Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ivf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NH1 ASP 2.A OD1 no hydrogen 3.021 N/A ARG 5.A NH2 GLU 1.A OE1 no hydrogen 3.133 N/A LYS 6.A N ASP 2.A O no hydrogen 2.858 N/A GLU 7.A N TYR 4.A O no hydrogen 2.827 N/A TRP 8.A N ARG 5.A O no hydrogen 3.160 N/A ASP 11.A N VAL 34.A O no hydrogen 2.872 N/A LYS 12.A N VAL 34.A O no hydrogen 3.203 N/A LYS 12.A NZ ASN 14.A OD1 no hydrogen 2.852 N/A LYS 12.A NZ SER 613.A O no hydrogen 2.612 N/A ASN 14.A N VAL 32.A O no hydrogen 2.961 N/A ASN 14.A ND2 ASP 611.A OD2 no hydrogen 3.078 N/A TRP 15.A NE1 LYS 700.A O no hydrogen 2.974 N/A GLY 16.A N PHE 30.A O no hydrogen 2.871 N/A SER 17.A OG CYS 28.A O no hydrogen 2.561 N/A HIS 18.A NE2 TYR 592.A OH no hydrogen 2.752 N/A ASN 20.A ND2 ASN 20.A O no hydrogen 2.672 N/A ILE 21.A N HIS 130.A ND1 no hydrogen 3.027 N/A CYS 22.A N ASN 20.A O no hydrogen 2.940 N/A CYS 22.A SG ASN 20.A O no hydrogen 3.714 N/A TRP 23.A NE1 ALA 416.A O no hydrogen 3.096 N/A GLN 25.A NE2 HIS 18.A O no hydrogen 2.981 N/A GLN 25.A NE2 ASN 20.A O no hydrogen 3.038 N/A SER 27.A N GLN 25.A OE1 no hydrogen 2.935 N/A SER 27.A OG GLN 25.A OE1 no hydrogen 3.024 N/A SER 27.A OG THR 598.A OG1 no hydrogen 2.978 N/A SER 27.A OG PHE 606.A O no hydrogen 3.153 N/A LYS 29.A NZ GLN 47.A OE1 no hydrogen 2.831 N/A LYS 29.A NZ GLU 701.A O no hydrogen 2.833 N/A PHE 30.A N GLY 16.A O no hydrogen 2.750 N/A TYR 31.A N GLU 43.A O no hydrogen 2.681 N/A VAL 32.A N ASN 14.A O no hydrogen 2.756 N/A TYR 33.A N ARG 41.A O no hydrogen 2.788 N/A VAL 34.A N LYS 12.A O no hydrogen 2.881 N/A ARG 35.A N ILE 38.A O no hydrogen 2.855 N/A ARG 35.A NH1 GLU 7.A O no hydrogen 2.827 N/A ARG 35.A NH1 LYS 9.A O no hydrogen 2.867 N/A ARG 35.A NH2 GLU 7.A OE1 no hydrogen 3.373 N/A ASN 36.A N ASP 11.A OD2 no hydrogen 2.863 N/A ILE 38.A N ARG 35.A O no hydrogen 2.956 N/A VAL 39.A N TYR 74.A OH no hydrogen 2.695 N/A TRP 40.A N TYR 33.A O no hydrogen 2.823 N/A ARG 41.A N TYR 33.A O no hydrogen 3.481 N/A ARG 41.A NH1 GLU 43.A OE1 no hydrogen 2.906 N/A ARG 41.A NH2 GLU 43.A OE1 no hydrogen 2.849 N/A GLU 43.A N TYR 31.A O no hydrogen 2.911 N/A GLN 44.A N GLN 44.A OE1 no hydrogen 2.863 N/A GLN 44.A NE2 LEU 61.A O no hydrogen 2.824 N/A ALA 45.A N LYS 29.A O no hydrogen 2.908 N/A THR 48.A N ASN 59.A OD1 no hydrogen 2.854 N/A CYS 51.A SG ASN 52.A OD1 no hydrogen 3.629 N/A CYS 51.A SG ASP 178.A OD2 no hydrogen 3.517 N/A CYS 51.A SG THR 725.A O no hydrogen 3.841 N/A TYR 55.A N ASN 52.A O no hydrogen 3.009 N/A TYR 55.A OH ASP 182.A OD1 no hydrogen 3.096 N/A TYR 55.A OH ASP 182.A OD2 no hydrogen 2.599 N/A TYR 58.A N THR 48.A O no hydrogen 3.096 N/A ASN 59.A N ASP 57.A OD1 no hydrogen 3.091 N/A GLN 64.A N GLN 64.A OE1 no hydrogen 2.504 N/A LYS 65.A NZ GLN 64.A OE1 no hydrogen 2.999 N/A LYS 65.A NZ ARG 787.A O no hydrogen 2.745 N/A SER 67.A N CYS 63.A O no hydrogen 2.872 N/A SER 67.A OG CYS 63.A O no hydrogen 2.840 N/A ALA 68.A N LYS 65.A O no hydrogen 3.232 N/A PHE 69.A N GLY 66.A O no hydrogen 3.325 N/A ASN 70.A N GLU 42.A OE2 no hydrogen 3.251 N/A ASN 71.A N ALA 68.A O no hydrogen 2.946 N/A ASN 71.A ND2 ALA 68.A O no hydrogen 2.803 N/A ASN 72.A N PHE 69.A O no hydrogen 2.826 N/A LEU 73.A N PHE 69.A O no hydrogen 3.311 N/A TYR 74.A N ASN 71.A O no hydrogen 3.397 N/A GLY 75.A N ASN 72.A O no hydrogen 3.189 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.811 N/A ARG 78.A N GLY 75.A O no hydrogen 3.152 N/A ARG 78.A NH1 LEU 73.A O no hydrogen 2.994 N/A ARG 78.A NH1 GLU 593.A OE1 no hydrogen 3.468 N/A ARG 78.A NH1 GLU 593.A OE2 no hydrogen 2.760 N/A ARG 78.A NH2 CYS 588.A O no hydrogen 3.566 N/A ARG 78.A NH2 GLU 593.A OE1 no hydrogen 2.805 N/A VAL 79.A N THR 573.A O no hydrogen 3.114 N/A LEU 83.A N VAL 585.A O no hydrogen 2.863 N/A LYS 84.A N LYS 95.A O no hydrogen 2.714 N/A LYS 84.A NZ GLU 101.A OE2 no hydrogen 3.068 N/A LYS 84.A NZ ASP 105.A OD2 no hydrogen 2.490 N/A ARG 85.A N ASP 583.A O no hydrogen 2.954 N/A ARG 85.A NE ASP 583.A OD1 no hydrogen 2.816 N/A ARG 85.A NH1 GLY 87.A O no hydrogen 2.840 N/A ARG 85.A NH2 ASP 583.A OD1 no hydrogen 3.045 N/A VAL 86.A N LYS 93.A O no hydrogen 2.865 N/A LYS 88.A N GLU 91.A OE1 no hydrogen 2.856 N/A ARG 89.A NE ASP 583.A OD1 no hydrogen 2.832 N/A ARG 89.A NH1 LEU 565.A O no hydrogen 3.014 N/A ARG 89.A NH2 LEU 565.A O no hydrogen 2.859 N/A ARG 89.A NH2 ASP 583.A OD1 no hydrogen 3.334 N/A ARG 89.A NH2 ASP 583.A OD2 no hydrogen 2.796 N/A GLU 91.A N LYS 88.A O no hydrogen 3.090 N/A LYS 95.A N LYS 84.A O no hydrogen 2.986 N/A ARG 96.A NH2 GLU 619.A OE2 no hydrogen 2.833 N/A VAL 97.A N PRO 82.A O no hydrogen 2.936 N/A TRP 99.A NE1 GLU 619.A O no hydrogen 2.715 N/A GLU 101.A N SER 98.A OG no hydrogen 2.974 N/A ALA 102.A N SER 98.A O no hydrogen 2.969 N/A ALA 103.A N TRP 99.A O no hydrogen 2.798 N/A GLY 104.A N ASP 100.A O no hydrogen 2.981 N/A ASP 105.A N GLU 101.A O no hydrogen 2.841 N/A ILE 106.A N ALA 102.A O no hydrogen 3.052 N/A ALA 107.A N ALA 103.A O no hydrogen 2.899 N/A ASP 108.A N GLY 104.A O no hydrogen 2.895 N/A SER 109.A N ASP 105.A O no hydrogen 3.018 N/A SER 109.A OG ILE 106.A O no hydrogen 2.753 N/A ILE 110.A N ILE 106.A O no hydrogen 2.985 N/A ILE 111.A N ALA 107.A O no hydrogen 2.926 N/A ASP 112.A N ASP 108.A O no hydrogen 2.790 N/A SER 113.A N SER 109.A O no hydrogen 3.069 N/A PHE 114.A N ILE 110.A O no hydrogen 2.926 N/A GLU 115.A N ILE 111.A O no hydrogen 2.880 N/A ALA 116.A N ASP 112.A O no hydrogen 2.993 N/A GLN 117.A N SER 113.A O no hydrogen 2.930 N/A GLN 117.A NE2 SER 113.A OG no hydrogen 3.243 N/A GLN 117.A NE2 THR 535.A O no hydrogen 2.512 