Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ahj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLN 82.A O no hydrogen 2.922 N/A THR 4.A OG1 THR 4.A O no hydrogen 2.589 N/A THR 4.A OG1 HIS 81.A O no hydrogen 3.076 N/A TRP 6.A N GLN 83.A OE1 no hydrogen 2.734 N/A TRP 6.A NE1 PRO 168.A O no hydrogen 2.866 N/A GLN 7.A NE2 PRO 5.A O no hydrogen 3.411 N/A LYS 8.A NZ ASP 272.A OD1 no hydrogen 2.870 N/A ARG 11.A NH1 PRO 12.A O no hydrogen 2.947 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.865 N/A ALA 17.A N SER 14.A O no hydrogen 3.071 N/A ALA 17.A N SER 14.A OG no hydrogen 2.998 N/A ILE 18.A N SER 14.A O no hydrogen 3.145 N/A GLU 19.A N GLU 15.A O no hydrogen 2.948 N/A GLY 20.A N GLU 16.A O no hydrogen 3.051 N/A MET 21.A N ALA 17.A O no hydrogen 3.043 N/A ASP 22.A N ILE 18.A O no hydrogen 3.113 N/A LYS 23.A N GLU 19.A O no hydrogen 3.119 N/A LYS 23.A NZ ASP 355.A OD1 no hydrogen 3.415 N/A TYR 24.A N GLY 20.A O no hydrogen 2.715 N/A TRP 25.A N MET 21.A O no hydrogen 2.888 N/A TRP 25.A NE1 PRO 65.A O no hydrogen 2.825 N/A ARG 26.A N ASP 22.A O no hydrogen 2.953 N/A ARG 26.A NE TYR 340.A O no hydrogen 2.968 N/A ARG 26.A NH2 TYR 340.A O no hydrogen 3.049 N/A ARG 26.A NH2 LYS 341.A O no hydrogen 3.442 N/A ARG 26.A NH2 GLU 344.A OE1 no hydrogen 2.994 N/A VAL 27.A N LYS 23.A O no hydrogen 2.902 N/A THR 28.A N TYR 24.A O no hydrogen 2.885 N/A THR 28.A OG1 TYR 24.A O no hydrogen 2.760 N/A THR 28.A OG1 TRP 25.A O no hydrogen 3.369 N/A ASN 29.A N TRP 25.A O no hydrogen 2.935 N/A TYR 30.A N ARG 26.A O no hydrogen 2.923 N/A TYR 30.A OH PRO 42.A O no hydrogen 2.555 N/A MET 31.A N VAL 27.A O no hydrogen 2.818 N/A SER 32.A N THR 28.A O no hydrogen 2.958 N/A SER 32.A N ASN 29.A O no hydrogen 3.244 N/A SER 32.A OG THR 28.A O no hydrogen 2.618 N/A ILE 33.A N ASN 29.A O no hydrogen 2.963 N/A GLY 34.A N TYR 30.A O no hydrogen 2.936 N/A GLN 35.A N MET 31.A O no hydrogen 2.967 N/A GLN 35.A NE2 THR 99.A OG1 no hydrogen 2.695 N/A ILE 36.A N SER 32.A O no hydrogen 3.184 N/A TYR 37.A N ILE 33.A O no hydrogen 2.914 N/A TYR 37.A OH PRO 319.A O no hydrogen 2.490 N/A LEU 38.A N GLY 34.A O no hydrogen 2.901 N/A ARG 39.A N ASP 52.A O no hydrogen 2.822 N/A SER 40.A N ASP 52.A O no hydrogen 3.376 N/A SER 40.A OG ASP 52.A OD1 no hydrogen 2.543 N/A ASN 41.A ND2 LYS 45.A O no hydrogen 2.727 N/A ASN 41.A ND2 ASP 52.A OD2 no hydrogen 3.287 N/A MET 44.A N ASN 41.A O no hydrogen 3.060 N/A LYS 45.A N ASN 41.A OD1 no hydrogen 2.768 N/A LYS 45.A NZ GLU 119.A OE1 no hydrogen 2.621 N/A THR 49.A N ASP 52.A OD2 no hydrogen 3.182 N/A ARG 50.A NE ARG 324.A O no hydrogen 2.797 N/A ARG 50.A NH2 ARG 324.A O no hydrogen 3.422 N/A ASP 51.A N THR 49.A OG1 no hydrogen 3.203 N/A ASP 52.A N THR 49.A O no hydrogen 2.772 N/A VAL 53.A N ARG 50.A O no hydrogen 2.951 N/A LYS 54.A N TYR 37.A O no hydrogen 2.742 N/A LYS 54.A NZ GLN 35.A O no hydrogen 2.851 N/A LYS 54.A NZ PHE 126.A O no hydrogen 3.023 N/A LYS 54.A NZ ARG 127.A O no hydrogen 2.973 N/A TRP 61.A N GLN 317.A O no hydrogen 2.810 N/A TRP 61.A NE1 GLY 297.A O no hydrogen 2.915 N/A GLY 62.A N HIS 316.A O no hydrogen 3.315 N/A THR 64.A N TRP 61.A O no hydrogen 3.032 N/A THR 64.A OG1 HIS 60.A O no hydrogen 2.739 N/A LEU 67.A N THR 63.A O no hydrogen 3.170 N/A ASN 68.A N THR 64.A O no hydrogen 2.890 N/A ASN 68.A ND2 ASN 29.A OD1 no hydrogen 2.933 N/A ASN 68.A ND2 SER 32.A OG no hydrogen 3.245 N/A PHE 69.A N PRO 65.A O no hydrogen 3.088 N/A LEU 70.A N GLY 66.A O no hydrogen 2.995 N/A LEU 71.A N LEU 67.A O no hydrogen 2.837 N/A ALA 72.A N ASN 68.A O no hydrogen 3.022 N/A HIS 73.A N PHE 69.A O no hydrogen 3.248 N/A HIS 73.A NE2 HIS 256.A ND1 no hydrogen 2.991 N/A ILE 74.A N LEU 70.A O no hydrogen 2.739 N/A ASN 75.A N LEU 71.A O no hydrogen 2.829 N/A ASN 75.A ND2 LEU 71.A O no hydrogen 3.232 N/A ASN 75.A ND2 GLN 101.A OE1 no hydrogen 3.018 N/A ARG 76.A N ALA 72.A O no hydrogen 2.931 N/A ARG 76.A NH1 ASP 80.A OD2 no hydrogen 3.062 N/A ARG 76.A NH1 GLU 264.A OE2 no hydrogen 2.791 N/A ARG 76.A NH2 GLU 264.A OE2 no hydrogen 2.938 N/A LEU 77.A N HIS 73.A O no hydrogen 3.037 N/A ILE 78.A N ILE 74.A O no hydrogen 2.848 N/A ALA 79.A N ASN 75.A O no hydrogen 3.006 N/A ASP 80.A N ARG 76.A O no hydrogen 2.978 N/A HIS 81.A N LEU 77.A O no hydrogen 2.957 N/A HIS 81.A ND1 GLN 7.A O no hydrogen 2.608 N/A HIS 81.A NE2 GLU 264.A OE2 no hydrogen 2.716 N/A GLN 82.A NE2 ALA 79.A O no hydrogen 2.862 N/A GLN 83.A N ILE 78.A O no hydrogen 3.102 N/A GLN 83.A NE2 ASN 84.A O no hydrogen 3.021 N/A GLN 83.A NE2 SER 169.A O no hydrogen 3.015 N/A ASN 84.A ND2 SER 169.A O no hydrogen 3.454 N/A ASN 84.A ND2 SER 169.A OG no hydrogen 2.919 N/A THR 85.A OG1 GLN 83.A O no hydrogen 2.781 N/A VAL 86.A N PHE 171.A O no hydrogen 3.245 N/A ILE 88.A N PRO 173.A O no hydrogen 3.106 N/A GLY 90.A N ILE 175.A O no hydrogen 2.681 N/A GLY 92.A N GLY 90.A O no hydrogen 2.907 N/A GLY 92.A N GLY 150.A O no hydrogen 3.281 N/A GLY 94.A N PRO 91.A O no hydrogen 2.753 N/A ALA 97.A N GLY 94.A O no hydrogen 2.889 N/A GLY 98.A N GLY 95.A O no hydrogen 2.784 N/A THR 99.A N GLY 95.A O no hydrogen 