Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2dki_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 ASP 555.A OD1 no hydrogen 3.320 N/A GLN 2.A NE2 ASP 555.A OD2 no hydrogen 3.130 N/A GLY 7.A N HIS 4.A O no hydrogen 3.369 N/A ARG 9.A N HIS 4.A ND1 no hydrogen 3.052 N/A ARG 9.A NH1 PRO 13.A O no hydrogen 3.391 N/A ARG 9.A NH2 ILE 15.A O no hydrogen 2.833 N/A LEU 14.A N ASN 12.A OD1 no hydrogen 3.107 N/A ILE 15.A N ASN 12.A O no hydrogen 3.053 N/A ALA 16.A N ASN 153.A O no hydrogen 2.857 N/A SER 19.A N PRO 155.A O no hydrogen 2.823 N/A LEU 21.A N SER 19.A OG no hydrogen 3.127 N/A ALA 22.A N SER 19.A O no hydrogen 3.154 N/A THR 26.A OG1 ALA 28.A O no hydrogen 2.505 N/A VAL 29.A N GLU 196.A OE1 no hydrogen 3.109 N/A VAL 33.A N GLN 199.A O no hydrogen 2.825 N/A ASP 34.A N ARG 58.A O no hydrogen 2.839 N/A VAL 35.A N ARG 58.A O no hydrogen 3.084 N/A LEU 36.A N TYR 202.A O no hydrogen 2.996 N/A ILE 37.A N CYS 60.A O no hydrogen 2.763 N/A VAL 38.A N VAL 204.A O no hydrogen 2.953 N/A GLY 39.A N VAL 62.A O no hydrogen 2.651 N/A CYS 40.A N GLU 63.A OE2 no hydrogen 2.805 N/A LEU 45.A N GLY 41.A O no hydrogen 2.917 N/A THR 46.A N PRO 42.A O no hydrogen 2.994 N/A THR 46.A OG1 PRO 42.A O no hydrogen 2.658 N/A THR 46.A OG1 TYR 147.A OH no hydrogen 2.835 N/A LEU 47.A N ALA 43.A O no hydrogen 3.015 N/A ALA 48.A N GLY 44.A O no hydrogen 2.895 N/A ALA 49.A N LEU 45.A O no hydrogen 2.914 N/A GLN 50.A N THR 46.A O no hydrogen 3.134 N/A GLN 50.A NE2 GLN 50.A O no hydrogen 2.759 N/A GLN 50.A NE2 ALA 471.A O no hydrogen 3.120 N/A LEU 51.A N LEU 47.A O no hydrogen 2.977 N/A ALA 52.A N ALA 48.A O no hydrogen 2.866 N/A ALA 53.A N GLN 50.A O no hydrogen 3.408 N/A PHE 54.A N LEU 51.A O no hydrogen 3.066 N/A ILE 57.A N PHE 54.A O no hydrogen 2.972 N/A ARG 58.A N ASP 34.A OD1 no hydrogen 2.740 N/A ARG 58.A NH2 LEU 21.A O no hydrogen 2.642 N/A CYS 60.A N VAL 35.A O no hydrogen 2.894 N/A CYS 60.A SG HIS 161.A ND1 no hydrogen 3.664 N/A VAL 62.A N ILE 37.A O no hydrogen 2.885 N/A GLU 63.A N HIS 161.A O no hydrogen 3.280 N/A LYS 65.A N GLU 63.A OE1 no hydrogen 2.758 N/A GLY 72.A N ASN 139.A OD1 no hydrogen 3.078 N/A GLN 73.A NE2 GLN 140.A OE1 no hydrogen 3.232 N/A ALA 74.A N GLN 140.A OE1 no hydrogen 3.084 N/A ILE 77.A N VAL 136.A O no hydrogen 2.720 N/A ALA 78.A N ASN 353.A OD1 no hydrogen 2.858 N/A CYS 79.A SG THR 126.A OG1 no hydrogen 3.645 N/A CYS 79.A SG PHE 133.A O no hydrogen 3.569 N/A ARG 80.A N ALA 419.A O no hydrogen 2.926 N/A ARG 80.A NE TYR 592.A OH no hydrogen 3.321 N/A ARG 80.A NH1 GLN 591.A OE1 no hydrogen 3.126 N/A ARG 80.A NH2 ARG 80.A O no hydrogen 2.932 N/A ARG 80.A NH2 GLN 591.A OE1 no hydrogen 2.901 N/A THR 81.A OG1 ASN 353.A OD1 no hydrogen 2.485 N/A MET 82.A N ALA 78.A O no hydrogen 2.866 N/A GLU 83.A N CYS 79.A O no hydrogen 2.964 N/A MET 84.A N ARG 80.A O no hydrogen 3.088 N/A PHE 85.A N THR 81.A O no hydrogen 2.876 N/A GLU 86.A N MET 82.A O no hydrogen 2.885 N/A ALA 87.A N GLU 83.A O no hydrogen 3.120 N/A PHE 88.A N MET 84.A O no hydrogen 3.090 N/A PHE 88.A N PHE 85.A O no hydrogen 2.946 N/A GLU 89.A N GLU 86.A O no hydrogen 2.897 N/A PHE 90.A N PHE 85.A O no hydrogen 3.104 N/A SER 93.A N ASP 92.A OD2 no hydrogen 2.499 N/A ILE 94.A N PHE 90.A O no hydrogen 3.273 N/A LEU 95.A N ALA 91.A O no hydrogen 2.950 N/A LYS 96.A N ASP 92.A O no hydrogen 3.217 N/A LYS 96.A N SER 93.A O no hydrogen 3.239 N/A GLU 97.A N SER 93.A O no hydrogen 3.225 N/A GLU 97.A N ILE 94.A O no hydrogen 3.319 N/A ALA 98.A N ILE 94.A