N/A GLY 118.A N PHE 114.A O no hydrogen 2.872 N/A SER 119.A N ASN 647.A O no hydrogen 3.051 N/A SER 119.A OG ASP 147.A O no hydrogen 2.603 N/A SER 119.A OG ASP 147.A OD2 no hydrogen 3.147 N/A PHE 122.A N SER 119.A O no hydrogen 3.400 N/A ILE 123.A N VAL 538.A O no hydrogen 2.901 N/A LEU 124.A N VAL 149.A O no hydrogen 2.930 N/A HIS 128.A N SER 543.A O no hydrogen 2.853 N/A VAL 129.A N HIS 128.A ND1 no hydrogen 2.887 N/A ALA 131.A N SER 543.A OG no hydrogen 3.180 N/A GLY 132.A N VAL 129.A O no hydrogen 2.742 N/A SER 133.A OG GLU 596.A OE1 no hydrogen 2.946 N/A ILE 134.A N GLU 596.A OE2 no hydrogen 2.808 N/A TRP 136.A N GLY 132.A O no hydrogen 2.816 N/A TRP 136.A NE1 PRO 127.A O no hydrogen 3.118 N/A GLY 137.A N SER 133.A O no hydrogen 2.814 N/A ALA 138.A N ILE 134.A O no hydrogen 2.721 N/A GLY 139.A N ALA 135.A O no hydrogen 3.028 N/A PHE 140.A N TRP 136.A O no hydrogen 2.877 N/A ARG 141.A N GLY 137.A O no hydrogen 2.805 N/A ARG 141.A NE PHE 663.A O no hydrogen 2.803 N/A ARG 141.A NH1 LEU 427.A O no hydrogen 2.720 N/A ARG 141.A NH1 MET 430.A O no hydrogen 2.901 N/A ARG 141.A NH2 MET 430.A O no hydrogen 2.963 N/A ARG 141.A NH2 LYS 662.A O no hydrogen 2.940 N/A MET 142.A N ALA 138.A O no hydrogen 2.805 N/A THR 143.A N GLY 139.A O no hydrogen 3.002 N/A THR 143.A OG1 GLY 139.A O no hydrogen 2.812 N/A TYR 144.A N PHE 140.A O no hydrogen 2.776 N/A LEU 145.A N ARG 141.A O no hydrogen 2.789 N/A MET 146.A N MET 142.A O no hydrogen 2.977 N/A ASP 147.A N TYR 144.A O no hydrogen 3.182 N/A GLY 148.A N THR 143.A O no hydrogen 2.820 N/A VAL 149.A N PHE 122.A O no hydrogen 2.952 N/A SER 150.A N GLY 478.A O no hydrogen 2.881 N/A ASP 152.A N VAL 480.A O no hydrogen 2.737 N/A ASN 154.A ND2 ASP 159.A O no hydrogen 2.876 N/A VAL 155.A N ASP 152.A OD1 no hydrogen 3.283 N/A ASP 156.A N ASP 152.A O no hydrogen 2.963 N/A ILE 157.A N ILE 153.A O no hydrogen 2.957 N/A GLY 158.A N ASN 154.A O no hydrogen 3.018 N/A ASP 159.A N ASN 154.A O no hydrogen 3.150 N/A TYR 161.A OH ILE 380.A O no hydrogen 2.610 N/A GLY 163.A N GLU 394.A OE1 no hydrogen 2.888 N/A PHE 165.A N TYR 161.A O no hydrogen 2.857 N/A HIS 166.A N MET 162.A O no hydrogen 2.816 N/A THR 167.A N GLY 163.A O no hydrogen 2.977 N/A THR 167.A N ALA 164.A O no hydrogen 3.119 N/A THR 167.A OG1 GLY 163.A O no hydrogen 2.620 N/A PHE 168.A N ALA 164.A O no hydrogen 2.752 N/A LYS 170.A NZ GLU 463.A OE1 no hydrogen 2.918 N/A LYS 170.A NZ GLU 463.A OE2 no hydrogen 3.566 N/A LYS 170.A NZ ALA 717.A O no hydrogen 2.697 N/A LYS 170.A NZ HIS 734.A NE2 no hydrogen 2.900 N/A HIS 172.A ND1 TRP 417.A O no hydrogen 2.771 N/A MET 173.A N MET 171.A O no hydrogen 2.828 N/A GLY 174.A N HIS 718.A ND1 no hydrogen 3.317 N/A TYR 175.A N PHE 415.A O no hydrogen 3.323 N/A TYR 175.A OH SER 378.A O no hydrogen 2.738 N/A SER 176.A N ILE 728.A O no hydrogen 3.060 N/A SER 176.A OG ASP 178.A OD1 no hydrogen 2.581 N/A ALA 177.A N GLY 603.A O no hydrogen 2.935 N/A ASN 179.A N SER 176.A O no hydrogen 2.795 N/A ASN 179.A ND2 THR 412.A O no hydrogen 2.784 N/A LEU 180.A N ALA 177.A O no hydrogen 3.210 N/A LEU 181.A N ASP 178.A O no hydrogen 2.928 N/A ASP 182.A N ASN 179.A O no hydrogen 2.918 N/A ALA 183.A N LEU 180.A O no hydrogen 3.125 N/A GLU 184.A N ARG 375.A O no hydrogen 2.740 N/A LEU 185.A N ARG 375.A O no hydrogen 2.986 N/A ILE 186.A N GLU 213.A O no hydrogen 2.859 N/A PHE 187.A N CYS 377.A O no hydrogen 2.873 N/A MET 188.A N VAL 215.A O no hydrogen 2.771 N/A THR 189.A N TYR 379.A O no hydrogen 2.922 N/A SER 191.A OG THR 189.A O no hydrogen 3.199 N/A SER 191.A OG TYR 379.A O no hydrogen 3.315 N/A SER 194.A N THR 224.A OG1 no hydrogen 2.935 N/A SER 194.A OG PRO 223.A O no hydrogen 3.296 N/A THR 196.A N ASN 192.A O no hydrogen 2.818 N/A THR 196.A OG1 ASN 192.A O no hydrogen 3.060 N/A TYR 197.A N TRP 193.A O no hydrogen 2.828 N/A TYR 197.A OH ASN 604.A OD1 no hydrogen 2.549 N/A SER 200.A N TYR 197.A O no hydrogen 3.131 N/A SER 200.A OG ASN 604.A OD1 no hydrogen 2.753 N/A TYR 201.A N TYR 197.A O no hydrogen 2.829 N/A HIS 202.A ND1 GLU 206.A OE1 no hydrogen 2.628 N/A PHE 203.A N SER 200.A O no hydrogen 3.015 N/A LEU 204.A N TYR 201.A O no hydrogen 2.768 N/A SER 205.A N TYR 201.A O no hydrogen 3.368 N/A SER 205.A OG HIS 202.A O no hydrogen 3.090 N/A GLU 206.A N HIS 202.A O no hydrogen 2.741 N/A ALA 207.A N PHE 203.A O no hydrogen 2.841 N/A ARG 208.A N LEU 204.A O no hydrogen 3.067 N/A ARG 208.A NE ASP 229.A OD1 no hydrogen 2.965 N/A ARG 208.A NH2 ASP 229.A OD1 no hydrogen 2.950 N/A TYR 209.A N SER 205.A O no hydrogen 3.208 N/A LYS 210.A N GLU 206.A O no hydrogen 3.007 N/A LYS 210.A NZ LEU 181.A O no hydrogen 2.476 N/A GLY 211.A N ALA 207.A O no hydrogen 3.093 N/A GLY 211.A N ARG 208.A O no hydrogen 3.002 N/A ALA 212.A N ALA 207.A O no hydrogen 2.821 N/A GLU 213.A N GLU 184.A O no hydrogen 2.949 N/A VAL 214.A N ASP 229.A OD2 no hydrogen 2.876 N/A VAL 215.A N ILE 186.A O no hydrogen 2.788 N/A VAL 216.A N LEU 230.A O no hydrogen 2.902 N/A ILE 217.A N MET 188.A O no hydrogen 2.780 N/A ALA 218.A N VAL 232.A O no hydrogen 3.132 N/A PHE 221.A N ASN 846.A O no hydrogen 2.912 N/A ASN 222.A ND2 SER 191.A O no hydrogen 2.981 N/A THR 224.A N ASN 222.A OD1 no hydrogen 2.968 N/A THR 224.A OG1 ASN 192.A OD1 no hydrogen 2.770 N/A THR 225.A N ASN 222.A O no hydrogen 2.956 N/A THR 225.A OG1 ASN 222.A O no hydrogen 2.677 N/A ALA 227.A N THR 224.A O no hydrogen 3.086 N/A ALA 228.A N THR 225.A O no hydrogen 2.983 N/A ASP 229.A N VAL 214.A O no hydrogen 2.717 N/A LEU 230.A N VAL 214.A O no hydrogen 3.156 N/A HIS 231.A NE2 ALA 218.A O no hydrogen 2.674 N/A VAL 232.A N VAL 216.A O no hydrogen 