2.906 N/A THR 99.A OG1 GLY 95.A O no hydrogen 3.515 N/A THR 99.A OG1 PRO 96.A O no hydrogen 3.192 N/A SER 100.A N PRO 96.A O no hydrogen 2.890 N/A SER 100.A OG GLN 35.A OE1 no hydrogen 3.290 N/A SER 100.A OG PRO 96.A O no hydrogen 2.657 N/A GLN 101.A N ALA 97.A O no hydrogen 3.061 N/A GLN 101.A NE2 ASP 105.A OD2 no hydrogen 2.918 N/A SER 102.A N GLY 98.A O no hydrogen 3.273 N/A SER 102.A OG THR 107.A OG1 no hydrogen 2.718 N/A TYR 103.A N THR 99.A O no hydrogen 2.929 N/A TYR 103.A OH THR 116.A O no hydrogen 2.867 N/A VAL 104.A N SER 100.A O no hydrogen 2.881 N/A ASP 105.A N GLN 101.A O no hydrogen 2.836 N/A GLY 106.A N SER 102.A O no hydrogen 3.076 N/A THR 107.A N ASP 105.A OD1 no hydrogen 2.865 N/A THR 107.A OG1 SER 102.A OG no hydrogen 2.718 N/A THR 107.A OG1 ASP 105.A OD1 no hydrogen 2.645 N/A TYR 108.A N SER 102.A O no hydrogen 3.032 N/A THR 109.A OG1 ILE 115.A O no hydrogen 2.664 N/A GLU 110.A N GLY 106.A O no hydrogen 3.260 N/A TYR 111.A N THR 107.A O no hydrogen 2.919 N/A TYR 112.A N TYR 108.A O no hydrogen 2.661 N/A TYR 112.A OH GLU 142.A O no hydrogen 2.689 N/A ILE 115.A N TYR 112.A O no hydrogen 2.809 N/A THR 116.A OG1 ASP 118.A OD1 no hydrogen 2.671 N/A THR 116.A OG1 ASP 118.A OD2 no hydrogen 3.393 N/A GLU 119.A N ASP 349.A O no hydrogen 2.871 N/A GLY 121.A N ASP 118.A OD1 no hydrogen 2.863 N/A LEU 122.A N ASP 118.A O no hydrogen 3.035 N/A GLN 123.A N GLU 119.A O no hydrogen 2.912 N/A GLN 123.A NE2 ARG 39.A O no hydrogen 2.981 N/A LYS 124.A N ALA 120.A O no hydrogen 3.181 N/A LYS 124.A NZ ASN 114.A O no hydrogen 3.397 N/A LYS 124.A NZ ASN 114.A OD1 no hydrogen 3.298 N/A PHE 125.A N GLY 121.A O no hydrogen 2.682 N/A PHE 126.A N LEU 122.A O no hydrogen 2.926 N/A ARG 127.A N GLN 123.A O no hydrogen 3.073 N/A ARG 127.A NE ARG 39.A O no hydrogen 2.968 N/A ARG 127.A NH2 ARG 39.A O no hydrogen 3.047 N/A GLN 128.A N LYS 124.A O no hydrogen 3.031 N/A GLN 128.A NE2 TYR 108.A OH no hydrogen 2.918 N/A PHE 129.A N PHE 126.A O no hydrogen 3.433 N/A SER 130.A N ILE 135.A O no hydrogen 2.889 N/A GLY 134.A N TYR 131.A O no hydrogen 2.699 N/A ILE 135.A N GLN 128.A O no hydrogen 2.881 N/A SER 137.A OG HIS 138.A ND1 no hydrogen 2.890 N/A HIS 138.A ND1 SER 137.A OG no hydrogen 2.890 N/A PHE 139.A N GLY 92.A O no hydrogen 2.957 N/A ALA 140.A N HIS 138.A O no hydrogen 2.669 N/A THR 143.A N ALA 140.A O no hydrogen 2.864 N/A THR 143.A OG1 ALA 140.A O no hydrogen 2.823 N/A SER 146.A N THR 143.A O no hydrogen 3.324 N/A SER 146.A OG PHE 139.A O no hydrogen 2.776 N/A SER 146.A OG HIS 148.A O no hydrogen 3.283 N/A HIS 148.A N SER 146.A OG no hydrogen 3.172 N/A HIS 148.A ND1 HIS 159.A ND1 no hydrogen 2.640 N/A GLY 154.A N GLU 180.A OE2 no hydrogen 2.820 N/A TYR 155.A OH GLU 152.A OE1 no hydrogen 2.487 N/A SER 158.A OG TYR 155.A O no hydrogen 3.320 N/A HIS 159.A N TYR 155.A O no hydrogen 3.023 N/A HIS 159.A ND1 HIS 148.A ND1 no hydrogen 2.640 N/A HIS 159.A NE2 GLU 483.A OE1 no hydrogen 2.837 N/A ALA 160.A N ALA 156.A O no hydrogen 3.017 N/A TYR 161.A N LEU 157.A O no hydrogen 2.843 N/A TYR 161.A OH TYR 238.A OH no hydrogen 2.676 N/A GLY 162.A N SER 158.A O no hydrogen 2.845 N/A ALA 163.A N HIS 159.A O no hydrogen 2.877 N/A VAL 164.A N ALA 160.A O no hydrogen 3.330 N/A VAL 164.A N TYR 161.A O no hydrogen 3.227 N/A MET 165.A N TYR 161.A O no hydrogen 3.257 N/A MET 165.A N GLY 162.A O no hydrogen 3.232 N/A ASN 166.A N ASP 201.A OD1 no hydrogen 2.666 N/A ASN 166.A ND2 GLN 468.A OE1 no hydrogen 3.093 N/A ASN 167.A N VAL 164.A O no hydrogen 2.810 N/A ASN 167.A ND2 ALA 163.A O no hydrogen 3.059 N/A ASN 167.A ND2 ASN 372.A OD1 no hydrogen 3.074 N/A LEU 170.A N ASN 167.A O no hydrogen 3.027 N/A PHE 171.A N ASN 84.A O no hydrogen 2.858 N/A VAL 172.A N ILE 203.A O no hydrogen 2.941 N/A CYS 174.A N LEU 205.A O no hydrogen 2.759 N/A CYS 174.A SG ALA 156.A O no hydrogen 3.401 N/A ILE 175.A N ILE 88.A O no hydrogen 2.848 N/A ILE 176.A N ILE 207.A O no hydrogen 2.792 N/A GLY 177.A N GLU 180.A OE1 no hydrogen 3.109 N/A ALA 181.A N GLY 177.A O no hydrogen 2.972 N/A GLU 182.A N GLY 179.A O no hydrogen 2.819 N/A THR 183.A N GLU 180.A O no hydrogen 2.946 N/A THR 183.A OG1 GLU 180.A O no hydrogen 2.775 N/A LEU 186.A N THR 183.A OG1 no hydrogen 3.291 N/A ALA 187.A N THR 183.A O no hydrogen 3.141 N/A THR 188.A N GLY 184.A O no hydrogen 3.114 N/A GLY 189.A N PRO 185.A O no hydrogen 2.982 N/A GLN 191.A N THR 188.A O no hydrogen 2.978 N/A SER 192.A N GLY 189.A O no hydrogen 3.165 N/A SER 192.A OG GLY 189.A O no hydrogen 2.700 N/A ASN 193.A ND2 MET 236.A O no hydrogen 2.753 N/A LYS 194.A N GLN 191.A O no hydrogen 3.112 N/A LYS 194.A NZ GLN 191.A OE1 no hydrogen 2.546 N/A LYS 194.A NZ ASN 193.A OD1 no hydrogen 2.780 N/A LEU 195.A N SER 192.A O no hydrogen 2.804 N/A ASN 197.A N ASP 201.A OD2 no hydrogen 2.779 N/A ASN 197.A ND2 ASP 281.A O no hydrogen 2.818 N/A ASN 197.A ND2 ASP 451.A OD1 no hydrogen 2.937 N/A ASN 197.A ND2 VAL 465.A O no hydrogen 3.389 N/A ARG 199.A N ASN 197.A OD1 no hydrogen 2.812 N/A ARG 199.A NE ASP 281.A OD2 no hydrogen 2.848 N/A ARG 199.A NH2 ASP 281.A OD2 no