2.632 N/A LEU 659.A N GLY 608.A O no hydrogen 2.955 N/A LEU 660.A N GLN 689.A O no hydrogen 2.785 N/A ILE 661.A N ALA 610.A O no hydrogen 2.904 N/A HIS 662.A N MET 691.A O no hydrogen 3.033 N/A HIS 662.A ND1 SER 674.A OG no hydrogen 2.669 N/A HIS 662.A NE2 VAL 669.A O no hydrogen 2.542 N/A THR 664.A N TYR 693.A O no hydrogen 2.940 N/A ALA 665.A N GLU 696.A O no hydrogen 3.096 N/A ASN 668.A N ASP 666.A OD2 no hydrogen 2.857 N/A ASN 668.A ND2 TYR 620.A OH no hydrogen 2.800 N/A VAL 669.A N ASP 666.A OD2 no hydrogen 2.878 N/A GLN 673.A N HIS 670.A O no hydrogen 2.807 N/A SER 674.A OG HIS 662.A ND1 no hydrogen 2.669 N/A ALA 675.A N PHE 671.A O no hydrogen 2.937 N/A GLN 676.A N GLN 672.A O no hydrogen 2.948 N/A ILE 677.A N GLN 673.A O no hydrogen 3.350 N/A SER 678.A N SER 674.A O no hydrogen 2.839 N/A SER 678.A OG SER 674.A O no hydrogen 3.226 N/A SER 678.A OG ALA 675.A O no hydrogen 2.838 N/A LYS 679.A N ALA 675.A O no hydrogen 3.153 N/A LYS 679.A NZ GLN 676.A OE1 no hydrogen 2.719 N/A ALA 680.A N GLN 676.A O no hydrogen 3.104 N/A LEU 681.A N ILE 677.A O no hydrogen 2.863 N/A VAL 682.A N SER 678.A O no hydrogen 2.838 N/A ASP 683.A N LYS 679.A O no hydrogen 2.871 N/A VAL 684.A N ALA 680.A O no hydrogen 3.261 N/A GLY 685.A N VAL 682.A O no hydrogen 3.200 N/A VAL 686.A N LEU 681.A O no hydrogen 2.875 N/A GLN 689.A N TYR 658.A O no hydrogen 2.808 N/A TYR 693.A N HIS 662.A O no hydrogen 2.853 N/A TYR 693.A OH HIS 708.A ND1 no hydrogen 2.818 N/A ASP 695.A N THR 664.A OG1 no hydrogen 2.703 N/A GLU 696.A N TYR 693.A O no hydrogen 3.104 N/A HIS 698.A ND1 ASP 666.A OD1 no hydrogen 2.743 N/A HIS 698.A NE2 SER 588.A OG no hydrogen 2.670 N/A GLY 699.A N ASP 697.A OD2 no hydrogen 3.153 N/A ILE 700.A N ASP 697.A O no hydrogen 3.115 N/A SER 702.A N GLU 696.A OE2 no hydrogen 3.306 N/A SER 702.A OG GLU 696.A OE1 no hydrogen 2.609 N/A SER 702.A OG GLU 696.A OE2 no hydrogen 3.272 N/A HIS 706.A N SER 702.A O no hydrogen 2.787 N/A GLN 707.A N SER 703.A O no hydrogen 3.257 N/A HIS 708.A N THR 704.A O no hydrogen 2.974 N/A HIS 708.A ND1 TYR 693.A OH no hydrogen 2.818 N/A ILE 709.A N ALA 705.A O no hydrogen 2.824 N/A TYR 710.A N HIS 706.A O no hydrogen 3.316 N/A THR 711.A N GLN 707.A O no hydrogen 3.150 N/A THR 711.A OG1 GLN 707.A O no hydrogen 2.614 N/A HIS 712.A N HIS 708.A O no hydrogen 2.893 N/A MET 713.A N ILE 709.A O no hydrogen 2.758 N/A SER 714.A N TYR 710.A O no hydrogen 2.840 N/A SER 714.A OG TYR 710.A O no hydrogen 2.641 N/A HIS 715.A N THR 711.A O no hydrogen 3.109 N/A PHE 716.A N HIS 712.A O no hydrogen 3.186 N/A ILE 717.A N MET 713.A O no hydrogen 2.827 N/A LYS 718.A N SER 714.A O no hydrogen 2.870 N/A LYS 718.A NZ PRO 724.A O no hydrogen 3.109 N/A GLN 719.A N HIS 715.A O no hydrogen 2.703 N/A CYS 720.A N PHE 716.A O no hydrogen 2.863 N/A CYS 720.A SG GLU 657.A OE1 no hydrogen 3.650 N/A PHE 721.A N ILE 717.A O no hydrogen 2.822 N/A LEU 723.A N LYS 718.A O no hydrogen 2.850 N/A