Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1t9d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ILE 178.A O no hydrogen 2.593 N/A SER 4.A N ASP 2.A OD2 no hydrogen 3.009 N/A SER 4.A OG ASP 2.A OD1 no hydrogen 3.052 N/A SER 4.A OG ASP 2.A OD2 no hydrogen 2.731 N/A VAL 6.A N THR 3.A O no hydrogen 3.096 N/A GLY 7.A N LEU 174.A O no hydrogen 2.808 N/A LEU 8.A N PHE 5.A O no hydrogen 2.967 N/A THR 9.A N GLN 12.A OE1 no hydrogen 2.735 N/A GLY 10.A N ALA 172.A O no hydrogen 2.869 N/A GLY 11.A N THR 170.A O no hydrogen 2.792 N/A GLN 12.A N THR 9.A OG1 no hydrogen 3.008 N/A ILE 13.A N THR 9.A O no hydrogen 2.934 N/A PHE 14.A N GLY 10.A O no hydrogen 2.806 N/A ASN 15.A N GLY 11.A O no hydrogen 2.890 N/A ASN 15.A ND2 SER 44.A OG no hydrogen 3.131 N/A GLU 16.A N GLN 12.A O no hydrogen 2.929 N/A MET 17.A N ILE 13.A O no hydrogen 2.856 N/A MET 18.A N PHE 14.A O no hydrogen 3.062 N/A SER 19.A OG GLU 16.A O no hydrogen 2.946 N/A ARG 20.A N GLU 16.A O no hydrogen 3.377 N/A GLN 21.A N MET 17.A O no hydrogen 2.879 N/A GLN 21.A N MET 18.A O no hydrogen 3.209 N/A GLN 21.A NE2 ASN 147.A OD1 no hydrogen 2.848 N/A ASN 22.A N SER 19.A O no hydrogen 3.219 N/A VAL 23.A N MET 18.A O no hydrogen 2.937 N/A THR 25.A OG1 ASP 24.A OD1 no hydrogen 2.620 N/A VAL 26.A N ASN 48.A O no hydrogen 2.937 N/A PHE 27.A N VAL 74.A O no hydrogen 2.885 N/A GLY 28.A N VAL 50.A O no hydrogen 3.165 N/A TYR 29.A N LEU 76.A O no hydrogen 3.113 N/A ILE 34.A N GLY 31.A O no hydrogen 3.303 N/A LEU 35.A N GLY 32.A O no hydrogen 3.057 N/A VAL 37.A N ILE 34.A O no hydrogen 3.104 N/A TYR 38.A N ILE 34.A O no hydrogen 3.156 N/A TYR 38.A OH LEU 76.A O no hydrogen 2.731 N/A ASP 39.A N LEU 35.A O no hydrogen 2.794 N/A ALA 40.A N PRO 36.A O no hydrogen 3.195 N/A ILE 41.A N VAL 37.A O no hydrogen 3.022 N/A HIS 42.A N ASP 39.A O no hydrogen 3.431 N/A SER 44.A N ILE 41.A O no hydrogen 2.992 N/A LYS 46.A N SER 44.A OG no hydrogen 3.287 N/A LYS 46.A NZ GLU 16.A OE2.B no hydrogen 2.886 N/A LYS 46.A NZ SER 19.A OG no hydrogen 2.905 N/A ASN 48.A N ASP 24.A O no hydrogen 2.831 N/A VAL 50.A N VAL 26.A O no hydrogen 2.822 N/A LYS 53.A N GLU 468.A OE1 no hydrogen 2.966 N/A LYS 53.A N GLU 468.A OE2 no hydrogen 3.401 N/A LYS 53.A NZ SER 470.A OG no hydrogen 2.795 N/A HIS 54.A N GLU 468.A OE2 no hydrogen 3.108 N/A GLU 55.A N GLU 55.A OE1 no hydrogen 2.784 N/A GLN 56.A N HIS 54.A ND1 no hydrogen 2.907 N/A GLN 56.A NE2 HIS 60.A NE2 no hydrogen 3.096 N/A GLY 57.A N HIS 54.A O no hydrogen 2.767 N/A ALA 58.A N HIS 54.A O no hydrogen 3.316 N/A GLY 59.A N GLU 55.A O no hydrogen 2.934 N/A HIS 60.A N GLN 56.A O no hydrogen 2.979 N/A HIS 