hydrogen 3.429 N/A THR 200.A N ASN 197.A OD1 no hydrogen 3.077 N/A ASP 201.A N ASN 197.A O no hydrogen 2.938 N/A GLY 202.A N VAL 164.A O no hydrogen 2.848 N/A ILE 203.A N LEU 170.A O no hydrogen 3.135 N/A LEU 205.A N VAL 172.A O no hydrogen 2.961 N/A ILE 207.A N CYS 174.A O no hydrogen 2.761 N/A LEU 208.A N LEU 290.A O no hydrogen 2.807 N/A HIS 209.A N ILE 176.A O no hydrogen 2.763 N/A HIS 209.A NE2 THR 63.A O no hydrogen 3.096 N/A LEU 210.A N LEU 208.A O no hydrogen 2.776 N/A LEU 210.A N PHE 292.A O no hydrogen 2.800 N/A ASN 211.A N HIS 209.A O no hydrogen 2.788 N/A GLY 212.A N ASP 178.A OD2 no hydrogen 2.945 N/A LYS 214.A N ASN 217.A O no hydrogen 2.901 N/A LYS 214.A NZ GLU 182.A OE1 no hydrogen 2.874 N/A LYS 214.A NZ GLU 182.A OE2 no hydrogen 2.943 N/A LYS 214.A NZ PRO 218.A O no hydrogen 2.888 N/A THR 219.A N GLY 212.A O no hydrogen 3.069 N/A THR 219.A OG1 ASP 178.A OD2 no hydrogen 2.724 N/A ILE 220.A N GLU 182.A OE2 no hydrogen 2.917 N/A ALA 222.A N THR 219.A O no hydrogen 3.283 N/A ARG 223.A N THR 219.A O no hydrogen 3.291 N/A ARG 223.A N ILE 220.A O no hydrogen 3.257 N/A ARG 223.A NH2 TYR 213.A OH no hydrogen 3.083 N/A ILE 224.A N ILE 220.A O no hydrogen 3.200 N/A SER 225.A N GLU 228.A OE1 no hydrogen 3.035 N/A SER 225.A OG GLU 228.A OE1 no hydrogen 2.774 N/A GLU 228.A N SER 225.A OG no hydrogen 3.188 N/A LEU 229.A N SER 225.A O no hydrogen 2.999 N/A HIS 230.A N ASP 226.A O no hydrogen 2.954 N/A HIS 230.A NE2 GLU 242.A OE1 no hydrogen 2.796 N/A ASP 231.A N GLU 227.A O no hydrogen 2.936 N/A PHE 232.A N GLU 228.A O no hydrogen 2.803 N/A PHE 233.A N LEU 229.A O no hydrogen 3.384 N/A ARG 234.A N HIS 230.A O no hydrogen 3.009 N/A ARG 234.A NH1 ASP 231.A OD1 no hydrogen 2.815 N/A GLY 235.A N ASP 231.A O no hydrogen 2.785 N/A MET 236.A N PHE 232.A O no hydrogen 3.079 N/A MET 236.A N PHE 233.A O no hydrogen 3.089 N/A GLY 237.A N ARG 234.A O no hydrogen 3.094 N/A TYR 238.A N PHE 233.A O no hydrogen 3.071 N/A TYR 238.A OH TYR 161.A OH no hydrogen 2.676 N/A TYR 238.A OH TRP 190.A O no hydrogen 2.621 N/A HIS 239.A N TYR 287.A O no hydrogen 2.811 N/A HIS 239.A ND1 GLU 269.A OE1 no hydrogen 3.203 N/A HIS 239.A ND1 GLU 269.A OE2 no hydrogen 2.932 N/A TYR 241.A N MET 289.A O no hydrogen 3.022 N/A TYR 241.A OH GLU 269.A OE2 no hydrogen 2.198 N/A PHE 243.A N ILE 291.A O no hydrogen 2.829 N/A ALA 245.A N ARG 293.A O no hydrogen 3.186 N/A GLU 250.A N ASP 248.A OD1 no hydrogen 2.922 N/A SER 254.A N ASP 251.A OD2 no hydrogen 2.954 N/A SER 254.A OG ASP 251.A OD1 no hydrogen 2.698 N/A SER 254.A OG ASP 251.A OD2 no hydrogen 3.285 N/A ILE 255.A N ASP 251.A O no hydrogen 3.110 N/A HIS 256.A N HIS 252.A O no hydrogen 2.937 N/A HIS 256.A ND1 HIS 73.A NE2 no hydrogen 2.991 N/A HIS 256.A NE2 ASP 22.A OD1 no hydrogen 2.861 N/A ARG 257.A N MET 253.A O no hydrogen 2.966 N/A ARG 257.A NE GLU 15.A OE1 no hydrogen 2.757 N/A ARG 257.A NH2 GLU 15.A OE1 no hydrogen 3.503 N/A ARG 257.A NH2 GLU 15.A OE2 no hydrogen 2.854 N/A ARG 258.A N SER 254.A O no hydrogen 2.929 N/A ARG 258.A NE GLU 250.A OE2 no hydrogen 2.745 N/A ARG 258.A NH1 VAL 244.A O no hydrogen 2.877 N/A ARG 258.A NH1 GLU 250.A OE1 no hydrogen 2.929 N/A PHE 259.A N ILE 255.A O no hydrogen 2.832 N/A ALA 260.A N HIS 256.A O no hydrogen 2.890 N/A GLU 261.A N ARG 257.A O no hydrogen 3.113 N/A LEU 262.A N ARG 258.A O no hydrogen 3.078 N/A PHE 263.A N PHE 259.A O no hydrogen 2.750 N/A GLU 264.A N ALA 260.A O no hydrogen 2.814 N/A THR 265.A N GLU 261.A O no hydrogen 3.032 N/A THR 265.A OG1 GLU 261.A O no hydrogen 3.155 N/A ILE 266.A N LEU 262.A O no hydrogen 2.957 N/A PHE 267.A N PHE 263.A O no hydrogen 2.951 N/A ASP 268.A N GLU 264.A O no hydrogen 2.810 N/A GLU 269.A N THR 265.A O no hydrogen 3.097 N/A ILE 270.A N ILE 266.A O no hydrogen 3.026 N/A CYS 271.A N PHE 267.A O no hydrogen 2.723 N/A CYS 271.A SG PHE 267.A O no hydrogen 3.282 N/A ASP 272.A N ASP 268.A O no hydrogen 2.844 N/A ILE 273.A N GLU 269.A O no hydrogen 2.880 N/A LYS 274.A N ILE 270.A O no hydrogen 2.733 N/A LYS 274.A NZ PRO 168.A O no hydrogen 3.028 N/A LYS 274.A NZ PRO 198.A O no hydrogen 2.837 N/A LYS 274.A NZ ASP 201.A O no hydrogen 2.722 N/A ALA 275.A N CYS 271.A O no hydrogen 2.900 N/A ALA 276.A N ASP 272.A O no hydrogen 2.792 N/A ALA 277.A N ILE 273.A O no hydrogen 3.030 N/A GLN 278.A N ALA 275.A O no hydrogen 3.003 N/A GLN 278.A NE2 LYS 274.A O no hydrogen 3.100 N/A THR 279.A N ALA 276.A O no hydrogen 2.937 N/A ASP 280.A N ALA 276.A O no hydrogen 2.921 N/A MET 282.A N ASP 280.A OD1 no hydrogen 3.026 N/A THR 283.A N ASP 280.A OD1 no hydrogen 2.980 N/A THR 283.A OG1 ASP 280.A OD1 no hydrogen 3.383 N/A THR 283.A OG1 ASP 280.A OD2 no hydrogen 2.688 N/A ARG 284.A NH2 ASN 452.A OD1 no hydrogen 3.551 N/A MET 289.A N HIS 239.A O no hydrogen 3.085 N/A LEU 290.A N PRO 206.A O no hydrogen 2.829 N/A ILE 291.A N TYR 241.A O no hydrogen 2.742 N/A PHE 292.A N LEU 208.A O no hydrogen 2.894 N/A ARG 293.A N PHE 243.A O no hydrogen 2.729 N/A ARG 293.A NE GLU 242.A OE2 no hydrogen 2.726 N/A ARG 293.A NH1 ALA 222.A O no hydrogen 3.226 N/A ARG 293.A NH2 ASP 226.A