2.803 N/A VAL 234.A N VAL 232.A O no hydrogen 2.925 N/A ARG 235.A N CYS 357.A O no hydrogen 2.840 N/A ARG 235.A NH1 ALA 355.A O no hydrogen 2.605 N/A SER 238.A N ARG 235.A O no hydrogen 2.941 N/A SER 238.A OG ARG 235.A O no hydrogen 2.631 N/A ALA 241.A N SER 238.A O no hydrogen 2.983 N/A TRP 243.A N ASP 239.A O no hydrogen 2.982 N/A LEU 244.A N ALA 240.A O no hydrogen 2.745 N/A GLY 245.A N ALA 241.A O no hydrogen 2.929 N/A LEU 246.A N PHE 242.A O no hydrogen 2.999 N/A SER 247.A N TRP 243.A O no hydrogen 2.970 N/A SER 247.A OG TRP 243.A O no hydrogen 3.013 N/A GLN 248.A N LEU 244.A O no hydrogen 2.773 N/A VAL 249.A N GLY 245.A O no hydrogen 2.937 N/A MET 250.A N LEU 246.A O no hydrogen 3.117 N/A ILE 251.A N SER 247.A O no hydrogen 2.918 N/A ASP 252.A N GLN 248.A O no hydrogen 2.786 N/A GLU 253.A N VAL 249.A O no hydrogen 2.882 N/A LYS 254.A N ILE 251.A O no hydrogen 2.931 N/A LEU 255.A N MET 250.A O no hydrogen 2.796 N/A ASP 257.A N LEU 403.A O no hydrogen 2.780 N/A ARG 258.A NH1 GLU 319.A OE1 no hydrogen 2.931 N/A ARG 258.A NH2 GLU 319.A OE1 no hydrogen 3.359 N/A ARG 258.A NH2 GLU 319.A OE2 no hydrogen 2.885 N/A PHE 260.A N ASP 257.A OD1 no hydrogen 3.223 N/A VAL 261.A N ASP 257.A O no hydrogen 3.040 N/A CYS 262.A N ARG 258.A O no hydrogen 2.923 N/A CYS 262.A SG ARG 258.A O no hydrogen 3.302 N/A CYS 262.A SG PRO 316.A O no hydrogen 3.766 N/A GLU 263.A N GLN 259.A O no hydrogen 2.965 N/A GLU 263.A N PHE 260.A O no hydrogen 3.221 N/A GLN 264.A N PHE 260.A O no hydrogen 2.822 N/A GLN 264.A NE2 GLU 263.A OE2 no hydrogen 2.866 N/A GLN 264.A NE2 HIS 734.A O no hydrogen 3.043 N/A THR 265.A N VAL 261.A O no hydrogen 3.308 N/A THR 265.A OG1 VAL 261.A O no hydrogen 2.748 N/A ASP 266.A N ALA 748.A O no hydrogen 3.092 N/A LEU 267.A N THR 265.A OG1 no hydrogen 2.978 N/A LEU 269.A N ASP 266.A O no hydrogen 2.844 N/A LEU 270.A N TYR 293.A O no hydrogen 2.867 N/A VAL 271.A N ARG 335.A O no hydrogen 2.805 N/A ARG 272.A N LYS 277.A O no hydrogen 2.934 N/A ARG 272.A NE ASP 274.A OD1 no hydrogen 3.004 N/A ARG 272.A NH2 ASP 274.A OD1 no hydrogen 3.446 N/A ARG 272.A NH2 ASP 274.A OD2 no hydrogen 2.761 N/A MET 273.A N GLN 333.A O no hydrogen 2.990 N/A GLY 276.A N ARG 272.A O no hydrogen 2.978 N/A LYS 277.A N THR 275.A OG1 no hydrogen 3.254 N/A LYS 277.A NZ ASP 753.A O no hydrogen 2.582 N/A LYS 277.A NZ ASP 755.A OD1 no hydrogen 2.788 N/A PHE 278.A N ASP 753.A OD2 no hydrogen 2.927 N/A LEU 279.A N LEU 270.A O no hydrogen 2.806 N/A SER 280.A N ASP 283.A OD2 no hydrogen 3.071 N/A ALA 281.A N GLN 291.A O no hydrogen 2.931 N/A GLU 282.A N GLU 288.A O no hydrogen 3.122 N/A ASP 283.A N SER 280.A OG no hydrogen 3.181 N/A VAL 284.A N SER 280.A O no hydrogen 3.048 N/A ASP 285.A N ALA 281.A O no hydrogen 2.786 N/A GLY 286.A N GLU 282.A O no hydrogen 3.158 N/A GLY 287.A N ALA 281.A O no hydrogen 3.069 N/A GLY 287.A N ASP 285.A OD1 no hydrogen 3.224 N/A LYS 290.A NZ GLU 886.A OE1 no hydrogen 2.503 N/A GLN 291.A N GLU 288.A O no hydrogen 3.339 N/A GLN 291.A NE2 PHE 292.A O no hydrogen 2.959 N/A GLN 291.A NE2 ALA 305.A O no hydrogen 2.546 N/A PHE 294.A N ARG 303.A O no hydrogen 2.834 N/A ASP 296.A N SER 301.A O no hydrogen 2.800 N/A ALA 299.A N ASP 296.A OD1 no hydrogen 3.219 N/A GLY 300.A N ASP 296.A O no hydrogen 2.704 N/A SER 301.A N ASP 296.A O no hydrogen 3.082 N/A SER 301.A OG VAL 302.A O no hydrogen 2.833 N/A ARG 303.A N PHE 294.A O no hydrogen 2.918 N/A ARG 303.A NH1 ASP 296.A OD2 no hydrogen 2.976 N/A ALA 305.A N PHE 292.A O no hydrogen 2.861 N/A ARG 307.A NH1 ASP 457.A OD1 no hydrogen 3.530 N/A ARG 307.A NH1 ASP 457.A OD2 no hydrogen 2.769 N/A ARG 307.A NH2 ASP 457.A OD2 no hydrogen 3.210 N/A GLY 308.A N SER 306.A OG no hydrogen 2.935 N/A THR 309.A N SER 306.A OG no hydrogen 3.152 N/A THR 309.A OG1 LYS 738.A O no hydrogen 3.444 N/A LEU 310.A N LYS 738.A O no hydrogen 2.965 N/A LYS 311.A N THR 309.A OG1 no hydrogen 3.137 N/A ALA 317.A N PHE 295.A O no hydrogen 2.746 N/A GLU 319.A N GLU 319.A OE1 no hydrogen 2.711 N/A GLY 320.A N GLU 339.A OE1 no hydrogen 2.954 N/A PHE 322.A N VAL 334.A O no hydrogen 2.826 N/A ALA 324.A N ILE 332.A O no hydrogen 2.977 N/A LEU 326.A N LYS 330.A O no hydrogen 2.705 N/A LYS 327.A N ASP 283.A O no hydrogen 2.749 N/A GLY 329.A N LEU 326.A O no hydrogen 2.872 N/A ILE 332.A N ALA 324.A O no hydrogen 2.970 N/A VAL 334.A N PHE 322.A O no hydrogen 2.888 N/A ARG 335.A N VAL 271.A O no hydrogen 2.992 N/A ARG 335.A NH1 GLU 343.A OE2 no hydrogen 3.324 N/A THR 336.A OG1 LEU 318.A O no hydrogen 2.481 N/A VAL 337.A N LEU 269.A O no hydrogen 3.024 N/A PHE 338.A N LEU 267.A O no hydrogen 2.857 N/A GLU 339.A N THR 336.A OG1 no hydrogen 2.913 N/A GLY 340.A N THR 336.A O no hydrogen 3.155 N/A LEU 341.A N VAL 337.A O no hydrogen 2.751 N/A ARG 342.A N PHE 338.A O no hydrogen 2.789 N/A ARG 342.A NH1 GLU 339.A OE1 no hydrogen 3.149 N/A GLU 343.A N GLU 339.A O no hydrogen 3.301 N/A HIS 344.A N GLY 340.A O no hydrogen 2.919 N/A HIS 344.A NE2 PRO 765.A O no hydrogen 2.704 N/A LEU 345.A N LEU 341.A O no hydrogen 2.774 N/A LYS 346.A N GLU 343.A O no hydrogen 2.992 N/A ASP 347.A N HIS 344.A O no hydrogen 3.192 N/A TYR 348.A N LEU 345.A O no hydrogen 2.879 N/A TYR 348.A OH THR 766.A OG1 no hydrogen 3.162 N/A GLU 351.A N GLU 351.A OE1 no hydrogen 2.813 N/A LYS 352.A N THR 349.A OG1 no hydrogen 3.312 N/A LYS 352.A NZ LYS 346.A O no hydrogen 3.002 N/A ALA 353.A N THR 349.A O no hydrogen 2.680 N/A SER 354.A N PRO 350.A O no hydrogen 2.814 N/A SER 354.A OG VAL 359.A O no hydrogen 2.732 N/A ALA 355.A N GLU 351.A O no hydrogen 3.187 N/A LYS 356.A N LYS 352.A O no hydrogen 3.172 N/A LYS 356.A N