O no hydrogen 2.766 N/A CYS 99.A N ILE 137.A O no hydrogen 2.946 N/A CYS 99.A SG TRP 100.A O no hydrogen 3.667 N/A CYS 99.A SG PRO 261.A O no hydrogen 3.697 N/A TRP 100.A NE1 LEU 95.A O no hydrogen 2.938 N/A ILE 101.A N HIS 135.A O no hydrogen 3.016 N/A VAL 104.A N VAL 123.A O no hydrogen 3.019 N/A THR 105.A N LYS 247.A O no hydrogen 3.070 N/A THR 105.A OG1 ASP 243.A OD1 no hydrogen 2.859 N/A PHE 106.A N GLY 121.A O no hydrogen 2.932 N/A TRP 107.A N ALA 249.A O no hydrogen 2.944 N/A TRP 107.A NE1 ASP 243.A OD1 no hydrogen 2.763 N/A LYS 108.A N ALA 118.A O no hydrogen 3.201 N/A ASP 110.A N ARG 116.A O no hydrogen 2.635 N/A GLY 112.A N ASP 110.A OD1 no hydrogen 2.820 N/A GLN 113.A N ASP 110.A OD1 no hydrogen 2.988 N/A ALA 118.A N LYS 108.A O no hydrogen 2.949 N/A ARG 119.A NE ASP 243.A OD1 no hydrogen 2.848 N/A ARG 119.A NH2 ASP 243.A OD2 no hydrogen 3.025 N/A HIS 120.A N PHE 106.A O no hydrogen 2.770 N/A GLY 121.A N PHE 106.A O no hydrogen 3.213 N/A ARG 122.A NH2 ASP 103.A OD1 no hydrogen 3.346 N/A VAL 123.A N VAL 104.A O no hydrogen 2.965 N/A GLN 124.A NE2 THR 126.A O no hydrogen 2.970 N/A GLN 124.A NE2 ASP 128.A OD2 no hydrogen 2.799 N/A ASP 125.A N ASN 102.A O no hydrogen 2.797 N/A LEU 130.A N GLU 127.A O no hydrogen 3.213 N/A SER 131.A OG GLU 83.A OE1 no hydrogen 2.669 N/A SER 131.A OG PHE 133.A O no hydrogen 3.417 N/A GLU 132.A N GLU 132.A OE2 no hydrogen 2.613 N/A PHE 133.A N SER 131.A OG no hydrogen 3.238 N/A HIS 135.A ND1 ASP 125.A OD2 no hydrogen 2.976 N/A VAL 136.A N ILE 77.A O no hydrogen 2.985 N/A ILE 137.A N CYS 99.A O no hydrogen 2.903 N/A LEU 138.A N ASP 75.A O no hydrogen 2.914 N/A ASN 139.A ND2 GLU 70.A O no hydrogen 3.001 N/A GLN 140.A N ALA 74.A O no hydrogen 3.233 N/A GLN 140.A NE2 HIS 144.A NE2 no hydrogen 2.958 N/A ALA 141.A N ASN 139.A OD1 no hydrogen 3.026 N/A ARG 142.A N ASN 139.A O no hydrogen 2.809 N/A ARG 142.A NE GLU 97.A OE1 no hydrogen 2.683 N/A ARG 142.A NE GLU 97.A OE2 no hydrogen 3.245 N/A ARG 142.A NH1 GLU 97.A OE2 no hydrogen 2.795 N/A ARG 142.A NH2 ASP 145.A OD2 no hydrogen 2.916 N/A HIS 144.A N GLN 140.A O no hydrogen 3.023 N/A ASP 145.A N ALA 141.A O no hydrogen 2.849 N/A HIS 146.A N ARG 142.A O no hydrogen 3.083 N/A TYR 147.A N VAL 143.A O no hydrogen 3.079 N/A TYR 147.A OH THR 46.A OG1 no hydrogen 2.835 N/A LEU 148.A N HIS 144.A O no hydrogen 2.748 N/A GLU 149.A N ASP 145.A O no hydrogen 2.859 N/A GLU 149.A N HIS 146.A O no hydrogen 3.239 N/A ARG 150.A N HIS 146.A O no hydrogen 2.885 N/A ARG 150.A NE GLU 149.A OE2 no hydrogen 3.547 N/A ARG 150.A NH2 LEU 14.A O no hydrogen 3.216 N/A ARG 150.A NH2 GLU 149.A OE2 no hydrogen 3.500 N/A MET 151.A N TYR 147.A O no hydrogen 2.852 N/A ARG 152.A N LEU 148.A O no hydrogen 3.112 N/A ASN 153.A N GLU 149.A O no hydrogen 2.760 N/A SER 154.A N MET 151.A O no hydrogen 3.435 N/A SER 154.A OG ALA 52.A O no hydrogen 3.094 N/A SER 154.A OG MET 151.A O no hydrogen 2.708 N/A SER 156.A N SER 154.A OG no hydrogen 3.187 N/A SER 156.A OG ALA 52.A O no hydrogen 2.506 N/A ARG 157.A N SER 154.A O no hydrogen 3.011 N/A ARG 157.A NH1 ALA 16.A O no hydrogen 2.791 N/A ARG 157.A NH2 ALA 16.A O no hydrogen 2.814 N/A ARG 157.A NH2 SER 154.A O no hydrogen 2.733 N/A LEU 158.A N MET 151.A O no hydrogen 3.004 N/A HIS 161.A N ILE 61.A O no hydrogen 3.007 N/A HIS 161.A NE2 THR 26.A O no hydrogen 2.673 N/A ALA 163.A N LYS 65.A O no hydrogen 2.896 N/A ARG 164.A N GLU 63.A O no hydrogen 3.002 N/A ARG 164.A NE GLU 196.A OE2 no hydrogen 2.828 N/A ARG 164.A