OD1 no hydrogen 3.082 N/A ARG 293.A NH2 GLU 242.A OE2 no hydrogen 3.296 N/A LYS 296.A NZ LYS 214.A O no hydrogen 2.832 N/A LYS 296.A NZ HIS 316.A ND1 no hydrogen 2.747 N/A GLY 297.A N GLY 62.A O no hydrogen 2.913 N/A TRP 298.A N PRO 295.A O no hydrogen 2.968 N/A THR 299.A N GLU 310.A OE2 no hydrogen 2.828 N/A THR 299.A OG1 TRP 298.A O no hydrogen 2.525 N/A THR 299.A OG1 TYR 340.A OH no hydrogen 2.668 N/A CYS 300.A N GLY 297.A O no hydrogen 2.942 N/A CYS 300.A SG GLY 297.A O no hydrogen 3.182 N/A CYS 300.A SG PRO 301.A O no hydrogen 3.641 N/A LYS 302.A NZ GLU 310.A OE1 no hydrogen 3.220 N/A ILE 304.A N LYS 307.A O no hydrogen 2.928 N/A LYS 307.A N ILE 304.A O no hydrogen 3.050 N/A LYS 308.A NZ GLU 310.A O no hydrogen 3.335 N/A THR 309.A N LYS 302.A O no hydrogen 2.781 N/A THR 309.A OG1 LYS 307.A O no hydrogen 3.006 N/A GLU 310.A N PRO 301.A O no hydrogen 3.388 N/A GLY 311.A N LYS 296.A O no hydrogen 2.777 N/A ARG 314.A N SER 312.A OG no hydrogen 3.033 N/A ALA 315.A N SER 312.A O no hydrogen 3.111 N/A HIS 316.A N TRP 313.A O no hydrogen 2.882 N/A SER 322.A N HIS 329.A ND1 no hydrogen 3.294 N/A ALA 323.A N LEU 320.A O no hydrogen 2.885 N/A ARG 324.A NE VAL 53.A O no hydrogen 3.049 N/A ARG 324.A NH1 ASP 51.A OD2 no hydrogen 3.501 N/A ARG 324.A NH2 VAL 53.A O no hydrogen 2.844 N/A ASP 325.A N SER 322.A O no hydrogen 2.875 N/A THR 326.A N SER 322.A O no hydrogen 3.022 N/A GLU 328.A N GLU 328.A OE1 no hydrogen 2.996 N/A HIS 329.A N THR 326.A OG1 no hydrogen 3.016 N/A HIS 329.A NE2 ASP 305.A OD1 no hydrogen 2.717 N/A PHE 330.A N THR 326.A O no hydrogen 3.004 N/A GLU 331.A N GLU 327.A O no hydrogen 2.844 N/A VAL 332.A N GLU 328.A O no hydrogen 3.406 N/A LEU 333.A N HIS 329.A O no hydrogen 2.989 N/A LYS 334.A N PHE 330.A O no hydrogen 2.836 N/A GLY 335.A N GLU 331.A O no hydrogen 3.056 N/A TRP 336.A N VAL 332.A O no hydrogen 2.970 N/A TRP 336.A NE1 TYR 340.A OH no hydrogen 2.917 N/A MET 337.A N LEU 333.A O no hydrogen 2.830 N/A GLU 338.A N LYS 334.A O no hydrogen 2.905 N/A SER 339.A N GLY 335.A O no hydrogen 2.903 N/A SER 339.A N TRP 336.A O no hydrogen 3.060 N/A SER 339.A OG TRP 336.A O no hydrogen 2.614 N/A TYR 340.A N MET 337.A O no hydrogen 3.427 N/A TYR 340.A OH THR 299.A OG1 no hydrogen 2.668 N/A LYS 341.A N GLU 338.A O no hydrogen 2.780 N/A GLU 343.A N GLU 343.A OE1 no hydrogen 2.896 N/A GLU 344.A N LYS 341.A O no hydrogen 2.812 N/A LEU 345.A N PRO 342.A O no hydrogen 2.782 N/A PHE 346.A N PRO 342.A O no hydrogen 3.079 N/A ASN 347.A N SER 351.A O no hydrogen 2.680 N/A ASN 347.A ND2 SER 351.A OG no hydrogen 3.116 N/A GLY 350.A N ASN 347.A O no hydrogen 2.790 N/A SER 351.A N ASP 349.A OD1 no hydrogen 2.937 N/A SER 351.A OG ASP 349.A OD1 no hydrogen 2.592 N/A LYS 353.A N LEU 345.A O no hydrogen 2.976 N/A LYS 353.A NZ PHE 346.A O no hydrogen 3.525 N/A VAL 356.A N LYS 353.A O no hydrogen 3.078 N/A THR 357.A N ASP 354.A O no hydrogen 3.132 N/A MET 360.A N THR 357.A O no hydrogen 2.981 N/A LEU 365.A N LYS 362.A O no hydrogen 3.323 N/A ARG 366.A N GLY 363.A O no hydrogen 3.159 N/A ARG 366.A NE GLY 363.A O no hydrogen 2.906 N/A ARG 366.A NH1 ASP 105.A O no hydrogen 2.984 N/A ARG 366.A NH1 GLU 110.A OE1 no hydrogen 3.288 N/A ARG 366.A NH1 GLU 110.A OE2 no hydrogen 2.982 N/A ARG 366.A NH2 GLU 110.A OE1 no hydrogen 2.844 N/A GLY 368.A N ASP 105.A OD2 no hydrogen 2.880 N/A ALA 369.A N ARG 366.A O no hydrogen 3.053 N/A ASN 370.A ND2 ASN 84.A OD1 no hydrogen 2.834 N/A ASN 372.A N ASN 370.A OD1 no hydrogen 2.934 N/A ASN 372.A ND2 ASN 370.A OD1 no hydrogen 3.044 N/A ALA 373.A N ASN 370.A O no hydrogen 3.053 N/A ASN 374.A N PRO 371.A O no hydrogen 2.975 N/A ASN 374.A ND2 TRP 524.A O no hydrogen 2.917 N/A GLY 375.A N LEU 487.A O no hydrogen 3.116 N/A VAL 377.A N ASN 374.A O no hydrogen 2.929 N/A ILE 378.A N GLY 375.A O no hydrogen 2.863 N/A ARG 379.A N GLY 375.A O no hydrogen 2.779 N/A ARG 379.A NE SER 529.A OG no hydrogen 2.916 N/A ARG 379.A NH1 ASP 381.A OD1 no hydrogen 3.074 N/A ARG 379.A NH2 ASP 381.A OD1 no hydrogen 3.267 N/A LYS 383.A N ASN 422.A OD1 no hydrogen 2.820 N/A GLN 389.A NE2 GLU 386.A O no hydrogen 3.042 N/A TYR 390.A N LEU 387.A O no hydrogen 2.992 N/A TYR 390.A OH ASP 417.A OD2 no hydrogen 2.385 N/A GLU 391.A N ASP 388.A O no hydrogen 3.104 N/A VAL 392.A N ASN 578.A OD1 no hydrogen 2.692 N/A THR 393.A OG1 GLU 397.A OE1 no hydrogen 3.082 N/A GLU 397.A N THR 393.A O no hydrogen 2.994 N/A TYR 398.A N GLY 394.A O no hydrogen 2.874 N/A GLY 399.A N VAL 395.A O no hydrogen 3.007 N/A HIS 400.A N ASP 801.A OD2 no hydrogen 3.075 N/A HIS 400.A ND1 TRP 607.A O no hydrogen 2.777 N/A GLY 401.A N THR 606.A O no hydrogen 2.802 N/A TRP 402.A N GLY 399.A O no hydrogen 3.244 N/A GLN 404.A NE2 GLY 403.A O no hydrogen 3.261 N/A ARG 409.A N GLU 406.A O no hydrogen 2.948 N/A ARG 409.A NE GLU 406.A OE1 no hydrogen 2.817 N/A ARG 409.A NH2 GLU 406.A OE1 no hydrogen 3.355 N/A ALA 410.A N ALA 407.A O no hydrogen 3.162 N/A GLY 412.A N PRO 408.A O no hydrogen 2.798 N/A ALA 413.A N ARG 409.A O no hydrogen 3.150 N/A TYR 414.A N ALA 410.A O no hydrogen 3.091 N/A CYS 