ALA 353.A O no hydrogen 2.911 N/A CYS 357.A N ALA 353.A O no hydrogen 2.852 N/A CYS 357.A SG ALA 353.A O no hydrogen 3.359 N/A GLY 358.A N SER 354.A O no hydrogen 2.807 N/A LEU 363.A N PRO 360.A O no hydrogen 3.075 N/A ILE 364.A N PRO 360.A O no hydrogen 3.118 N/A ARG 365.A N VAL 361.A O no hydrogen 2.848 N/A ARG 365.A NH2 GLU 351.A OE2 no hydrogen 3.233 N/A GLU 366.A N SER 362.A O no hydrogen 2.869 N/A LEU 367.A N LEU 363.A O no hydrogen 2.960 N/A GLY 368.A N ILE 364.A O no hydrogen 2.822 N/A ARG 369.A N ARG 365.A O no hydrogen 3.113 N/A ARG 369.A NE GLU 253.A OE1 no hydrogen 2.744 N/A ARG 369.A NE GLU 253.A OE2 no hydrogen 3.236 N/A ARG 369.A NH2 GLU 253.A OE1 no hydrogen 3.463 N/A ARG 369.A NH2 GLU 253.A OE2 no hydrogen 2.704 N/A LYS 370.A N GLU 366.A O no hydrogen 3.022 N/A LYS 370.A NZ GLU 213.A OE1 no hydrogen 3.063 N/A LYS 370.A NZ GLU 213.A OE2 no hydrogen 2.632 N/A LYS 370.A NZ GLU 366.A OE2 no hydrogen 2.697 N/A VAL 371.A N LEU 367.A O no hydrogen 2.881 N/A ALA 372.A N GLY 368.A O no hydrogen 3.377 N/A LYS 373.A N LYS 370.A O no hydrogen 3.091 N/A ARG 375.A N GLU 184.A OE1 no hydrogen 2.863 N/A ARG 375.A NH1 PRO 410.A O no hydrogen 2.717 N/A THR 376.A OG1 LYS 374.A O no hydrogen 2.812 N/A THR 376.A OG1 ASN 406.A OD1 no hydrogen 3.484 N/A CYS 377.A N LEU 185.A O no hydrogen 3.011 N/A CYS 377.A SG SER 378.A O no hydrogen 3.919 N/A CYS 377.A SG GLY 413.A O no hydrogen 3.835 N/A SER 378.A N GLY 413.A O no hydrogen 2.881 N/A TYR 379.A N PHE 187.A O no hydrogen 2.723 N/A ILE 380.A N ALA 414.A O no hydrogen 2.759 N/A GLY 381.A N THR 189.A O no hydrogen 2.973 N/A SER 383.A N CYS 190.A O no hydrogen 3.411 N/A SER 384.A N GLY 381.A O no hydrogen 3.184 N/A SER 384.A OG GLU 394.A OE2 no hydrogen 2.463 N/A LYS 386.A N PHE 382.A O no hydrogen 3.325 N/A LYS 386.A NZ GLY 158.A O no hydrogen 2.946 N/A LYS 386.A NZ ASP 159.A OD1 no hydrogen 2.955 N/A LYS 386.A NZ PHE 382.A O no hydrogen 2.961 N/A SER 387.A N SER 384.A O no hydrogen 2.934 N/A SER 387.A OG SER 383.A O no hydrogen 2.782 N/A GLY 390.A N SER 387.A O no hydrogen 2.938 N/A LEU 392.A N ASP 391.A OD1 no hydrogen 2.808 N/A MET 393.A N HIS 389.A O no hydrogen 3.057 N/A GLU 394.A N GLY 390.A O no hydrogen 2.791 N/A ARG 395.A N ASP 391.A O no hydrogen 2.736 N/A ARG 395.A NH1 GLU 762.A O no hydrogen 2.873 N/A ARG 395.A NH2 PHE 750.A O no hydrogen 2.852 N/A ARG 395.A NH2 GLU 762.A O no hydrogen 3.389 N/A ARG 395.A NH2 SER 763.A O no hydrogen 3.090 N/A SER 396.A N LEU 392.A O no hydrogen 3.076 N/A SER 396.A OG LEU 392.A O no hydrogen 2.765 N/A LEU 397.A N MET 393.A O no hydrogen 3.184 N/A PHE 398.A N GLU 394.A O no hydrogen 2.885 N/A LEU 399.A N ARG 395.A O no hydrogen 2.903 N/A ALA 400.A N SER 396.A O no hydrogen 3.211 N/A MET 401.A N LEU 397.A O no hydrogen 2.997 N/A ALA 402.A N PHE 398.A O no hydrogen 2.762 N/A LEU 403.A N LEU 399.A O no hydrogen 2.956 N/A SER 404.A N ALA 400.A O no hydrogen 3.094 N/A SER 404.A OG ALA 400.A O no hydrogen 2.685 N/A SER 404.A OG MET 401.A O no hydrogen 3.195 N/A SER 404.A OG ASN 406.A OD1 no hydrogen 3.024 N/A GLY 405.A N ALA 402.A O no hydrogen 3.070 N/A ASN 406.A N MET 401.A O no hydrogen 2.756 N/A ASN 406.A ND2 LYS 374.A O no hydrogen 3.489 N/A TRP 407.A NE1 GLN 264.A OE1 no hydrogen 2.992 N/A LYS 409.A N THR 412.A OG1 no hydrogen 3.178 N/A LYS 409.A NZ GLY 405.A O no hydrogen 2.766 N/A GLY 411.A N ASN 179.A OD1 no hydrogen 2.944 N/A THR 412.A N LYS 409.A O no hydrogen 2.969 N/A THR 412.A OG1 LYS 409.A O no hydrogen 2.564 N/A TRP 417.A N MET 173.A O no hydrogen 2.984 N/A TYR 419.A N SER 714.A OG no hydrogen 2.884 N/A SER 420.A OG ASP 422.A OD1 no hydrogen 2.914 N/A ASP 422.A N SER 420.A OG no hydrogen 3.383 N/A MET 424.A N ASP 421.A O no hydrogen 3.011 N/A VAL 425.A N ASP 421.A O no hydrogen 2.984 N/A TYR 426.A N ASP 422.A O no hydrogen 2.907 N/A TYR 426.A OH THR 711.A OG1 no hydrogen 2.801 N/A GLY 428.A N MET 424.A O no hydrogen 2.865 N/A VAL 429.A N TYR 426.A O no hydrogen 3.179 N/A MET 430.A N TYR 426.A O no hydrogen 2.867 N/A LYS 432.A NZ GLN 436.A O no hydrogen 3.210 N/A THR 434.A N GLU 678.A OE2 no hydrogen 2.840 N/A THR 434.A OG1 GLU 678.A OE2 no hydrogen 2.763 N/A GLN 436.A N PRO 433.A O no hydrogen 2.876 N/A GLY 437.A N THR 434.A O no hydrogen 3.041 N/A GLY 438.A N PRO 433.A O no hydrogen 2.930 N/A ASP 440.A N GLY 437.A O no hydrogen 2.999 N/A HIS 443.A N MET 439.A O no hydrogen 2.834 N/A GLN 444.A N ASP 440.A O no hydrogen 2.828 N/A MET 445.A N GLU 441.A O no hydrogen 2.851 N/A ALA 446.A N LEU 442.A O no hydrogen 2.876 N/A GLU 447.A N HIS 443.A O no hydrogen 3.333 N/A GLY 448.A N GLN 444.A O no hydrogen 3.071 N/A PHE 449.A N MET 445.A O no hydrogen 3.010 N/A ASN 450.A N ALA 446.A O no hydrogen 3.180 N/A LYS 451.A N GLU 447.A O no hydrogen 2.792 N/A ARG 452.A N GLY 448.A O no hydrogen 2.858 N/A THR 453.A N PHE 449.A O no hydrogen 2.890 N/A THR 453.A OG1 PHE 449.A O no hydrogen 2.575 N/A LEU 454.A N ASN 450.A O no hydrogen 2.950 N/A GLU 455.A N LYS 451.A O no hydrogen 2.955 N/A ALA 456.A N ARG 452.A O no hydrogen 2.938 N/A ASP 457.A N THR 453.A O no hydrogen 2.796 N/A THR 459.A N ASP 457.A OD1 no hydrogen 2.879 N/A THR 459.A OG1 ASP 457.A OD1 no hydrogen 2.498 N/A THR 459.A OG1 ASP 457.A OD2 no hydrogen 3.276 N/A SER 460.A N ASP 457.A O no hydrogen 2.882 N/A SER 460.A OG ASP 457.A O no hydrogen 2.773 N/A MET 464.A N THR 461.A O no hydrogen 2.931 N/A MET 464.A N THR 461.A OG1 no hydrogen 3.389 N/A GLY 465.A N THR 461.A O no hydrogen 3.030 N/A ASN 466.A N ASP 462.A O no hydrogen 2.815 N/A ILE 467.A N GLU 463.A O no hydrogen 3.114 N/A GLU 468.A N MET 464.A O no hydrogen 