NH1 GLU 27.A O no hydrogen 2.941 N/A ARG 164.A NH1 GLU 196.A OE1 no hydrogen 3.037 N/A ARG 164.A NH1 GLU 196.A OE2 no hydrogen 3.477 N/A ARG 164.A NH2 TYR 162.A O no hydrogen 3.128 N/A ARG 165.A N GLU 185.A O no hydrogen 2.886 N/A ARG 165.A NH2 GLN 64.A OE1 no hydrogen 2.699 N/A LEU 167.A N THR 183.A O no hydrogen 2.692 N/A ASP 168.A N THR 183.A O no hydrogen 3.303 N/A LYS 170.A N THR 181.A O no hydrogen 3.015 N/A ASP 172.A N PRO 179.A O no hydrogen 2.812 N/A GLY 174.A N ASP 172.A OD2 no hydrogen 2.984 N/A ALA 175.A N ASP 172.A O no hydrogen 2.923 N/A TYR 178.A N ASP 177.A OD1 no hydrogen 2.897 N/A VAL 180.A N ALA 200.A O no hydrogen 2.937 N/A THR 181.A N LYS 170.A O no hydrogen 2.844 N/A THR 181.A OG1 GLN 199.A OE1 no hydrogen 2.797 N/A VAL 182.A N VAL 198.A O no hydrogen 2.760 N/A THR 183.A N ASP 168.A O no hydrogen 2.820 N/A LEU 184.A N GLU 196.A O no hydrogen 2.622 N/A GLU 185.A N ARG 165.A O no hydrogen 2.888 N/A ARG 186.A N GLN 194.A O no hydrogen 2.813 N/A ARG 186.A NH1 GLU 27.A OE2 no hydrogen 3.342 N/A ARG 186.A NH2 GLU 27.A OE1 no hydrogen 3.185 N/A ARG 186.A NH2 GLU 27.A OE2 no hydrogen 3.194 N/A CYS 187.A N ALA 163.A O no hydrogen 2.804 N/A CYS 187.A SG GLU 185.A O no hydrogen 3.386 N/A HIS 191.A N ASP 188.A O no hydrogen 2.732 N/A HIS 191.A ND1 ASP 188.A OD1 no hydrogen 2.504 N/A GLY 193.A N ARG 186.A O no hydrogen 3.180 N/A GLN 194.A N HIS 191.A O no hydrogen 2.804 N/A GLU 196.A N LEU 184.A O no hydrogen 2.600 N/A VAL 198.A N VAL 182.A O no hydrogen 2.836 N/A GLN 199.A N SER 31.A O no hydrogen 2.769 N/A ALA 200.A N VAL 180.A O no hydrogen 2.681 N/A ARG 201.A N VAL 33.A O no hydrogen 3.292 N/A ARG 201.A N ASP 34.A O no hydrogen 3.239 N/A TYR 202.A N ASP 34.A O no hydrogen 3.004 N/A VAL 203.A N ARG 333.A O no hydrogen 3.138 N/A VAL 204.A N LEU 36.A O no hydrogen 2.835 N/A GLY 205.A N PHE 335.A O no hydrogen 2.733 N/A CYS 206.A N VAL 38.A O no hydrogen 2.872 N/A CYS 206.A SG VAL 204.A O no hydrogen 4.011 N/A ASP 207.A N ASP 207.A OD1 no hydrogen 2.459 N/A SER 211.A N GLY 208.A O no hydrogen 2.875 N/A SER 211.A OG ASP 207.A OD1 no hydrogen 2.597 N/A SER 211.A OG ASP 207.A OD2 no hydrogen 2.856 N/A ASN 212.A N ASP 207.A OD2 no hydrogen 2.800 N/A ASN 212.A ND2 VAL 166.A O no hydrogen 3.138 N/A VAL 213.A N ASP 207.A OD2 no hydrogen 3.047 N/A ARG 214.A N SER 211.A OG no hydrogen 3.094 N/A ARG 214.A NH1 ALA 209.A O no hydrogen 2.793 N/A ARG 214.A NH1 ALA 340.A O no hydrogen 3.263 N/A ARG 214.A NH2 ALA 209.A O no hydrogen 3.457 N/A ARG 215.A NE SER 211.A O no hydrogen 3.205 N/A ARG 215.A NH2 ARG 210.A O no hydrogen 2.690 N/A ALA 216.A N ASN 212.A O no hydrogen 2.795 N/A ILE 217.A N VAL 213.A O no hydrogen 3.217 N/A ILE 217.A N ARG 214.A O no hydrogen 3.099 N/A GLY 218.A N ARG 215.A O no hydrogen 3.321 N/A ARG 219.A N ARG 214.A O no hydrogen 3.177 N/A ARG 219.A NE ASP 318.A O no hydrogen 2.808 N/A ARG 219.A NH1 ASP 318.A O no hydrogen 2.937 N/A ARG 219.A NH1 VAL 320.A O no hydrogen 2.583 N/A VAL 222.A N ILE 313.A O no hydrogen 3.004 N/A ASP 224.A N GLN 311.A O no hydrogen 3.385 N/A GLN 228.A N ASN 227.A OD1 no hydrogen 2.976 N/A TRP 230.A N TYR 307.A O no hydrogen 2.794 N/A TRP 230.A NE1 GLN 228.A OE1 no hydrogen 2.906 N/A GLY 231.A N VAL 272.A O no hydrogen 2.754 N/A VAL 232.A N SER 305.A O no hydrogen 2.968 N/A MET 233.A N PHE 270.A O no hydrogen 3.034 N/A ASP 234.A N TRP 303.A O no hydrogen 2.733 N/A VAL 235.A N VAL 268.A O no hydrogen 2.826 N/A LEU 236.A N ASN 300.A O no hydrogen 2.818 N/A VAL 