415.A N LEU 411.A O no hydrogen 2.811 N/A CYS 415.A SG LEU 411.A O no hydrogen 3.393 N/A ARG 416.A N GLY 412.A O no hydrogen 2.861 N/A ARG 416.A NE ASP 417.A OD1 no hydrogen 3.030 N/A ARG 416.A NH1 GLU 444.A OE2 no hydrogen 2.985 N/A ARG 416.A NH2 ASP 417.A OD1 no hydrogen 3.535 N/A ARG 416.A NH2 ASP 417.A OD2 no hydrogen 3.137 N/A ASP 417.A N ALA 413.A O no hydrogen 3.203 N/A ILE 418.A N TYR 414.A O no hydrogen 2.918 N/A ILE 419.A N CYS 415.A O no hydrogen 2.947 N/A LYS 420.A N ARG 416.A O no hydrogen 3.016 N/A ASN 421.A N ASP 417.A O no hydrogen 2.921 N/A ASN 421.A ND2 LYS 383.A O no hydrogen 3.147 N/A ASN 422.A N ILE 418.A O no hydrogen 2.755 N/A ASN 422.A N ILE 419.A O no hydrogen 2.950 N/A ASN 422.A ND2 LYS 383.A O no hydrogen 2.905 N/A ASN 422.A ND2 ILE 418.A O no hydrogen 3.006 N/A SER 425.A N ASN 422.A O no hydrogen 3.424 N/A ARG 427.A N HIS 491.A O no hydrogen 2.946 N/A ARG 427.A NH1 GLY 467.A O no hydrogen 2.935 N/A ARG 427.A NH2 GLY 467.A O no hydrogen 2.912 N/A ARG 427.A NH2 THR 470.A OG1 no hydrogen 2.837 N/A ILE 428.A N GLN 468.A O no hydrogen 2.896 N/A PHE 429.A N ILE 493.A O no hydrogen 3.085 N/A GLY 430.A N THR 470.A O no hydrogen 3.109 N/A GLU 433.A N GLU 471.A OE1 no hydrogen 3.034 N/A THR 434.A N GLU 471.A OE1 no hydrogen 2.919 N/A THR 434.A OG1 GLU 471.A OE1 no hydrogen 2.787 N/A SER 436.A OG TYR 497.A OH no hydrogen 2.658 N/A ASN 437.A N GLU 433.A O no hydrogen 2.748 N/A ARG 438.A N ALA 435.A O no hydrogen 2.906 N/A LEU 439.A N THR 434.A O no hydrogen 2.886 N/A THR 442.A N LEU 439.A O no hydrogen 3.204 N/A THR 442.A OG1 LEU 439.A O no hydrogen 2.867 N/A TYR 443.A N ASN 440.A O no hydrogen 3.084 N/A GLU 444.A N ALA 441.A O no hydrogen 3.044 N/A VAL 445.A N THR 442.A O no hydrogen 3.129 N/A ASP 447.A N THR 446.A OG1 no hydrogen 2.835 N/A LYS 448.A N HIS 462.A O no hydrogen 2.755 N/A GLN 449.A N VAL 469.A O no hydrogen 2.813 N/A GLN 449.A NE2 LEU 195.A O no hydrogen 2.933 N/A GLN 449.A NE2 ASP 201.A OD2 no hydrogen 2.850 N/A TRP 450.A N ALA 464.A O no hydrogen 2.860 N/A TRP 450.A NE1 GLY 453.A O no hydrogen 2.901 N/A ASP 451.A N LYS 194.A O no hydrogen 2.805 N/A TYR 454.A OH TRP 450.A O no hydrogen 2.680 N/A LEU 455.A N ASP 460.A OD2 no hydrogen 2.751 N/A SER 456.A N ASP 460.A OD2 no hydrogen 2.968 N/A LEU 458.A N SER 456.A OG no hydrogen 3.107 N/A VAL 459.A N SER 456.A O no hydrogen 3.048 N/A ASP 460.A N SER 456.A O no hydrogen 2.855 N/A ALA 464.A N LYS 448.A O no hydrogen 2.949 N/A GLY 467.A N GLN 449.A OE1 no hydrogen 2.918 N/A GLN 468.A N THR 446.A OG1 no hydrogen 2.950 N/A GLN 468.A NE2 ASN 166.A OD1 no hydrogen 2.949 N/A VAL 469.A N ASP 447.A O no hydrogen 3.390 N/A THR 470.A N ILE 428.A O no hydrogen 2.861 N/A GLN 472.A N GLY 430.A O no hydrogen 3.356 N/A SER 474.A N GLN 472.A O no hydrogen 2.646 N/A GLU 475.A N GLU 475.A OE1 no hydrogen 2.706 N/A GLN 477.A N SER 474.A OG no hydrogen 3.133 N/A GLN 477.A NE2 SER 192.A OG no hydrogen 2.931 N/A GLN 477.A NE2 GLN 472.A OE1 no hydrogen 2.828 N/A CYS 478.A N SER 474.A O no hydrogen 3.075 N/A CYS 478.A SG SER 474.A O no hydrogen 3.557 N/A GLU 479.A N GLU 475.A O no hydrogen 2.904 N/A GLY 480.A N HIS 476.A O no hydrogen 2.945 N/A PHE 481.A N GLN 477.A O no hydrogen 2.882 N/A LEU 482.A N CYS 478.A O no hydrogen 3.093 N/A GLU 483.A N GLU 479.A O no hydrogen 2.909 N/A ALA 484.A N GLY 480.A O no hydrogen 3.246 N/A TYR 485.A N PHE 481.A O no hydrogen 2.996 N/A TYR 485.A OH ASP 424.A O no hydrogen 3.235 N/A LEU 486.A N LEU 482.A O no hydrogen 2.936 N/A LEU 487.A N GLU 483.A O no hydrogen 2.758 N/A THR 488.A N ALA 484.A O no hydrogen 3.039 N/A THR 488.A OG1 ALA 484.A O no hydrogen 2.948 N/A THR 488.A OG1 TYR 485.A O no hydrogen 3.256 N/A GLY 489.A N LEU 486.A O no hydrogen 2.852 N/A ARG 490.A N TYR 485.A O no hydrogen 2.918 N/A ARG 490.A NE THR 488.A OG1 no hydrogen 3.084 N/A ARG 490.A NH1 MET 165.A O no hydrogen 2.986 N/A ARG 490.A NH1 THR 488.A OG1 no hydrogen 2.880 N/A ARG 490.A NH2 MET 165.A O no hydrogen 2.926 N/A ARG 490.A NH2 ASN 166.A O no hydrogen 3.446 N/A HIS 491.A N SER 425.A O no hydrogen 2.974 N/A HIS 491.A NE2 GLU 380.A O no hydrogen 2.780 N/A ILE 493.A N ARG 427.A O no hydrogen 3.213 N/A TRP 494.A N ASN 532.A O no hydrogen 2.948 N/A TRP 494.A NE1 GLU 479.A OE1 no hydrogen 3.013 N/A SER 495.A N PHE 429.A O no hydrogen 3.293 N/A SER 495.A OG ASN 437.A OD1 no hydrogen 2.883 N/A SER 496.A N LEU 534.A O no hydrogen 2.969 N/A SER 496.A OG TYR 497.A O no hydrogen 2.692 N/A TYR 497.A N GLU 433.A OE1 no hydrogen 2.741 N/A TYR 497.A OH SER 436.A OG no hydrogen 2.658 N/A GLU 498.A N SER 536.A O no hydrogen 2.797 N/A VAL 501.A N GLU 498.A O no hydrogen 3.200 N/A HIS 502.A N SER 499.A O no hydrogen 3.411 N/A HIS 502.A ND1 ASP 505.A OD2 no hydrogen 2.697 N/A HIS 502.A NE2 ASP 551.A OD1 no hydrogen 2.833 N/A VAL 503.A N PHE 500.A O no hydrogen 3.004 N/A ILE 504.A N VAL 501.A O no hydrogen 2.909 N/A ASP 505.A N HIS 502.A O no hydrogen 3.077 N/A SER 506.A OG GLU 152.A OE1 no hydrogen 2.544 N/A SER 506.A OG TYR 155.A OH no hydrogen 3.263 N/A LEU 508.A N ILE 504.A O no hydrogen 