3.153 N/A PHE 469.A N GLY 465.A O no hydrogen 3.150 N/A MET 470.A N ASN 466.A O no hydrogen 2.866 N/A LYS 471.A N ILE 467.A O no hydrogen 2.850 N/A VAL 472.A N GLU 468.A O no hydrogen 3.183 N/A VAL 473.A N PHE 469.A O no hydrogen 2.906 N/A THR 474.A N MET 470.A O no hydrogen 3.023 N/A THR 474.A OG1 MET 470.A O no hydrogen 2.656 N/A ALA 476.A N VAL 472.A O no hydrogen 3.051 N/A VAL 477.A N VAL 473.A O no hydrogen 3.081 N/A GLY 478.A N SER 475.A O no hydrogen 3.483 N/A LEU 479.A N THR 474.A O no hydrogen 3.179 N/A VAL 480.A N SER 150.A O no hydrogen 3.267 N/A MET 484.A N PRO 481.A O no hydrogen 3.400 N/A LEU 486.A N PRO 482.A O no hydrogen 3.317 N/A TYR 487.A N ALA 483.A O no hydrogen 2.915 N/A TYR 488.A N MET 484.A O no hydrogen 2.943 N/A HIS 489.A N TRP 485.A O no hydrogen 2.716 N/A HIS 489.A NE2 PRO 530.A O no hydrogen 2.832 N/A VAL 490.A N LEU 486.A O no hydrogen 3.052 N/A TYR 492.A N LEU 486.A O no hydrogen 3.251 N/A TYR 492.A OH ARG 551.A O no hydrogen 2.606 N/A GLN 494.A N GLY 491.A O no hydrogen 3.236 N/A LEU 495.A N TYR 492.A O no hydrogen 3.049 N/A TRP 496.A N TYR 492.A O no hydrogen 2.873 N/A TRP 496.A NE1 ILE 873.A O no hydrogen 3.016 N/A ASN 497.A N ASP 493.A O no hydrogen 3.199 N/A ASN 497.A ND2 TYR 487.A OH no hydrogen 2.971 N/A ASN 498.A N LEU 495.A O no hydrogen 3.058 N/A ALA 500.A N ASN 498.A OD1 no hydrogen 3.027 N/A TRP 501.A N ASN 498.A O no hydrogen 3.022 N/A THR 502.A N LYS 499.A O no hydrogen 3.192 N/A THR 502.A OG1 ASN 498.A O no hydrogen 2.950 N/A ASP 503.A N TYR 388.A OH no hydrogen 3.335 N/A ALA 505.A N ASP 503.A OD1 no hydrogen 3.144 N/A LEU 506.A N ASP 503.A O no hydrogen 2.974 N/A LYS 507.A NZ GLU 759.A OE1 no hydrogen 2.820 N/A LYS 508.A NZ GLU 516.A OE1 no hydrogen 2.661 N/A GLY 511.A N ASN 497.A OD1 no hydrogen 2.794 N/A ALA 512.A N SER 509.A OG no hydrogen 3.308 N/A TYR 513.A N SER 509.A O no hydrogen 2.930 N/A LEU 514.A N PHE 510.A O no hydrogen 2.819 N/A ASP 515.A N GLY 511.A O no hydrogen 2.884 N/A GLU 516.A N ALA 512.A O no hydrogen 3.133 N/A ALA 517.A N TYR 513.A O no hydrogen 2.840 N/A LYS 518.A N LEU 514.A O no hydrogen 2.809 N/A LYS 518.A NZ TYR 488.A OH no hydrogen 3.560 N/A GLU 519.A N ASP 515.A O no hydrogen 2.968 N/A LYS 520.A N GLU 516.A O no hydrogen 3.084 N/A LYS 520.A NZ GLU 516.A OE2 no hydrogen 2.702 N/A GLY 521.A N LYS 518.A O no hydrogen 3.167 N/A TRP 522.A N ALA 517.A O no hydrogen 2.916 N/A TRP 523.A NE1 LEU 881.A O no hydrogen 2.852 N/A ASP 526.A N THR 524.A OG1 no hydrogen 3.338 N/A HIS 527.A N THR 524.A O no hydrogen 3.117 N/A ILE 528.A N THR 524.A O no hydrogen 3.108 N/A ARG 529.A N HIS 527.A O no hydrogen 3.164 N/A ARG 529.A NE ASP 120.A OD1 no hydrogen 2.927 N/A ARG 529.A NH2 ASP 120.A OD1 no hydrogen 2.997 N/A ARG 529.A NH2 ASP 147.A O no hydrogen 2.911 N/A ALA 531.A N ASP 120.A OD2 no hydrogen 3.004 N/A LYS 534.A N ALA 531.A O no hydrogen 2.812 N/A LYS 534.A NZ GLN 117.A O no hydrogen 3.149 N/A THR 535.A N GLN 117.A OE1 no hydrogen 3.064 N/A GLN 537.A N GLY 121.A O no hydrogen 2.802 N/A VAL 538.A N GLY 121.A O no hydrogen 2.920 N/A TYR 539.A N MET 567.A O no hydrogen 2.905 N/A TYR 539.A OH ASP 125.A OD2 no hydrogen 2.526 N/A MET 540.A N ILE 123.A O no hydrogen 2.958 N/A LEU 541.A N PHE 569.A O no hydrogen 2.757 N/A GLN 544.A NE2 TYR 539.A OH no hydrogen 3.056 N/A ASN 545.A ND2 ASP 858.A OD1 no hydrogen 2.880 N/A MET 547.A N SER 578.A OG no hydrogen 2.925 N/A ARG 548.A N ASN 545.A O no hydrogen 3.225 N/A ARG 549.A N ASN 545.A O no hydrogen 3.037 N/A ARG 549.A NH1 ALA 126.A O no hydrogen 2.813 N/A ARG 549.A NH1 ASP 156.A OD2 no hydrogen 2.852 N/A ARG 549.A NH2 ALA 126.A O no hydrogen 3.095 N/A LYS 550.A N PRO 546.A O no hydrogen 3.060 N/A LYS 550.A NZ ASP 125.A OD1 no hydrogen 3.022 N/A LYS 550.A NZ ASP 125.A OD2 no hydrogen 3.076 N/A LYS 550.A NZ ASP 156.A OD1 no hydrogen 3.214 N/A LYS 550.A NZ ASP 156.A OD2 no hydrogen 2.534 N/A LYS 550.A NZ GLN 544.A OE1 no hydrogen 2.874 N/A ARG 551.A NE ASP 902.A OD2 no hydrogen 2.875 N/A ARG 551.A NH1 ILE 157.A O no hydrogen 3.153 N/A ARG 551.A NH2 ILE 157.A O no hydrogen 3.091 N/A ARG 551.A NH2 ASP 902.A OD2 no hydrogen 2.938 N/A SER 552.A N ASP 869.A O no hydrogen 2.724 N/A SER 552.A OG ILE 870.A O no hydrogen 2.662 N/A GLY 553.A N LYS 550.A O no hydrogen 2.960 N/A LYS 555.A N SER 552.A O no hydrogen 3.058 N/A LYS 555.A NZ ASP 559.A OD2 no hydrogen 2.416 N/A MET 556.A N SER 552.A O no hydrogen 2.946 N/A PHE 557.A N GLY 553.A O no hydrogen 2.732 N/A ASP 559.A N LYS 555.A O no hydrogen 3.066 N/A VAL 560.A N MET 556.A O no hydrogen 2.898 N/A LEU 561.A N MET 556.A O no hydrogen 3.380 N/A PHE 562.A N PHE 557.A O no hydrogen 2.832 N/A LYS 564.A N LEU 561.A O no hydrogen 2.745 N/A LYS 564.A NZ HIS 489.A O no hydrogen 2.753 N/A LEU 565.A N PHE 562.A O no hydrogen 2.946 N/A LYS 566.A N GLN 537.A O no hydrogen 2.826 N/A MET 567.A N GLN 537.A O no hydrogen 3.059 N/A ILE 568.A N ASP 583.A OD2 no hydrogen 2.691 N/A PHE 569.A N TYR 539.A O no hydrogen 3.066 N/A ALA 570.A N ILE 584.A O no hydrogen 2.932 N/A LEU 571.A N LEU 541.A O no hydrogen 2.843 N/A GLU 572.A N LEU 586.A O no hydrogen 3.062 N/A THR 573.A N GLU 572.A OE1 no hydrogen 3.031 N/A ARG 574.A N GLU 572.A OE1 no hydrogen 3.067 N/A ARG 574.A NH1 THR 796.A OG1 no hydrogen 2.988 N/A ARG 574.A NH1 ASP 858.A OD2 no hydrogen 2.969 N/A ARG 574.A NH2 ASP 858.A OD2 no hydrogen 2.865 N/A MET 575.A N GLU 77.A O no hydrogen 3.059 N/A SER 576.A N ARG 574.A O no hydrogen 2.936 N/A SER 577.A OG ASN 545.A OD1 no hydrogen 3.104 N/A SER 577.A OG ASP 858.A OD1 no hydrogen 2.566 N/A SER 578.A N ASN 545.A OD1 no hydrogen 3.137 N/A