238.A N GLU 297.A O no hydrogen 2.894 N/A THR 239.A OG1 LYS 295.A O no hydrogen 2.742 N/A PHE 241.A N THR 239.A OG1 no hydrogen 2.964 N/A ARG 245.A NH1 LEU 267.A O no hydrogen 3.022 N/A ARG 245.A NH2 ARG 262.A O no hydrogen 2.809 N/A TYR 246.A N ASP 243.A O no hydrogen 2.972 N/A VAL 248.A N ILE 259.A O no hydrogen 2.879 N/A ALA 249.A N THR 105.A O no hydrogen 3.089 N/A ILE 250.A N VAL 257.A O no hydrogen 2.641 N/A GLN 251.A N TRP 107.A O no hydrogen 2.826 N/A SER 252.A N GLY 255.A O no hydrogen 2.915 N/A SER 252.A OG GLY 255.A O no hydrogen 2.694 N/A GLN 254.A N SER 252.A OG no hydrogen 3.220 N/A GLN 254.A NE2 GLY 115.A O no hydrogen 3.479 N/A GLN 254.A NE2 ARG 289.A O no hydrogen 2.764 N/A GLY 255.A N SER 252.A O no hydrogen 3.088 N/A ASN 256.A ND2 GLU 273.A OE1 no hydrogen 2.738 N/A VAL 257.A N ILE 250.A O no hydrogen 2.745 N/A LEU 258.A N TYR 271.A O no hydrogen 2.841 N/A ILE 259.A N VAL 248.A O no hydrogen 2.602 N/A ILE 260.A N ARG 269.A O no hydrogen 2.976 N/A ARG 262.A N LEU 267.A O no hydrogen 3.121 N/A ARG 262.A NE GLU 263.A OE2 no hydrogen 2.960 N/A ARG 262.A NH1 ASP 234.A OD1 no hydrogen 3.173 N/A ARG 262.A NH2 GLU 263.A OE1 no hydrogen 2.890 N/A ARG 262.A NH2 GLU 263.A OE2 no hydrogen 3.510 N/A GLU 263.A N GLU 263.A OE2 no hydrogen 2.673 N/A VAL 268.A N VAL 235.A O no hydrogen 3.018 N/A ARG 269.A N ILE 260.A O no hydrogen 2.847 N/A ARG 269.A NE ASP 234.A OD2 no hydrogen 2.635 N/A ARG 269.A NH1 GLN 73.A O no hydrogen 3.236 N/A ARG 269.A NH1 ASP 234.A OD1 no hydrogen 3.172 N/A ARG 269.A NH1 ASP 234.A OD2 no hydrogen 3.434 N/A ARG 269.A NH2 GLN 73.A O no hydrogen 2.637 N/A ARG 269.A NH2 TYR 271.A OH no hydrogen 3.073 N/A PHE 270.A N MET 233.A O no hydrogen 2.930 N/A TYR 271.A N LEU 258.A O no hydrogen 2.882 N/A VAL 272.A N GLY 231.A O no hydrogen 2.783 N/A GLU 273.A N ASN 256.A O no hydrogen 3.122 N/A MET 274.A N ALA 229.A O no hydrogen 2.750 N/A THR 279.A N GLN 282.A OE1 no hydrogen 2.471 N/A THR 279.A OG1 GLU 281.A OE1 no hydrogen 3.374 N/A GLU 281.A N GLU 281.A OE1 no hydrogen 2.603 N/A GLN 282.A N THR 279.A OG1 no hydrogen 3.341 N/A LEU 283.A N THR 279.A O no hydrogen 3.295 N/A ILE 284.A N VAL 280.A O no hydrogen 2.790 N/A ALA 285.A N GLU 281.A O no hydrogen 2.869 N/A THR 286.A N GLN 282.A O no hydrogen 2.826 N/A THR 286.A OG1 GLN 282.A O no hydrogen 2.828 N/A ALA 287.A N LEU 283.A O no hydrogen 2.843 N/A GLN 288.A N ILE 284.A O no hydrogen 2.838 N/A GLN 288.A NE2 LEU 296.A O no hydrogen 2.915 N/A ARG 289.A N ALA 285.A O no hydrogen 3.052 N/A VAL 290.A N THR 286.A O no hydrogen 2.943 N/A LEU 291.A N ALA 287.A O no hydrogen 2.785 N/A HIS 292.A N GLN 288.A O no hydrogen 2.982 N/A TYR 294.A N LEU 291.A O no hydrogen 2.712 N/A LYS 295.A N ASP 240.A OD2 no hydrogen 2.819 N/A GLU 297.A N VAL 238.A O no hydrogen 2.840 N/A LYS 299.A N LEU 236.A O no hydrogen 2.953 N/A ASN 300.A N LEU 236.A O no hydrogen 3.152 N/A SER 305.A N VAL 232.A O no hydrogen 2.793 N/A VAL 306.A N SER 305.A OG no hydrogen 2.473 N/A TYR 307.A N TRP 230.A O no hydrogen 2.766 N/A ARG 312.A N THR 343.A O no hydrogen 3.255 N/A ARG 312.A N THR 343.A OG1 no hydrogen 3.252 N/A ILE 313.A N VAL 222.A O no hydrogen 2.876 N/A CYS 314.A N CYS 341.A O no hydrogen 2.894 N/A CYS 314.A SG ALA 340.A O no hydrogen 3.927 N/A CYS 314.A SG CYS 341.A O no hydrogen 3.751 N/A LYS 316.A NZ ASP 318.A OD2 no hydrogen 3.185 N/A LYS 316.A NZ VAL 320.A O no hydrogen 2.696 N/A LYS 316.A NZ ASP 322.A O no hydrogen 2.746 N/A TYR 317.A N SER 383.A OG no