3.009 N/A ASN 509.A N ASP 505.A O no hydrogen 2.991 N/A GLN 510.A N SER 506.A O no hydrogen 3.073 N/A GLN 510.A NE2 GLU 152.A OE2 no hydrogen 3.510 N/A HIS 511.A N MET 507.A O no hydrogen 3.024 N/A ALA 512.A N LEU 508.A O no hydrogen 2.872 N/A LYS 513.A N ASN 509.A O no hydrogen 2.911 N/A TRP 514.A N GLN 510.A O no hydrogen 2.864 N/A LEU 515.A N HIS 511.A O no hydrogen 2.896 N/A GLU 516.A N ALA 512.A O no hydrogen 2.829 N/A ALA 517.A N LYS 513.A O no hydrogen 3.056 N/A THR 518.A N TRP 514.A O no hydrogen 3.120 N/A THR 518.A OG1 TRP 514.A O no hydrogen 2.913 N/A VAL 519.A N LEU 515.A O no hydrogen 2.850 N/A ARG 520.A N GLU 516.A O no hydrogen 3.107 N/A ARG 520.A NE ASP 566.A OD1 no hydrogen 2.953 N/A ARG 520.A NE ASP 566.A OD2 no hydrogen 3.167 N/A ARG 520.A NH2 ASP 566.A OD2 no hydrogen 2.772 N/A GLU 521.A N ALA 517.A O no hydrogen 3.044 N/A ILE 522.A N THR 518.A O no hydrogen 3.242 N/A TRP 524.A NE1 TYR 112.A OH no hydrogen 3.074 N/A ARG 525.A N ILE 522.A O no hydrogen 3.103 N/A ARG 525.A NE PRO 141.A O no hydrogen 2.788 N/A ARG 525.A NH1 ALA 373.A O no hydrogen 3.081 N/A ARG 525.A NH2 PRO 141.A O no hydrogen 2.910 N/A ARG 525.A NH2 SER 146.A O no hydrogen 2.785 N/A LYS 526.A N ASN 374.A OD1 no hydrogen 3.014 N/A ILE 528.A N ASN 592.A OD1 no hydrogen 3.017 N/A SER 529.A OG ARG 490.A O no hydrogen 3.176 N/A SER 529.A OG HIS 491.A ND1 no hydrogen 2.843 N/A SER 530.A OG SER 590.A OG no hydrogen 2.756 N/A SER 530.A OG LYS 593.A O no hydrogen 3.416 N/A VAL 531.A N LYS 593.A O no hydrogen 2.950 N/A ASN 532.A ND2 GLY 492.A O no hydrogen 3.119 N/A LEU 533.A N ASN 595.A O no hydrogen 3.018 N/A LEU 534.A N TRP 494.A O no hydrogen 2.865 N/A VAL 535.A N ILE 597.A O no hydrogen 2.800 N/A SER 536.A N SER 496.A O no hydrogen 3.065 N/A SER 536.A OG ALA 599.A O no hydrogen 2.761 N/A SER 537.A N SER 536.A OG no hydrogen 2.815 N/A HIS 538.A NE2 ASP 645.A OD2 no hydrogen 2.863 N/A VAL 539.A N GLU 498.A OE2 no hydrogen 2.796 N/A TRP 540.A N HIS 538.A ND1 no hydrogen 3.243 N/A TRP 540.A NE1 HIS 706.A ND1 no hydrogen 3.172 N/A ARG 541.A N HIS 538.A O no hydrogen 3.106 N/A ARG 541.A NE ASP 543.A OD1 no hydrogen 2.989 N/A ARG 541.A NH2 ASP 543.A OD2 no hydrogen 2.915 N/A GLN 542.A NE2 SER 537.A O no hydrogen 3.013 N/A ASN 545.A N GLN 542.A O no hydrogen 3.352 N/A ASN 545.A ND2 GLN 542.A OE1 no hydrogen 2.646 N/A ALA 549.A N GLY 546.A O no hydrogen 2.973 N/A GLN 550.A N PHE 547.A O no hydrogen 2.981 N/A GLN 550.A NE2 TYR 730.A OH no hydrogen 2.792 N/A GLN 550.A NE2 GLN 733.A O no hydrogen 3.588 N/A GLY 553.A N ASP 551.A OD1 no hydrogen 2.960 N/A THR 555.A N PRO 552.A O no hydrogen 3.452 N/A THR 555.A OG1 PRO 552.A O no hydrogen 3.461 N/A THR 555.A OG1 SER 707.A OG no hydrogen 2.916 N/A THR 555.A OG1 ASP 711.A OD2 no hydrogen 2.468 N/A SER 556.A N GLY 553.A O no hydrogen 3.016 N/A SER 556.A OG ASP 711.A OD1 no hydrogen 2.677 N/A LEU 557.A N GLY 553.A O no hydrogen 3.435 N/A LEU 558.A N VAL 554.A O no hydrogen 2.903 N/A ILE 559.A N THR 555.A O no hydrogen 3.064 N/A ASN 560.A N LEU 557.A O no hydrogen 2.995 N/A LYS 561.A N LEU 558.A O no hydrogen 2.877 N/A LYS 561.A NZ ASN 560.A O no hydrogen 3.130 N/A THR 562.A OG1 ILE 559.A O no hydrogen 2.711 N/A ASN 564.A ND2 ASP 566.A OD1 no hydrogen 3.163 N/A ASP 566.A N PHE 563.A O no hydrogen 2.782 N/A HIS 567.A NE2 ASP 683.A OD1 no hydrogen 2.743 N/A THR 569.A OG1 LYS 561.A O no hydrogen 2.716 N/A ASN 570.A N ILE 594.A O no hydrogen 2.887 N/A ASN 570.A ND2 ASN 595.A OD1 no hydrogen 2.875 N/A TYR 572.A N ALA 596.A O no hydrogen 2.871 N/A PHE 573.A N VAL 671.A O no hydrogen 2.823 N/A ALA 574.A N PHE 598.A O no hydrogen 2.762 N/A ASN 578.A N ASP 576.A OD1 no hydrogen 2.826 N/A ASN 578.A ND2 VAL 392.A O no hydrogen 3.007 N/A ASN 578.A ND2 VAL 608.A O no hydrogen 2.805 N/A MET 579.A N ASP 576.A OD1 no hydrogen 2.907 N/A LEU 580.A N ASP 576.A O no hydrogen 2.890 N/A LEU 581.A N ALA 577.A O no hydrogen 2.946 N/A ALA 582.A N ASN 578.A O no hydrogen 3.078 N/A ILE 583.A N MET 579.A O no hydrogen 2.869 N/A SER 584.A N LEU 580.A O no hydrogen 2.845 N/A SER 584.A OG LEU 580.A O no hydrogen 2.862 N/A GLU 585.A N LEU 581.A O no hydrogen 3.106 N/A LYS 586.A N ALA 582.A O no hydrogen 3.287 N/A LYS 586.A NZ GLU 618.A OE2 no hydrogen 3.161 N/A CYS 587.A N ILE 583.A O no hydrogen 2.833 N/A CYS 587.A SG ILE 583.A O no hydrogen 3.238 N/A PHE 588.A N SER 584.A O no hydrogen 2.719 N/A LYS 589.A N GLU 585.A O no hydrogen 3.072 N/A SER 590.A N LYS 586.A O no hydrogen 2.879 N/A SER 590.A N CYS 587.A O no hydrogen 2.987 N/A SER 590.A OG SER 530.A OG no hydrogen 2.756 N/A SER 590.A OG CYS 587.A O no hydrogen 2.874 N/A ASN 592.A N ILE 528.A O no hydrogen 2.820 N/A LYS 593.A N SER 530.A OG no hydrogen 3.052 N/A LYS 593.A NZ THR 591.A O no hydrogen 3.124 N/A ILE 594.A N VAL 568.A O no hydrogen 2.764 N/A ASN 595.A N VAL 531.A O no hydrogen 2.821 N/A ASN 595.A ND2 ASN 532.A OD1 no hydrogen 3.030 N/A ASN 595.A ND2 SER 590.A OG no hydrogen 3.019 N/A ALA 596.A N ASN 570.A O no hydrogen 2.896 N/A ILE 597.A N LEU 533.A O no hydrogen 2.783 N/A PHE 598.A N TYR 