60.A ND1 GLU 63.A OE2 no hydrogen 2.907 N/A MET 61.A N GLY 57.A O no hydrogen 2.848 N/A ALA 62.A N ALA 58.A O no hydrogen 2.984 N/A GLU 63.A N GLY 59.A O no hydrogen 3.057 N/A GLY 64.A N HIS 60.A O no hydrogen 2.965 N/A TYR 65.A N MET 61.A O no hydrogen 2.836 N/A TYR 65.A OH ASP 24.A OD1 no hydrogen 2.911 N/A ALA 66.A N ALA 62.A O no hydrogen 2.929 N/A ARG 67.A N GLU 63.A O no hydrogen 2.793 N/A ALA 68.A N GLY 64.A O no hydrogen 3.053 N/A SER 69.A N TYR 65.A O no hydrogen 2.906 N/A SER 69.A OG TYR 65.A O no hydrogen 2.719 N/A GLY 70.A N ALA 66.A O no hydrogen 2.790 N/A LYS 71.A N SER 69.A OG no hydrogen 3.146 N/A LYS 71.A NZ ASN 22.A O no hydrogen 2.786 N/A GLY 73.A N PRO 99.A O no hydrogen 3.045 N/A VAL 75.A N VAL 101.A O no hydrogen 2.974 N/A LEU 76.A N PHE 27.A O no hydrogen 2.835 N/A VAL 77.A N PHE 103.A O no hydrogen 2.951 N/A SER 79.A OG GLN 118.A O no hydrogen 2.804 N/A GLY 82.A N SER 79.A O no hydrogen 3.108 N/A ALA 83.A N GLY 80.A O no hydrogen 2.995 N/A THR 84.A N GLY 80.A O no hydrogen 3.034 N/A THR 84.A OG1 GLY 80.A O no hydrogen 3.466 N/A THR 84.A OG1 PRO 81.A O no hydrogen 3.121 N/A ASN 85.A N PRO 81.A O no hydrogen 2.936 N/A ASN 85.A ND2 GLU 55.A OE1 no hydrogen 2.908 N/A VAL 86.A N ALA 83.A O no hydrogen 3.072 N/A VAL 87.A N THR 84.A O no hydrogen 3.254 N/A MET 90.A N VAL 86.A O no hydrogen 3.150 N/A ALA 91.A N VAL 87.A O no hydrogen 2.934 N/A ASP 92.A N THR 88.A O no hydrogen 2.785 N/A ALA 93.A N PRO 89.A O no hydrogen 2.860 N/A PHE 94.A N MET 90.A O no hydrogen 2.829 N/A ALA 95.A N ALA 91.A O no hydrogen 3.064 N/A ASP 96.A N ASP 92.A O no hydrogen 3.098 N/A ILE 98.A N ALA 93.A O no hydrogen 2.827 N/A MET 100.A N GLY 159.A O no hydrogen 3.250 N/A VAL 101.A N GLY 73.A O no hydrogen 2.858 N/A VAL 102.A N VAL 161.A O no hydrogen 2.839 N/A PHE 103.A N VAL 75.A O no hydrogen 2.799 N/A THR 104.A N VAL 163.A O no hydrogen 3.048 N/A THR 104.A OG1 ASP 164.A OD1 no hydrogen 2.822 N/A GLY 105.A N VAL 77.A O no hydrogen 2.845 N/A GLN 106.A N LEU 165.A O no hydrogen 2.820 N/A GLN 106.A NE2 ALA 120.A O no hydrogen 3.173 N/A GLN 106.A NE2 ASP 164.A OD2 no hydrogen 2.869 N/A VAL 107.A N GLN 106.A OE1 no hydrogen 2.746 N/A THR 109.A N ASP 168.A OD1 no hydrogen 2.806 N/A THR 109.A OG1 ASP 168.A OD2 no hydrogen 2.651 N/A ALA 111.A N PRO 108.A O no hydrogen 2.713 N/A ILE 112.A N PRO 108.A O no hydrogen 3.161 N/A GLY 113.A N GLU 119.A OE2 no hydrogen 2.611 N/A THR 114.A N ALA 111.A O no hydrogen 3.119 N/A THR 114.A OG1 ALA 111.A O no hydrogen 2.550 N/A ALA 116.A N GLU 119.A OE1 no hydrogen 2.730 N/A GLU 119.A N ALA 116.A O no hydrogen 3.180 N/A GLY 124.A N ASP 121.A OD1 no