hydrogen 2.969 N/A VAL 320.A N ASP 318.A OD2 no hydrogen 2.940 N/A THR 326.A N SER 329.A OG no hydrogen 2.973 N/A THR 326.A OG1 ASP 328.A OD1 no hydrogen 2.505 N/A SER 329.A N THR 326.A O no hydrogen 2.912 N/A SER 329.A OG ASP 322.A OD2 no hydrogen 2.620 N/A SER 329.A OG THR 326.A O no hydrogen 3.281 N/A ARG 333.A N ASP 319.A OD2 no hydrogen 2.720 N/A ARG 333.A NH1 ARG 201.A O no hydrogen 2.834 N/A VAL 334.A N ASP 319.A OD2 no hydrogen 3.066 N/A PHE 335.A N VAL 203.A O no hydrogen 2.996 N/A ILE 336.A N TYR 317.A O no hydrogen 2.728 N/A ALA 337.A N GLY 205.A O no hydrogen 2.910 N/A GLY 338.A N ASP 358.A OD2 no hydrogen 3.113 N/A CYS 341.A N GLY 338.A O no hydrogen 3.157 N/A CYS 341.A SG ILE 336.A O no hydrogen 3.389 N/A CYS 341.A SG GLY 338.A O no hydrogen 3.370 N/A HIS 342.A N GLY 338.A O no hydrogen 3.274 N/A HIS 342.A N ASP 339.A O no hydrogen 3.350 N/A HIS 342.A ND1 HIS 344.A NE2 no hydrogen 2.674 N/A HIS 342.A NE2 ASP 358.A OD2 no hydrogen 2.767 N/A THR 343.A N ARG 312.A O no hydrogen 3.045 N/A THR 343.A OG1 GLY 310.A O no hydrogen 2.948 N/A HIS 344.A NE2 HIS 342.A ND1 no hydrogen 2.674 N/A SER 345.A N GLN 311.A OE1 no hydrogen 3.077 N/A ALA 348.A N SER 345.A O no hydrogen 2.897 N/A GLY 349.A N PRO 346.A O no hydrogen 3.059 N/A GLN 350.A NE2 PHE 417.A O no hydrogen 2.894 N/A ASN 353.A N GLN 350.A O no hydrogen 2.964 N/A ASN 353.A ND2 GLY 76.A O no hydrogen 2.895 N/A ASN 353.A ND2 GLN 350.A O no hydrogen 3.128 N/A MET 356.A N MET 352.A O no hydrogen 3.224 N/A GLN 357.A N PHE 354.A O no hydrogen 3.018 N/A ASP 358.A N SER 355.A O no hydrogen 3.216 N/A SER 359.A OG ALA 43.A O no hydrogen 2.764 N/A PHE 360.A N MET 356.A O no hydrogen 3.092 N/A ASN 361.A N GLN 357.A O no hydrogen 3.109 N/A ASN 361.A N ASP 358.A O no hydrogen 2.947 N/A ASN 361.A ND2 GLU 385.A OE2 no hydrogen 2.896 N/A ASN 361.A ND2 TYR 425.A OH no hydrogen 3.273 N/A LEU 362.A N ASP 358.A O no hydrogen 2.974 N/A GLY 363.A N SER 359.A O no hydrogen 2.788 N/A TRP 364.A NE1 ASP 590.A OD2 no hydrogen 2.945 N/A LYS 365.A NZ ASN 361.A OD1 no hydrogen 2.769 N/A LYS 365.A NZ THR 381.A OG1 no hydrogen 2.804 N/A LYS 365.A NZ GLU 385.A OE2 no hydrogen 2.858 N/A LEU 366.A N LEU 362.A O no hydrogen 2.991 N/A ALA 367.A N GLY 363.A O no hydrogen 3.251 N/A ALA 368.A N TRP 364.A O no hydrogen 2.978 N/A VAL 369.A N LYS 365.A O no hydrogen 2.997 N/A LEU 370.A N LEU 366.A O no hydrogen 2.850 N/A ARG 371.A N ALA 367.A O no hydrogen 2.918 N/A ARG 371.A NE ASP 56.A OD1 no hydrogen 3.031 N/A ARG 371.A NE ASP 56.A OD2 no hydrogen 3.131 N/A ARG 371.A NH2 ASP 56.A OD2 no hydrogen 2.586 N/A LYS 372.A N VAL 369.A O no hydrogen 2.893 N/A GLN 373.A N ALA 368.A O no hydrogen 2.793 N/A CYS 374.A N ALA 368.A O no hydrogen 3.370 N/A ALA 375.A N PHE 612.A O no hydrogen 2.797 N/A LEU 378.A N ALA 375.A O no hydrogen 2.945 N/A LEU 379.A N PRO 376.A O no hydrogen 2.955 N/A HIS 380.A N GLU 377.A O no hydrogen 2.964 N/A THR 381.A N LEU 378.A O no hydrogen 2.918 N/A THR 381.A OG1 LEU 378.A O no hydrogen 2.682 N/A TYR 382.A N LEU 379.A O no hydrogen 3.233 N/A TYR 382.A OH ILE 336.A O no hydrogen 2.676 N/A SER 384.A N HIS 380.A O no hydrogen 3.370 N/A SER 384.A OG HIS 380.A O no hydrogen 3.402 N/A GLU 385.A N THR 381.A O no hydrogen 2.876 N/A ARG 386.A N TYR 382.A O no hydrogen 2.883 N/A ARG 386.A NE ASP 358.A OD1 no hydrogen 2.564 N/A ARG 386.A NH1 TYR 425.A OH no hydrogen 3.291 N/A ARG 386.A NH2 ASP 358.A OD1 no hydrogen 3.198 N/A GLN 387.A N SER 383.A O no hydrogen 2.859 N/A GLN 