SER 578.A OG ASN 545.A OD1 no hydrogen 2.620 N/A ALA 579.A N SER 576.A OG no hydrogen 2.950 N/A MET 580.A N SER 576.A O no hydrogen 3.190 N/A TYR 581.A N SER 578.A O no hydrogen 2.987 N/A ALA 582.A N ALA 579.A O no hydrogen 2.982 N/A ASP 583.A N ILE 568.A O no hydrogen 2.745 N/A ILE 584.A N ILE 568.A O no hydrogen 3.246 N/A VAL 585.A N LEU 83.A O no hydrogen 2.895 N/A LEU 586.A N ALA 570.A O no hydrogen 2.721 N/A CYS 588.A N GLU 572.A O no hydrogen 2.858 N/A CYS 588.A SG LEU 586.A O no hydrogen 3.698 N/A ALA 589.A N ARG 621.A O no hydrogen 2.834 N/A TRP 590.A N GLU 593.A OE1 no hydrogen 2.840 N/A TYR 591.A OH HIS 130.A O no hydrogen 3.163 N/A TYR 592.A OH HIS 18.A NE2 no hydrogen 2.752 N/A TYR 592.A OH GLU 42.A OE1 no hydrogen 2.502 N/A GLU 593.A N TRP 590.A O no hydrogen 3.073 N/A LYS 594.A NZ ALA 131.A O no hydrogen 2.902 N/A LYS 594.A NZ ALA 589.A O no hydrogen 2.732 N/A LYS 594.A NZ GLU 623.A OE1 no hydrogen 2.968 N/A LYS 594.A NZ GLU 623.A OE2 no hydrogen 2.944 N/A GLU 596.A N VAL 610.A O no hydrogen 2.918 N/A MET 597.A N GLU 596.A OE1 no hydrogen 2.849 N/A THR 598.A N THR 608.A O no hydrogen 2.876 N/A THR 598.A OG1 SER 27.A OG no hydrogen 2.978 N/A THR 598.A OG1 THR 608.A O no hydrogen 3.485 N/A THR 599.A OG1 THR 599.A O no hydrogen 2.566 N/A CYS 601.A SG ALA 416.A O no hydrogen 3.565 N/A SER 602.A N ALA 418.A O no hydrogen 3.002 N/A SER 602.A OG TYR 175.A O no hydrogen 2.775 N/A ASN 604.A ND2 GLY 26.A O no hydrogen 2.861 N/A ASN 604.A ND2 SER 199.A OG no hydrogen 3.123 N/A PHE 606.A N ASN 604.A O no hydrogen 2.952 N/A PHE 607.A N THR 704.A O no hydrogen 2.827 N/A THR 608.A N THR 598.A OG1 no hydrogen 2.820 N/A THR 608.A OG1 SER 27.A O no hydrogen 2.746 N/A PHE 609.A N GLY 702.A O no hydrogen 2.812 N/A VAL 610.A N GLU 596.A O no hydrogen 2.903 N/A ASP 611.A N TRP 15.A O no hydrogen 3.011 N/A ARG 612.A N ASP 611.A OD1 no hydrogen 2.820 N/A SER 613.A N TYR 592.A O no hydrogen 2.703 N/A VAL 614.A N TYR 592.A O no hydrogen 3.441 N/A GLU 619.A N LYS 80.A O no hydrogen 2.708 N/A CYS 620.A N PRO 617.A O no hydrogen 2.996 N/A CYS 620.A SG VAL 79.A O no hydrogen 3.596 N/A CYS 620.A SG CYS 588.A O no hydrogen 3.459 N/A CYS 620.A SG PRO 617.A O no hydrogen 3.249 N/A ARG 621.A N PRO 587.A O no hydrogen 2.964 N/A ARG 621.A NH1 ASP 625.A OD2 no hydrogen 2.915 N/A GLU 623.A N GLU 623.A OE1 no hydrogen 2.780 N/A TRP 624.A NE1 LEU 669.A O no hydrogen 2.850 N/A ALA 626.A N GLU 622.A O no hydrogen 2.921 N/A ILE 627.A N GLU 623.A O no hydrogen 2.793 N/A ALA 628.A N TRP 624.A O no hydrogen 2.730 N/A LEU 629.A N ASP 625.A O no hydrogen 2.812 N/A ILE 630.A N ALA 626.A O no hydrogen 2.958 N/A LEU 631.A N ILE 627.A O no hydrogen 2.903 N/A LYS 632.A N ALA 628.A O no hydrogen 2.851 N/A LYS 632.A NZ GLU 636.A OE2 no hydrogen 2.271 N/A LYS 633.A N LEU 629.A O no hydrogen 2.917 N/A LYS 633.A NZ ASP 100.A OD1 no hydrogen 2.758 N/A LYS 633.A NZ GLU 636.A OE1 no hydrogen 3.248 N/A VAL 634.A N ILE 630.A O no hydrogen 2.746 N/A GLY 635.A N LEU 631.A O no hydrogen 3.126 N/A GLU 636.A N LYS 632.A O no hydrogen 2.771 N/A ARG 637.A N LYS 633.A O no hydrogen 2.726 N/A ARG 637.A NE ASP 108.A OD1 no hydrogen 3.258 N/A ARG 637.A NE ASP 108.A OD2 no hydrogen 3.468 N/A ARG 637.A NH2 ASP 108.A OD1 no hydrogen 3.235 N/A ARG 637.A NH2 ASP 108.A OD2 no hydrogen 3.156 N/A ALA 638.A N VAL 634.A O no hydrogen 2.862 N/A ALA 639.A N GLY 635.A O no hydrogen 2.899 N/A ALA 640.A N GLU 636.A O no hydrogen 2.869 N/A ARG 641.A N ARG 637.A O no hydrogen 2.887 N/A ARG 641.A NH1 ASP 108.A O no hydrogen 3.414 N/A ARG 641.A NH1 ASP 108.A OD1 no hydrogen 2.977 N/A ARG 641.A NH1 ASP 112.A OD1 no hydrogen 3.224 N/A ARG 641.A NH2 ASP 112.A OD1 no hydrogen 2.683 N/A GLY 642.A N ALA 639.A O no hydrogen 2.974 N/A LEU 643.A N ALA 638.A O no hydrogen 2.920 N/A PHE 646.A N ARG 654.A O no hydrogen 2.914 N/A ASP 648.A N ARG 652.A O no hydrogen 2.762 N/A HIS 649.A N ASP 147.A OD2 no hydrogen 2.619 N/A HIS 649.A ND1 ASP 147.A OD2 no hydrogen 2.566 N/A HIS 649.A NE2 ASP 526.A OD1 no hydrogen 2.754 N/A ASN 650.A N ASP 648.A OD1 no hydrogen 2.986 N/A GLY 651.A N ASP 648.A O no hydrogen 2.961 N/A ARG 652.A N ASP 648.A OD1 no hydrogen 2.849 N/A LYS 653.A NZ ASN 647.A OD1 no hydrogen 3.351 N/A LYS 653.A NZ GLY 651.A O no hydrogen 3.417 N/A ARG 654.A N PHE 646.A O no hydrogen 2.818 N/A ARG 654.A NE ASP 648.A OD2 no hydrogen 3.475 N/A ARG 654.A NH1 TYR 144.A O no hydrogen 2.978 N/A ARG 654.A NH1 LEU 145.A O no hydrogen 2.940 N/A ARG 654.A NH2 ASP 648.A OD2 no hydrogen 3.339 N/A ARG 655.A NE ASP 657.A OD1 no hydrogen 2.950 N/A ARG 655.A NE ASP 657.A OD2 no hydrogen 3.447 N/A ARG 655.A NH2 ASP 657.A OD2 no hydrogen 2.792 N/A TYR 656.A N THR 644.A O no hydrogen 3.030 N/A TYR 656.A OH GLU 115.A OE2 no hydrogen 3.009 N/A LEU 659.A N TYR 656.A O no hydrogen 3.339 N/A LYS 662.A N GLU 658.A O no hydrogen 2.967 N/A PHE 663.A N LEU 659.A O no hydrogen 2.887 N/A THR 664.A N TYR 660.A O no hydrogen 3.015 N/A THR 664.A OG1 TYR 660.A O no hydrogen 2.988 N/A THR 664.A OG1 LYS 661.A O no hydrogen 3.496 N/A MET 665.A N LYS 662.A O no hydrogen 3.101 N/A ASP 666.A N LYS 661.A O no hydrogen 2.653 N/A GLY 667.A N THR 664.A OG1 no hydrogen 3.024 N/A HIS 668.A N MET 665.A O no hydrogen 3.182 N/A LEU 669.A N THR 664.A O no hydrogen 2.791 N/A LEU 670.A N ASP 674.A OD2 no hydrogen 2.891 N/A THR 671.A N ASP 674.A OD2 no hydrogen 3.066 N/A ASN 672.A N GLU 622.A OE1 no hydrogen 2.854 N/A ASN 672.A ND2 HIS 595.A O no hydrogen 2.892 N/A ASP 674.A N THR 671.A OG1 no hydrogen 3.097 N/A CYS 675.A N THR 671.A O no hydrogen 3.066 N/A CYS 675.A SG THR 671.A O no hydrogen 3.632 