572.A O no hydrogen 2.788 N/A ALA 599.A N VAL 535.A O no hydrogen 3.197 N/A LYS 601.A NZ SER 436.A O no hydrogen 2.955 N/A LYS 601.A NZ SER 537.A OG no hydrogen 3.174 N/A GLN 602.A N GLN 602.A OE1 no hydrogen 2.787 N/A GLN 602.A NE2 ASP 645.A OD2 no hydrogen 2.773 N/A ALA 604.A N VAL 405.A O no hydrogen 3.029 N/A THR 606.A N TRP 402.A O no hydrogen 3.060 N/A TRP 607.A N ASP 576.A OD2 no hydrogen 2.680 N/A VAL 608.A N ASP 576.A OD2 no hydrogen 2.918 N/A THR 609.A N GLU 612.A OE1 no hydrogen 3.116 N/A LEU 610.A N GLU 391.A OE1 no hydrogen 2.744 N/A GLU 612.A N THR 609.A OG1 no hydrogen 2.919 N/A ALA 613.A N THR 609.A O no hydrogen 2.925 N/A ARG 614.A N LEU 610.A O no hydrogen 2.794 N/A ARG 614.A NH2 ASP 388.A OD1 no hydrogen 2.661 N/A ARG 614.A NH2 ASP 611.A OD1 no hydrogen 2.932 N/A ALA 615.A N ASP 611.A O no hydrogen 3.175 N/A GLU 616.A N GLU 612.A O no hydrogen 2.746 N/A LEU 617.A N ALA 613.A O no hydrogen 2.740 N/A GLU 618.A N ARG 614.A O no hydrogen 3.402 N/A ALA 619.A N ALA 615.A O no hydrogen 3.209 N/A GLY 620.A N GLU 616.A O no hydrogen 2.841 N/A ALA 622.A N ASN 669.A O no hydrogen 2.865 N/A TRP 624.A N VAL 667.A O no hydrogen 2.755 N/A TRP 624.A NE1 GLU 616.A OE2 no hydrogen 2.824 N/A LYS 625.A NZ GLU 623.A OE2 no hydrogen 3.374 N/A ALA 627.A N TRP 624.A O no hydrogen 2.780 N/A SER 628.A N TRP 624.A O no hydrogen 2.974 N/A SER 628.A OG GLU 623.A OE1 no hydrogen 2.799 N/A SER 628.A OG TRP 624.A O no hydrogen 3.259 N/A ASN 629.A N PHE 665.A O no hydrogen 3.163 N/A ASN 629.A ND2 ASN 659.A OD1 no hydrogen 2.923 N/A ASN 629.A ND2 ILE 663.A O no hydrogen 2.846 N/A ALA 630.A N PHE 665.A O no hydrogen 3.244 N/A GLU 631.A N GLU 635.A OE2 no hydrogen 2.701 N/A ASN 633.A ND2 GLU 693.A O no hydrogen 2.930 N/A ASP 634.A N ASN 632.A OD1 no hydrogen 2.770 N/A GLU 635.A N ASN 632.A OD1 no hydrogen 2.862 N/A VAL 636.A N ASN 633.A O no hydrogen 3.421 N/A GLN 637.A N LYS 664.A O no hydrogen 2.648 N/A VAL 639.A N PRO 700.A O no hydrogen 2.888 N/A LEU 640.A N LYS 666.A O no hydrogen 2.747 N/A ALA 641.A N LEU 702.A O no hydrogen 2.806 N/A SER 642.A N VAL 668.A O no hydrogen 3.140 N/A SER 642.A OG THR 648.A OG1 no hydrogen 2.713 N/A ALA 643.A N ALA 704.A O no hydrogen 3.005 N/A THR 648.A N GLY 644.A O no hydrogen 3.077 N/A THR 648.A OG1 SER 642.A OG no hydrogen 2.713 N/A THR 648.A OG1 GLY 644.A O no hydrogen 2.705 N/A THR 648.A OG1 ASN 669.A OD1 no hydrogen 3.304 N/A GLN 649.A N ASP 645.A O no hydrogen 2.998 N/A GLU 650.A N VAL 646.A O no hydrogen 3.045 N/A LEU 651.A N PRO 647.A O no hydrogen 2.823 N/A MET 652.A N THR 648.A O no hydrogen 2.830 N/A ALA 653.A N GLN 649.A O no hydrogen 3.077 N/A ALA 654.A N GLU 650.A O no hydrogen 2.925 N/A SER 655.A N LEU 651.A O no hydrogen 2.746 N/A SER 655.A OG MET 652.A O no hydrogen 2.773 N/A ASP 656.A N MET 652.A O no hydrogen 3.094 N/A ALA 657.A N ALA 653.A O no hydrogen 3.197 N/A LEU 658.A N ALA 654.A O no hydrogen 2.793 N/A ASN 659.A N SER 655.A O no hydrogen 2.766 N/A LYS 660.A N ASP 656.A O no hydrogen 3.049 N/A LYS 660.A NZ ASP 656.A OD1 no hydrogen 3.118 N/A MET 661.A N ALA 657.A O no hydrogen 3.129 N/A MET 661.A N LEU 658.A O no hydrogen 3.121 N/A GLY 662.A N ASN 659.A O no hydrogen 2.803 N/A ILE 663.A N LEU 658.A O no hydrogen 3.078 N/A LYS 664.A N GLN 637.A OE1 no hydrogen 3.017 N/A PHE 665.A N ASN 629.A OD1 no hydrogen 2.932 N/A LYS 666.A N VAL 638.A O no hydrogen 3.343 N/A LYS 666.A NZ ASN 633.A OD1 no hydrogen 2.831 N/A LYS 666.A NZ LEU 694.A O no hydrogen 2.703 N/A VAL 667.A N SER 628.A OG no hydrogen 2.989 N/A VAL 668.A N LEU 640.A O no hydrogen 2.753 N/A ASN 669.A N ALA 622.A O no hydrogen 2.776 N/A ASN 669.A ND2 THR 575.A OG1 no hydrogen 2.768 N/A VAL 670.A N SER 642.A O no hydrogen 2.853 N/A VAL 671.A N GLY 620.A O no hydrogen 3.032 N/A ASP 672.A N GLY 620.A O no hydrogen 2.924 N/A LEU 673.A N ILE 571.A O no hydrogen 3.116 N/A LYS 675.A N ASP 672.A O no hydrogen 2.951 N/A LYS 675.A NZ GLU 618.A O no hydrogen 3.223 N/A LEU 676.A N LEU 673.A O no hydrogen 2.969 N/A GLN 677.A N LEU 674.A O no hydrogen 2.986 N/A GLN 677.A NE2 LEU 674.A O no hydrogen 3.565 N/A SER 678.A OG ASP 718.A OD1 no hydrogen 3.260 N/A SER 678.A OG ASP 718.A OD2 no hydrogen 2.531 N/A ARG 679.A NH1 ALA 685.A O no hydrogen 2.836 N/A ASN 681.A N SER 678.A O no hydrogen 2.837 N/A ASN 681.A ND2 TYR 717.A OH no hydrogen 3.237 N/A ASN 682.A N SER 678.A O no hydrogen 2.723 N/A ASN 682.A ND2 LEU 674.A O no hydrogen 3.049 N/A ASP 683.A N ASN 565.A OD1 no hydrogen 2.796 N/A GLU 684.A N ASN 682.A OD1 no hydrogen 2.880 N/A ALA 685.A N ASN 682.A O no hydrogen 2.746 N/A LEU 686.A N LYS 675.A O no hydrogen 3.061 N/A THR 687.A N GLU 690.A OE2 no hydrogen 2.833 N/A GLU 690.A N THR 687.A OG1 no hydrogen 3.167 N/A PHE 691.A N THR 687.A O no hydrogen 3.040 N/A THR 692.A N ASP 688.A O no hydrogen 2.899 N/A THR 692.A OG1 ASP 688.A O no hydrogen 3.152 N/A GLU 693.A N GLU 689.A O no hydrogen 2.995 N/A LEU 694.A N GLU 690.A O no hydrogen 3.059 N/A PHE 695.A N PHE 691.A O no hydrogen 2.715 N/A THR 696.A N THR 692.A O no hydrogen 2.675 N/A THR 696.A OG1 PHE 