387.A NE2 CYS 314.A O no hydrogen 3.114 N/A VAL 389.A N GLU 385.A O no hydrogen 3.375 N/A ALA 390.A N ARG 386.A O no hydrogen 3.297 N/A GLN 391.A N GLN 387.A O no hydrogen 2.961 N/A GLN 391.A NE2 GLN 391.A O no hydrogen 3.167 N/A GLN 391.A NE2 ASP 395.A OD1 no hydrogen 3.261 N/A GLN 392.A N VAL 388.A O no hydrogen 2.868 N/A LEU 393.A N VAL 389.A O no hydrogen 3.023 N/A ILE 394.A N ALA 390.A O no hydrogen 2.951 N/A ASP 395.A N GLN 391.A O no hydrogen 2.818 N/A PHE 396.A N GLN 392.A O no hydrogen 3.110 N/A ASP 397.A N LEU 393.A O no hydrogen 3.018 N/A ARG 398.A N ASP 395.A O no hydrogen 3.356 N/A GLU 399.A N PHE 396.A O no hydrogen 3.000 N/A TRP 400.A N PHE 396.A O no hydrogen 3.010 N/A LYS 402.A N TRP 400.A O no hydrogen 2.630 N/A PHE 407.A N ASP 403.A O no hydrogen 2.820 N/A LYS 409.A N LYS 405.A O no hydrogen 3.169 N/A TYR 410.A N GLU 406.A O no hydrogen 3.143 N/A PHE 411.A N PHE 407.A O no hydrogen 2.714 N/A GLU 412.A N GLN 408.A O no hydrogen 3.045 N/A GLN 413.A N LYS 409.A O no hydrogen 2.932 N/A HIS 414.A N TYR 410.A O no hydrogen 2.991 N/A GLY 415.A N PHE 411.A O no hydrogen 3.277 N/A GLY 415.A N GLU 412.A O no hydrogen 3.082 N/A ARG 416.A N GLU 412.A O no hydrogen 3.346 N/A ARG 416.A NE GLU 127.A OE1 no hydrogen 2.986 N/A PHE 417.A N GLN 413.A O no hydrogen 3.034 N/A THR 418.A N HIS 414.A O no hydrogen 2.885 N/A THR 418.A OG1 HIS 414.A O no hydrogen 3.144 N/A THR 418.A OG1 GLY 415.A O no hydrogen 2.945 N/A ALA 419.A N GLY 415.A O no hydrogen 2.971 N/A GLY 420.A N PHE 417.A O no hydrogen 2.963 N/A VAL 421.A N ARG 416.A O no hydrogen 3.140 N/A TYR 425.A N GLY 446.A O no hydrogen 2.863 N/A SER 428.A N THR 431.A O no hydrogen 2.790 N/A LEU 430.A N SER 428.A OG no hydrogen 3.176 N/A THR 431.A N SER 428.A OG no hydrogen 3.093 N/A GLY 432.A N ALA 594.A O no hydrogen 2.958 N/A LYS 435.A NZ GLN 433.A OE1 no hydrogen 3.037 N/A GLN 437.A N ALA 434.A O no hydrogen 3.419 N/A GLN 437.A NE2 GLN 437.A O no hydrogen 2.959 N/A GLN 437.A NE2 ALA 440.A O no hydrogen 2.854 N/A GLN 437.A NE2 PHE 443.A O no hydrogen 3.270 N/A LEU 439.A N HIS 436.A O no hydrogen 3.093 N/A ALA 440.A N GLN 437.A O no hydrogen 3.111 N/A SER 441.A N GLY 576.A O no hydrogen 3.092 N/A SER 441.A OG GLY 576.A O no hydrogen 3.453 N/A GLY 442.A N ARG 575.A O no hydrogen 2.565 N/A PHE 443.A N ALA 440.A O no hydrogen 3.021 N/A VAL 445.A N GLN 437.A OE1 no hydrogen 2.869 N/A GLY 446.A N VAL 593.A O no hydrogen 2.919 N/A MET 447.A N THR 444.A O no hydrogen 3.111 N/A ARG 448.A NE GLU 83.A OE1 no hydrogen 3.365 N/A ARG 448.A NE GLU 83.A OE2 no hydrogen 2.729 N/A ARG 448.A NH1 GLU 83.A OE1 no hydrogen 2.815 N/A ARG 448.A NH1 LEU 130.A O no hydrogen 2.838 N/A PHE 449.A N GLN 591.A O no hydrogen 2.876 N/A SER 451.A OG GLN 464.A OE1 no hydrogen 2.784 N/A VAL 454.A N VAL 463.A O no hydrogen 2.847 N/A VAL 455.A N SER 561.A O no hydrogen 2.763 N/A ARG 456.A N LYS 461.A O no hydrogen 3.014 N/A ARG 456.A NE ASP 459.A OD1 no hydrogen 3.406 N/A ARG 456.A NE ASP 459.A OD2 no hydrogen 3.001 N/A ARG 456.A NH2 ASP 459.A OD1 no hydrogen 2.871 N/A VAL 457.A N VAL 559.A O no hydrogen 3.070 N/A CYS 458.A SG TYR 556.A O no hydrogen 3.210 N/A LYS 461.A N ASP 459.A OD2 no hydrogen 3.262 N/A VAL 463.A N VAL 454.A O no hydrogen 3.084 N/A LEU 465.A N ALA 452.A O no hydrogen 2.932 N/A GLY 466.A N SER 451.A OG no hydrogen 2.912 N/A HIS 467.A N GLN 464.A O no hydrogen 2.904 N/A HIS 467.A NE2 GLU 132.A OE1 no hydrogen 3.027 N/A CYS 468.A N LEU 465.A O no hydrogen 3.207 N/A CYS 