N/A LEU 676.A N ASN 672.A O no hydrogen 2.749 N/A LYS 677.A N GLU 673.A O no hydrogen 3.036 N/A GLU 678.A N ASP 674.A O no hydrogen 3.133 N/A MET 679.A N CYS 675.A O no hydrogen 2.778 N/A VAL 680.A N LEU 676.A O no hydrogen 2.861 N/A ASP 681.A N LYS 677.A O no hydrogen 3.096 N/A ILE 682.A N GLU 678.A O no hydrogen 2.834 N/A ASN 683.A N MET 679.A O no hydrogen 2.920 N/A ARG 684.A N VAL 680.A O no hydrogen 2.932 N/A ARG 684.A NE LYS 691.A O no hydrogen 2.799 N/A ARG 684.A NH1 ASP 681.A OD1 no hydrogen 3.014 N/A ARG 684.A NH2 LYS 691.A O no hydrogen 2.936 N/A ALA 685.A N ASP 681.A O no hydrogen 2.932 N/A VAL 686.A N ILE 682.A O no hydrogen 3.040 N/A PHE 689.A N ASN 683.A O no hydrogen 2.874 N/A TYR 693.A N ALA 690.A O no hydrogen 3.030 N/A TYR 693.A OH GLU 701.A OE1 no hydrogen 2.880 N/A TYR 695.A OH GLU 673.A OE2 no hydrogen 2.784 N/A LYS 697.A N THR 694.A OG1 no hydrogen 3.320 N/A LYS 697.A NZ ASP 692.A O no hydrogen 3.223 N/A PHE 698.A N THR 694.A O no hydrogen 2.923 N/A LYS 699.A N TYR 695.A O no hydrogen 2.779 N/A LYS 699.A NZ GLU 696.A OE1 no hydrogen 3.153 N/A LYS 700.A N GLU 696.A O no hydrogen 3.198 N/A LYS 700.A NZ GLU 696.A OE2 no hydrogen 3.306 N/A GLU 701.A N LYS 697.A O no hydrogen 2.943 N/A GLY 702.A N PHE 698.A O no hydrogen 2.795 N/A GLN 703.A NE2 THR 48.A OG1 no hydrogen 2.833 N/A THR 704.A N PHE 607.A O no hydrogen 2.969 N/A ARG 705.A NH1 PRO 49.A O no hydrogen 2.954 N/A ARG 705.A NH2 PRO 49.A O no hydrogen 2.892 N/A PHE 706.A N PRO 605.A O no hydrogen 3.066 N/A LEU 707.A N VAL 688.A O no hydrogen 2.829 N/A SER 708.A OG VAL 686.A O no hydrogen 3.556 N/A GLY 710.A N SER 708.A OG no hydrogen 3.073 N/A THR 711.A N ASP 422.A OD1 no hydrogen 3.482 N/A THR 711.A N ASP 422.A OD2 no hydrogen 2.764 N/A THR 711.A OG1 ASP 422.A OD2 no hydrogen 2.576 N/A THR 711.A OG1 TYR 426.A OH no hydrogen 2.801 N/A SER 714.A OG TYR 419.A O no hydrogen 2.868 N/A ARG 715.A N GLY 712.A O no hydrogen 3.108 N/A ARG 715.A NH1 GLY 710.A O no hydrogen 3.184 N/A TYR 716.A N VAL 713.A O no hydrogen 2.944 N/A ALA 717.A N VAL 713.A O no hydrogen 2.833 N/A HIS 718.A N SER 714.A O no hydrogen 3.043 N/A ASN 720.A ND2 TYR 729.A O no hydrogen 2.829 N/A GLU 721.A N ASN 720.A OD1 no hydrogen 2.923 N/A THR 725.A N ASP 723.A OD1 no hydrogen 2.888 N/A THR 725.A OG1 ASP 723.A OD1 no hydrogen 2.599 N/A THR 725.A OG1 ASP 723.A OD2 no hydrogen 3.256 N/A LYS 726.A N ASP 723.A O no hydrogen 3.015 N/A LYS 726.A NZ ASP 723.A OD2 no hydrogen 3.514 N/A ILE 728.A N SER 176.A OG no hydrogen 2.873 N/A MET 731.A N HIS 718.A O no hydrogen 2.827 N/A ARG 732.A NE ASN 720.A OD1 no hydrogen 2.787 N/A ARG 732.A NE GLU 721.A OE2 no hydrogen 3.227 N/A ARG 732.A NH1 ASP 736.A OD2 no hydrogen 2.950 N/A ARG 732.A NH2 GLU 721.A OE1 no hydrogen 3.331 N/A ARG 732.A NH2 GLU 721.A OE2 no hydrogen 2.602 N/A TRP 733.A N ALA 719.A O no hydrogen 2.920 N/A TRP 733.A NE1 GLU 721.A OE1 no hydrogen 3.021 N/A HIS 734.A ND1 LYS 739.A O no hydrogen 2.733 N/A PHE 735.A N MET 731.A O no hydrogen 3.222 N/A ASP 736.A N ARG 732.A O no hydrogen 2.760 N/A ASP 737.A N TRP 733.A O no hydrogen 3.096 N/A LYS 738.A NZ GLU 263.A OE1 no hydrogen 2.897 N/A LYS 738.A NZ GLU 263.A OE2 no hydrogen 2.530 N/A LYS 738.A NZ PHE 735.A O no hydrogen 2.643 N/A LYS 739.A N TRP 733.A O no hydrogen 2.926 N/A LYS 739.A NZ ASP 462.A OD1 no hydrogen 2.593 N/A PHE 741.A N ARG 746.A O no hydrogen 2.931 N/A THR 743.A N PHE 741.A O no hydrogen 2.809 N/A THR 743.A OG1 ARG 747.A O no hydrogen 2.610 N/A HIS 744.A N GLN 887.A OE1 no hydrogen 2.788 N/A THR 745.A N GLN 749.A OE1 no hydrogen 3.119 N/A THR 745.A OG1 ARG 747.A O no hydrogen 3.448 N/A THR 745.A OG1 GLN 749.A OE1 no hydrogen 2.914 N/A ARG 746.A N THR 743.A O no hydrogen 2.982 N/A ARG 746.A NH1 ARG 307.A O no hydrogen 2.768 N/A ARG 746.A NH1 THR 459.A OG1 no hydrogen 2.836 N/A ARG 746.A NH2 ASP 457.A OD2 no hydrogen 2.696 N/A ARG 747.A N THR 745.A OG1 no hydrogen 3.224 N/A ARG 747.A NH1 SER 306.A O no hydrogen 2.890 N/A ARG 747.A NH1 THR 745.A O no hydrogen 3.033 N/A ARG 747.A NH2 SER 306.A O no hydrogen 2.823 N/A ALA 748.A N GLN 264.A O no hydrogen 2.912 N/A GLN 749.A N THR 167.A O no hydrogen 2.730 N/A GLN 749.A NE2 TYR 751.A O no hydrogen 2.747 N/A GLN 749.A NE2 TYR 885.A OH no hydrogen 3.048 N/A PHE 750.A N ASP 266.A OD1 no hydrogen 2.839 N/A TYR 751.A N ASP 266.A OD2 no hydrogen 2.776 N/A TYR 751.A OH GLY 276.A O no hydrogen 2.524 N/A LEU 752.A N SER 763.A O no hydrogen 2.774 N/A ASP 753.A N TYR 885.A OH no hydrogen 3.133 N/A HIS 754.A NE2 GLY 883.A O no hydrogen 2.631 N/A TRP 756.A N HIS 754.A ND1 no hydrogen 3.152 N/A TRP 756.A NE1 GLU 516.A OE2 no hydrogen 2.910 N/A LEU 758.A N HIS 754.A O no hydrogen 2.967 N/A GLU 759.A N ASP 755.A O no hydrogen 2.912 N/A ALA 760.A N TRP 756.A O no hydrogen 2.937 N/A GLY 761.A N LEU 758.A O no hydrogen 3.302 N/A GLU 762.A N TYR 757.A O no hydrogen 2.790 N/A THR 766.A OG1 TYR 348.A OH no hydrogen 3.162 N/A HIS 767.A N TYR 348.A OH no hydrogen 2.946 N/A LYS 768.A NZ ASP 503.A OD2 no hydrogen 2.561 N/A LYS 768.A NZ ALA 760.A O no hydrogen 2.800 N/A LYS 768.A NZ GLU 762.A OE2 no hydrogen 2.640 N/A GLY 775.A N MET 772.A O no hydrogen 3.078 N/A PHE 779.A N VAL 907.A O no hydrogen 2.926 N/A LYS 780.A N LYS 850.A O no hydrogen 2.867 N/A LYS 780.A NZ VAL 236.A O no hydrogen 3.220 N/A LYS 780.A NZ THR 770.A OG1 no hydrogen 3.118 N/A ILE 781.A N VAL 905.A O no hydrogen 2.850 N/A THR 782.A N CYS 852.A O no hydrogen 2.817 N/A ARG 787.A NH2 SER 194.A OG no hydrogen 3.066 N/A SER 789.A OG HIS 791.A O no hydrogen 2.533 N/A SER 789.A OG HIS 794.A ND1 no hydrogen 3.419 N/A ILE 790.A