695.A O no hydrogen 2.678 N/A LYS 699.A N THR 696.A OG1 no hydrogen 2.870 N/A VAL 701.A N ASN 724.A O no hydrogen 2.912 N/A LEU 702.A N VAL 639.A O no hydrogen 2.654 N/A PHE 703.A N HIS 726.A O no hydrogen 2.985 N/A ALA 704.A N ALA 641.A O no hydrogen 2.743 N/A TYR 705.A N VAL 728.A O no hydrogen 2.638 N/A TYR 705.A OH ASP 711.A OD2 no hydrogen 2.629 N/A HIS 706.A NE2 GLU 498.A OE1 no hydrogen 2.712 N/A SER 707.A OG PRO 552.A O no hydrogen 3.110 N/A SER 707.A OG THR 555.A OG1 no hydrogen 2.916 N/A TYR 708.A N SER 707.A OG no hydrogen 2.655 N/A TYR 708.A OH GLU 732.A OE2 no hydrogen 2.635 N/A ASP 711.A N TYR 708.A O no hydrogen 2.880 N/A ARG 713.A N ALA 709.A O no hydrogen 3.130 N/A ARG 713.A NH2 VAL 727.A O no hydrogen 3.217 N/A GLY 714.A N GLN 710.A O no hydrogen 2.856 N/A LEU 715.A N ASP 711.A O no hydrogen 3.039 N/A ILE 716.A N VAL 712.A O no hydrogen 3.072 N/A ARG 719.A N ILE 716.A O no hydrogen 3.099 N/A ARG 719.A NE LEU 676.A O no hydrogen 2.943 N/A ARG 719.A NH1 LEU 686.A O no hydrogen 2.881 N/A ARG 719.A NH1 ASP 688.A OD1 no hydrogen 2.752 N/A ARG 719.A NH2 LYS 675.A O no hydrogen 3.276 N/A ARG 719.A NH2 LEU 676.A O no hydrogen 3.504 N/A ARG 719.A NH2 LEU 686.A O no hydrogen 2.717 N/A ASN 721.A ND2 PHE 695.A O no hydrogen 3.446 N/A ASN 721.A ND2 THR 696.A O no hydrogen 3.374 N/A ASN 721.A ND2 LYS 699.A O no hydrogen 2.914 N/A HIS 722.A N ARG 719.A O no hydrogen 3.275 N/A HIS 722.A ND1 ARG 719.A O no hydrogen 2.634 N/A ASN 724.A N ASN 721.A O no hydrogen 3.049 N/A ASN 724.A ND2 ASN 721.A OD1 no hydrogen 2.928 N/A PHE 725.A N HIS 722.A O no hydrogen 3.150 N/A HIS 726.A N VAL 701.A O no hydrogen 2.785 N/A VAL 728.A N PHE 703.A O no hydrogen 2.781 N/A TYR 730.A N SER 707.A O no hydrogen 2.783 N/A LYS 731.A N ASN 746.A OD1 no hydrogen 2.839 N/A LYS 731.A NZ ASP 747.A OD2 no hydrogen 2.694 N/A THR 736.A N SER 735.A OG no hydrogen 2.427 N/A THR 736.A OG1 ASN 545.A O no hydrogen 2.962 N/A THR 737.A OG1 ASP 741.A OD2 no hydrogen 2.757 N/A THR 738.A N THR 737.A OG1 no hydrogen 2.755 N/A THR 738.A OG1 ASP 790.A OD1 no hydrogen 2.727 N/A THR 738.A OG1 ASP 790.A OD2 no hydrogen 3.485 N/A PHE 740.A N ASP 790.A OD2 no hydrogen 2.968 N/A ASP 741.A N THR 738.A OG1 no hydrogen 3.274 N/A MET 742.A N THR 738.A O no hydrogen 3.132 N/A VAL 743.A N PRO 739.A O no hydrogen 3.304 N/A ARG 744.A N PHE 740.A O no hydrogen 2.809 N/A ARG 744.A NE ASP 741.A OD1 no hydrogen 2.811 N/A ARG 744.A NH2 ASP 741.A OD1 no hydrogen 2.980 N/A VAL 745.A N ASP 741.A O no hydrogen 3.000 N/A ASN 746.A N VAL 743.A O no hydrogen 3.014 N/A ASN 746.A ND2 GLN 733.A O no hydrogen 2.744 N/A ASN 746.A ND2 MET 742.A O no hydrogen 3.113 N/A ASP 747.A N ARG 744.A O no hydrogen 2.922 N/A MET 748.A N VAL 743.A O no hydrogen 2.924 N/A ARG 750.A N GLU 650.A OE1 no hydrogen 2.725 N/A ARG 750.A NH1 GLU 650.A OE2 no hydrogen 2.887 N/A ALA 752.A N ASP 749.A OD1 no hydrogen 2.843 N/A LEU 753.A N ASP 749.A O no hydrogen 2.817 N/A GLN 754.A N ARG 750.A O no hydrogen 2.721 N/A ALA 755.A N TYR 751.A O no hydrogen 2.903 N/A ALA 756.A N ALA 752.A O no hydrogen 3.020 N/A ALA 757.A N LEU 753.A O no hydrogen 2.917 N/A LEU 758.A N GLN 754.A O no hydrogen 2.941 N/A LYS 759.A N ALA 755.A O no hydrogen 2.729 N/A LEU 760.A N ALA 756.A O no hydrogen 3.152 N/A LEU 760.A N ALA 757.A O no hydrogen 2.962 N/A ILE 761.A N ALA 757.A O no hydrogen 3.170 N/A ASP 762.A N LEU 758.A O no hydrogen 3.017 N/A LYS 765.A N ASP 762.A OD1 no hydrogen 3.250 N/A TYR 766.A N ASP 762.A O no hydrogen 2.977 N/A ALA 767.A N ASP 764.A O no hydrogen 3.338 N/A ILE 770.A N TYR 766.A O no hydrogen 3.031 N/A ASP 771.A N ALA 767.A O no hydrogen 3.105 N/A GLU 772.A N ASP 768.A O no hydrogen 2.904 N/A LEU 773.A N LYS 769.A O no hydrogen 2.853 N/A ASN 774.A N ILE 770.A O no hydrogen 2.851 N/A ALA 775.A N ASP 771.A O no hydrogen 3.053 N/A PHE 776.A N GLU 772.A O no hydrogen 2.817 N/A ARG 777.A N LEU 773.A O no hydrogen 3.124 N/A ARG 777.A NE ASP 749.A OD2 no hydrogen 2.688 N/A ARG 777.A NH1 ASN 774.A OD1 no hydrogen 2.984 N/A ARG 777.A NH2 ASP 747.A OD1 no hydrogen 3.110 N/A ARG 777.A NH2 ASP 749.A OD2 no hydrogen 3.100 N/A LYS 778.A N ASN 774.A O no hydrogen 3.317 N/A LYS 779.A N ALA 775.A O no hydrogen 3.016 N/A ALA 780.A N PHE 776.A O no hydrogen 2.876 N/A PHE 781.A N ARG 777.A O no hydrogen 2.927 N/A GLN 782.A N LYS 778.A O no hydrogen 2.883 N/A GLN 782.A NE2 ASP 786.A OD1 no hydrogen 2.478 N/A PHE 783.A N LYS 779.A O no hydrogen 2.970 N/A ALA 784.A N ALA 780.A O no hydrogen 3.040 N/A VAL 785.A N PHE 781.A O no hydrogen 2.895 N/A ASP 786.A N GLN 782.A O no hydrogen 2.870 N/A ASN 787.A N PHE 783.A O no hydrogen 2.873 N/A ASN 787.A ND2 PHE 783.A O no hydrogen 2.978 N/A GLY 788.A N ALA 784.A O no hydrogen 2.733 N/A PHE 794.A N ILE 791.A O no hydrogen 2.908 N/A THR 795.A N ILE 791.A O no hydrogen 3.187 N/A THR 795.A OG1 PRO 792.A O no hydrogen 3.466 N/A THR 795.A OG1 ASP 796.A OD1 no hydrogen 2.979 N/A ASP 796.A N PRO 792.A O no hydrogen 2.753 N/A TRP 797.A NE1 ASP 656.A OD2 no hydrogen 2.857 N/A VAL 802.A N TYR 799.A O no hydrogen 3.173 N/A