468.A SG LEU 465.A O no hydrogen 3.357 N/A GLY 469.A N GLY 466.A O no hydrogen 3.181 N/A LYS 470.A NZ GLU 86.A O no hydrogen 3.171 N/A LYS 470.A NZ GLU 86.A OE1 no hydrogen 2.758 N/A LYS 470.A NZ HIS 467.A O no hydrogen 3.206 N/A ALA 471.A N ALA 87.A O no hydrogen 3.015 N/A ASP 472.A N LYS 470.A O no hydrogen 2.734 N/A ARG 474.A N ASP 472.A OD2 no hydrogen 3.098 N/A ARG 474.A NE ASP 472.A OD1 no hydrogen 3.066 N/A ARG 474.A NH1 ASP 472.A OD1 no hydrogen 3.129 N/A ARG 474.A NH2 ASP 519.A O no hydrogen 2.807 N/A ARG 474.A NH2 ASP 519.A OD2 no hydrogen 2.972 N/A TRP 475.A N ILE 521.A O no hydrogen 3.109 N/A ARG 476.A N VAL 587.A O no hydrogen 2.807 N/A ARG 476.A NE ASP 523.A OD1 no hydrogen 2.793 N/A ARG 476.A NH1 ASP 472.A OD1 no hydrogen 2.879 N/A ARG 476.A NH1 ASP 472.A OD2 no hydrogen 3.092 N/A ARG 476.A NH1 ASP 523.A OD1 no hydrogen 3.469 N/A ARG 476.A NH2 LYS 470.A O no hydrogen 3.222 N/A ARG 476.A NH2 ASP 472.A OD2 no hydrogen 2.900 N/A ARG 476.A NH2 ARG 474.A O no hydrogen 2.879 N/A LEU 477.A N ASP 523.A O no hydrogen 2.852 N/A TYR 478.A N VAL 585.A O no hydrogen 2.962 N/A ALA 479.A N ARG 525.A O no hydrogen 2.918 N/A PHE 480.A N ALA 583.A O no hydrogen 2.817 N/A ALA 481.A N VAL 527.A O no hydrogen 2.813 N/A ALA 482.A N ASP 485.A OD1 no hydrogen 2.753 N/A GLN 483.A N ARG 579.A O no hydrogen 2.791 N/A ASP 485.A N ALA 482.A O no hydrogen 3.159 N/A GLN 488.A N ASN 484.A O no hydrogen 2.790 N/A GLN 488.A N ASP 485.A O no hydrogen 3.263 N/A LEU 493.A N ASP 485.A OD1 no hydrogen 2.823 N/A LEU 496.A N GLY 492.A O no hydrogen 3.057 N/A CYS 497.A N LEU 493.A O no hydrogen 3.058 N/A CYS 497.A SG LEU 493.A O no hydrogen 3.408 N/A ARG 498.A N LEU 494.A O no hydrogen 2.976 N/A ARG 498.A NH1 PRO 489.A O no hydrogen 2.597 N/A ARG 498.A NH2 PRO 489.A O no hydrogen 2.971 N/A PHE 499.A N ALA 495.A O no hydrogen 2.912 N/A LEU 500.A N LEU 496.A O no hydrogen 2.749 N/A GLU 501.A N CYS 497.A O no hydrogen 3.033 N/A GLY 502.A N ARG 498.A O no hydrogen 2.973 N/A ASP 503.A N PHE 499.A O no hydrogen 3.032 N/A ALA 505.A N ASP 503.A OD1 no hydrogen 2.799 N/A SER 506.A N ASP 503.A O no hydrogen 2.849 N/A SER 506.A OG LEU 500.A O no hydrogen 2.859 N/A SER 506.A OG ASP 503.A O no hydrogen 3.163 N/A ARG 509.A N SER 506.A OG no hydrogen 3.123 N/A ARG 510.A N SER 506.A O no hydrogen 2.891 N/A ARG 510.A NE GLU 610.A OE2 no hydrogen 2.814 N/A ARG 510.A NH1 GLU 610.A OE1 no hydrogen 2.810 N/A ARG 510.A NH1 GLU 610.A OE2 no hydrogen 3.336 N/A PHE 511.A N PRO 507.A O no hydrogen 2.882 N/A THR 512.A OG1 LEU 508.A O no hydrogen 2.691 N/A GLN 516.A N PRO 513.A O no hydrogen 3.052 N/A SER 520.A N ASP 517.A O no hydrogen 2.844 N/A SER 520.A OG GLN 516.A OE1 no hydrogen 3.008 N/A SER 520.A OG ASP 517.A O no hydrogen 2.947 N/A ASP 523.A N TRP 475.A O no hydrogen 2.765 N/A ARG 525.A N LEU 477.A O no hydrogen 2.860 N/A ARG 525.A NH1 GLU 557.A O no hydrogen 2.785 N/A ARG 525.A NH2 ASP 523.A OD1 no hydrogen 2.640 N/A ARG 525.A NH2 ASP 523.A OD2 no hydrogen 2.897 N/A ALA 526.A N LYS 558.A O no hydrogen 2.735 N/A VAL 527.A N ALA 479.A O no hydrogen 2.867 N/A PHE 528.A N PHE 560.A O no hydrogen 2.839 N/A GLN 530.A NE2 GLN 483.A O no hydrogen 2.964 N/A ALA 531.A N GLU 534.A OE2 no hydrogen 2.879 N/A GLU 534.A N ALA 531.A O no hydrogen 2.580 N/A VAL 535.A N TYR 532.A O no hydrogen 3.031 N/A GLU 538.A N GLU 538.A OE2 no hydrogen 2.712 N/A THR 539.A N ALA 536.A O no hydrogen 3.006 N/A THR 539.A OG1 ALA 536.A O no hydrogen 2.956 N/A LEU 540.A N LEU 537.A