N HIS 794.A ND1 no hydrogen 3.031 N/A HIS 791.A NE2 ILE 21.A O no hydrogen 2.863 N/A THR 793.A N ILE 790.A O no hydrogen 3.017 N/A THR 793.A OG1 ILE 790.A O no hydrogen 3.204 N/A HIS 794.A N SER 789.A OG no hydrogen 2.892 N/A LEU 795.A N SER 792.A O no hydrogen 3.149 N/A ASN 797.A N HIS 794.A O no hydrogen 3.100 N/A ASN 797.A ND2 GLU 77.A OE2 no hydrogen 2.834 N/A LEU 800.A N ASN 797.A OD1 no hydrogen 3.019 N/A SER 801.A N ASN 797.A O no hydrogen 2.923 N/A SER 801.A OG ASN 797.A O no hydrogen 2.764 N/A ARG 802.A N SER 798.A O no hydrogen 3.186 N/A LEU 803.A N LEU 800.A O no hydrogen 3.123 N/A HIS 804.A N SER 801.A O no hydrogen 3.381 N/A ARG 805.A NH1 VAL 841.A O no hydrogen 2.936 N/A ARG 805.A NH2 ASP 824.A OD1 no hydrogen 2.846 N/A GLY 806.A N HIS 804.A ND1 no hydrogen 3.018 N/A VAL 810.A N MET 840.A O no hydrogen 2.725 N/A HIS 811.A N ILE 853.A O no hydrogen 2.753 N/A MET 812.A N ARG 842.A O no hydrogen 2.833 N/A ASN 813.A ND2 VAL 847.A O no hydrogen 2.810 N/A SER 814.A N ALA 844.A O no hydrogen 3.213 N/A LYS 815.A N ASN 813.A OD1 no hydrogen 2.874 N/A LYS 815.A NZ GLU 819.A OE2 no hydrogen 2.632 N/A ASP 816.A N ASN 813.A OD1 no hydrogen 3.274 N/A ALA 817.A N ASN 813.A O no hydrogen 2.949 N/A ALA 818.A N SER 814.A O no hydrogen 2.910 N/A GLU 819.A N LYS 815.A O no hydrogen 2.847 N/A LEU 820.A N ASP 816.A O no hydrogen 3.305 N/A LEU 820.A N ALA 817.A O no hydrogen 2.972 N/A GLY 821.A N ALA 818.A O no hydrogen 3.066 N/A ILE 822.A N ALA 817.A O no hydrogen 2.870 N/A LYS 823.A N ASP 826.A OD2 no hydrogen 2.616 N/A GLY 825.A N VAL 841.A O no hydrogen 2.758 N/A ASP 826.A N LYS 823.A O no hydrogen 2.991 N/A ALA 828.A N ILE 839.A O no hydrogen 2.800 N/A LYS 829.A N LYS 910.A O no hydrogen 2.799 N/A LYS 829.A NZ GLU 838.A OE1 no hydrogen 2.622 N/A LEU 830.A N CYS 837.A O no hydrogen 2.903 N/A PHE 831.A N SER 908.A O no hydrogen 3.014 N/A ASN 832.A N ALA 835.A O no hydrogen 3.048 N/A ASN 832.A ND2 LEU 871.A O no hydrogen 2.984 N/A ASN 832.A ND2 ARG 906.A O no hydrogen 2.995 N/A ASP 833.A N GLY 774.A O no hydrogen 2.799 N/A PHE 834.A N ASN 832.A OD1 no hydrogen 2.956 N/A ALA 835.A N ASN 832.A OD1 no hydrogen 3.316 N/A CYS 837.A N LEU 830.A O no hydrogen 2.827 N/A ILE 839.A N ALA 828.A O no hydrogen 2.920 N/A VAL 841.A N ASP 826.A O no hydrogen 2.741 N/A ARG 842.A N VAL 810.A O no hydrogen 2.821 N/A ARG 842.A NH1 HIS 811.A NE2 no hydrogen 3.352 N/A THR 843.A N ASP 824.A OD1 no hydrogen 3.086 N/A ALA 844.A N MET 812.A O no hydrogen 2.872 N/A GLN 848.A N GLN 851.A OE1 no hydrogen 2.994 N/A GLN 848.A NE2 PRO 219.A O no hydrogen 2.694 N/A GLN 848.A NE2 VAL 234.A O no hydrogen 2.968 N/A LYS 850.A N ASP 816.A OD2 no hydrogen 2.736 N/A LYS 850.A NZ ASP 816.A OD1 no hydrogen 2.755 N/A GLN 851.A N GLN 848.A O no hydrogen 2.883 N/A GLN 851.A NE2 ASP 220.A OD1 no hydrogen 3.031 N/A GLN 851.A NE2 THR 782.A OG1 no hydrogen 2.966 N/A CYS 852.A N LYS 780.A O no hydrogen 3.062 N/A ILE 853.A N HIS 811.A O no hydrogen 3.029 N/A VAL 854.A N THR 782.A O no hydrogen 2.939 N/A PHE 856.A N GLY 784.A O no hydrogen 3.316 N/A ASP 858.A N GLN 861.A OE1 no hydrogen 2.795 N/A ALA 859.A N ASP 858.A OD1 no hydrogen 2.876 N/A HIS 860.A NE2 MET 575.A O no hydrogen 2.812 N/A GLN 861.A N ASP 858.A O no hydrogen 3.060 N/A TYR 862.A N ALA 859.A O no hydrogen 3.171 N/A LYS 863.A NZ GLU 838.A OE2 no hydrogen 2.852 N/A TRP 865.A N TYR 862.A O no hydrogen 2.691 N/A LYS 866.A N LYS 863.A O no hydrogen 3.350 N/A LYS 866.A NZ ASP 836.A OD1 no hydrogen 3.049 N/A ILE 870.A N PRO 867.A O no hydrogen 2.971 N/A LEU 871.A N TYR 868.A O no hydrogen 3.134 N/A LEU 872.A N ASP 869.A O no hydrogen 3.093 N/A ILE 873.A N SER 552.A OG no hydrogen 2.894 N/A GLY 874.A N LEU 872.A O no hydrogen 2.723 N/A LYS 877.A NZ HIS 389.A ND1 no hydrogen 2.907 N/A LYS 877.A NZ ASP 391.A OD1 no hydrogen 2.806 N/A LYS 877.A NZ ASP 391.A OD2 no hydrogen 3.324 N/A LYS 877.A NZ GLU 762.A OE1 no hydrogen 2.894 N/A LYS 877.A NZ GLU 762.A OE2 no hydrogen 3.261 N/A HIS 880.A N LYS 877.A O no hydrogen 2.985 N/A HIS 880.A NE2 ASP 391.A OD2 no hydrogen 2.751 N/A LEU 881.A N PRO 878.A O no hydrogen 2.997 N/A ALA 882.A N LEU 879.A O no hydrogen 3.035 N/A TYR 885.A OH ASP 753.A OD1 no hydrogen 2.426 N/A GLN 887.A N GLN 887.A OE1 no hydrogen 2.970 N/A GLN 887.A NE2 HIS 166.A O no hydrogen 2.899 N/A GLN 887.A NE2 GLN 749.A OE1 no hydrogen 3.113 N/A PHE 888.A N TYR 885.A O no hydrogen 2.861 N/A ARG 889.A NH2 GLY 169.A O no hydrogen 2.934 N/A ARG 889.A NH2 PRO 742.A O no hydrogen 2.900 N/A TYR 890.A OH ASP 152.A OD2 no hydrogen 2.436 N/A TYR 891.A N ASN 894.A O no hydrogen 3.037 N/A PHE 892.A N THR 474.A OG1 no hydrogen 2.897 N/A MET 893.A N ASP 152.A OD2 no hydrogen 2.678 N/A ASN 894.A N TYR 891.A O no hydrogen 2.808 N/A ASN 894.A ND2 HIS 172.A NE2 no hydrogen 3.163 N/A ASN 894.A ND2 PHE 892.A O no hydrogen 2.698 N/A SER 896.A OG GLY 895.A O no hydrogen 2.628 N/A THR 901.A OG1 MET 875.A O no hydrogen 2.425 N/A ASP 902.A N VAL 900.A O no hydrogen 2.838 N/A ARG 903.A N LYS 386.A O no hydrogen 2.877 N/A ARG 903.A NE SER 383.A OG no hydrogen 2.755 N/A ARG 903.A NH1 ASP 902.A OD1 no hydrogen 2.666 N/A ARG 903.A NH2 SER 383.A OG no hydrogen 3.277 N/A GLY 904.A N ILE 781.A O no hydrogen 2.755 N/A VAL 905.A N ASP 902.A O no hydrogen 3.339 N/A ARG 906.A N VAL 773.A O no hydrogen 2.854 N/A ARG 906.A NH1 HIS 777.A O no hydrogen 2.912 N/A VAL 907.A N PHE 779.A O no hydrogen 3.030 N/A SER 908.A N PHE 831.A O no hydrogen 2.709 N/A LYS 910.A N LYS 829.A O no hydrogen 3.035 N/A LYS 911.A NZ ALA 912.A O no hydrogen 2.729 N/A ALA 912.A N MET 827.A O no hydrogen 2.827 N/A