O no hydrogen 2.901 N/A LEU 544.A N PRO 541.A O no hydrogen 2.914 N/A LEU 545.A N ALA 542.A O no hydrogen 2.946 N/A LYS 548.A N MET 553.A O no hydrogen 2.835 N/A LYS 548.A NZ ASP 519.A OD1 no hydrogen 3.385 N/A LYS 548.A NZ ASP 519.A OD2 no hydrogen 2.747 N/A LYS 548.A NZ ASP 555.A OD2 no hydrogen 2.886 N/A GLY 549.A N ASP 517.A OD1 no hydrogen 2.941 N/A GLN 550.A N ASN 6.A OD1 no hydrogen 2.636 N/A GLY 552.A N GLY 549.A O no hydrogen 3.163 N/A ASP 555.A N PRO 546.A O no hydrogen 2.984 N/A GLU 557.A N ASP 555.A OD1 no hydrogen 2.921 N/A LYS 558.A NZ ASP 519.A OD2 no hydrogen 2.855 N/A LYS 558.A NZ ASP 523.A OD2 no hydrogen 2.864 N/A PHE 560.A N ALA 526.A O no hydrogen 2.745 N/A SER 561.A N VAL 455.A O no hydrogen 2.851 N/A SER 561.A OG GLN 530.A O no hydrogen 2.763 N/A LYS 565.A N ASP 563.A OD1 no hydrogen 3.019 N/A ASN 566.A N ASP 563.A OD1 no hydrogen 2.868 N/A ASN 566.A ND2 ASP 563.A OD2 no hydrogen 2.871 N/A GLN 569.A N ASN 566.A O no hydrogen 3.261 N/A GLN 569.A NE2 GLY 568.A O no hydrogen 3.079 N/A PHE 572.A N ASP 570.A OD2 no hydrogen 2.832 N/A GLU 573.A N ASP 570.A O no hydrogen 2.837 N/A LEU 574.A N ASP 570.A O no hydrogen 2.881 N/A ARG 575.A N ILE 571.A O no hydrogen 2.902 N/A ARG 575.A NE HIS 450.A O no hydrogen 2.898 N/A ARG 575.A NH1 LEU 574.A O no hydrogen 3.027 N/A ARG 575.A NH2 SER 451.A O no hydrogen 2.797 N/A GLY 576.A N GLU 573.A O no hydrogen 3.345 N/A ILE 577.A N PHE 572.A O no hydrogen 3.037 N/A ASP 578.A N LEU 439.A O no hydrogen 2.778 N/A ARG 579.A NH1 ASP 570.A OD1 no hydrogen 2.753 N/A ARG 579.A NH1 GLU 573.A OE2 no hydrogen 3.314 N/A GLN 581.A N ASP 578.A OD1 no hydrogen 2.790 N/A GLN 581.A NE2 GLN 580.A OE1 no hydrogen 2.585 N/A GLY 582.A N ASP 578.A O no hydrogen 2.784 N/A ALA 583.A N PHE 480.A O no hydrogen 2.823 N/A LEU 584.A N LEU 597.A O no hydrogen 2.816 N/A VAL 585.A N TYR 478.A O no hydrogen 2.879 N/A VAL 586.A N GLN 595.A O no hydrogen 2.869 N/A VAL 587.A N ARG 476.A O no hydrogen 2.782 N/A ARG 588.A N TYR 592.A O no hydrogen 2.741 N/A ARG 588.A NE ASP 590.A OD1 no hydrogen 3.127 N/A ARG 588.A NH1 GLU 385.A OE2 no hydrogen 2.802 N/A ARG 588.A NH1 ASP 590.A OD2 no hydrogen 2.880 N/A ARG 588.A NH2 GLU 385.A OE1 no hydrogen 2.817 N/A ARG 588.A NH2 GLU 385.A OE2 no hydrogen 3.391 N/A GLN 591.A N ARG 588.A O no hydrogen 2.961 N/A GLN 591.A NE2 GLY 469.A O no hydrogen 3.391 N/A TYR 592.A N ASP 590.A OD1 no hydrogen 3.239 N/A VAL 593.A N MET 447.A O no hydrogen 2.949 N/A ALA 594.A N VAL 586.A O no hydrogen 2.810 N/A GLN 595.A N VAL 586.A O no hydrogen 3.306 N/A GLN 595.A NE2 LEU 430.A O no hydrogen 3.685 N/A LEU 597.A N LEU 584.A O no hydrogen 2.753 N/A ASP 601.A N PRO 598.A O no hydrogen 3.041 N/A HIS 602.A N GLY 600.A O no hydrogen 2.760 N/A ALA 604.A N ASP 601.A OD2 no hydrogen 3.064 N/A LEU 605.A N ASP 601.A O no hydrogen 3.250 N/A SER 606.A N HIS 602.A O no hydrogen 2.971 N/A SER 606.A OG ALA 505.A O no hydrogen 3.420 N/A SER 606.A OG HIS 602.A O no hydrogen 3.271 N/A ALA 607.A N ALA 603.A O no hydrogen 2.845 N/A TYR 608.A N ALA 604.A O no hydrogen 2.963 N/A TYR 608.A OH LEU 430.A O no hydrogen 2.634 N/A PHE 609.A N LEU 605.A O no hydrogen 3.355 N/A GLU 610.A N SER 606.A O no hydrogen 2.856 N/A SER 611.A N ALA 607.A O no hydrogen 3.098 N/A SER 611.A N TYR 608.A O no hydrogen 3.226 N/A SER 611.A OG TYR 608.A O no hydrogen 2.688 N/A PHE 612.A N PHE 609.A O no hydrogen 3.233 N/A MET 613.A N PHE 609.A O no hydrogen 2.811 N/A ARG 614.A N GLN 373.A O no hydrogen 2.796 N/A