hydrogen 3.227 N/A ILE 125.A N ASP 121.A O no hydrogen 2.883 N/A SER 126.A N VAL 122.A O no hydrogen 2.863 N/A SER 126.A OG VAL 122.A O no hydrogen 2.680 N/A ARG 127.A N GLY 124.A O no hydrogen 3.245 N/A CYS 129.A N SER 126.A O no hydrogen 3.173 N/A CYS 129.A SG SER 126.A O no hydrogen 3.739 N/A THR 130.A OG1 SER 126.A O no hydrogen 2.866 N/A THR 130.A OG1 TRP 132.A O no hydrogen 3.490 N/A LYS 131.A N PRO 160.A O no hydrogen 2.770 N/A LYS 131.A NZ ILE 152.A O no hydrogen 2.756 N/A LYS 131.A NZ ARG 157.A O no hydrogen 2.835 N/A ASN 133.A ND2 VAL 123.A O no hydrogen 2.860 N/A ASN 133.A ND2 SER 126.A OG no hydrogen 3.172 N/A VAL 134.A N LEU 162.A O no hydrogen 2.938 N/A VAL 136.A N ASP 164.A O no hydrogen 3.051 N/A LYS 137.A N GLU 141.A OE2 no hydrogen 3.026 N/A SER 138.A OG GLU 140.A OE1 no hydrogen 3.294 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.823 N/A GLU 141.A N SER 138.A O no hydrogen 3.253 N/A LEU 142.A N VAL 139.A O no hydrogen 3.111 N/A ARG 145.A N GLU 141.A O no hydrogen 2.925 N/A ARG 145.A NE GLU 141.A OE2 no hydrogen 3.548 N/A ARG 145.A NH1 GLU 148.A OE1 no hydrogen 2.827 N/A ILE 146.A N LEU 142.A O no hydrogen 3.055 N/A ASN 147.A N PRO 143.A O no hydrogen 3.082 N/A ASN 147.A ND2 THR 182.A O no hydrogen 2.705 N/A GLU 148.A N LEU 144.A O no hydrogen 2.997 N/A ALA 149.A N ARG 145.A O no hydrogen 2.959 N/A PHE 150.A N ILE 146.A O no hydrogen 3.119 N/A GLU 151.A N ASN 147.A O no hydrogen 3.120 N/A ILE 152.A N GLU 148.A O no hydrogen 2.937 N/A ALA 153.A N ALA 149.A O no hydrogen 2.992 N/A THR 154.A N PHE 150.A O no hydrogen 3.155 N/A THR 154.A OG1 PHE 150.A O no hydrogen 2.640 N/A THR 154.A OG1 GLU 151.A O no hydrogen 3.273 N/A SER 155.A OG GLU 151.A O no hydrogen 3.004 N/A SER 155.A OG ILE 152.A O no hydrogen 3.533 N/A ARG 157.A NH2 ALA 95.A O no hydrogen 2.793 N/A GLY 159.A N ALA 153.A O no hydrogen 3.052 N/A VAL 161.A N MET 100.A O no hydrogen 2.872 N/A LEU 162.A N TRP 132.A O no hydrogen 3.193 N/A VAL 163.A N VAL 102.A O no hydrogen 2.760 N/A ASP 164.A N VAL 134.A O no hydrogen 2.786 N/A LEU 165.A N THR 104.A O no hydrogen 2.776 N/A LYS 167.A N GLN 106.A O no hydrogen 2.755 N/A VAL 169.A N PRO 166.A O no hydrogen 2.846 N/A THR 170.A N PRO 166.A O no hydrogen 3.142 N/A THR 170.A OG1 LYS 167.A O no hydrogen 3.152 N/A ALA 171.A N LYS 167.A O no hydrogen 3.051 N/A LEU 174.A N LEU 8.A O no hydrogen 2.809 N/A ASN 176.A ND2 GLU 140.A OE2 no hydrogen 3.220 N/A ILE 178.A N ASP 2.A O no hydrogen 2.888 N/A THR 182.A N PRO 179.A O no hydrogen 3.017 N/A THR 182.A OG1 PRO 179.A O no hydrogen 2.657 N/A THR 183.A N THR 180.A O no hydrogen 3.088 N/A THR 183.A OG1 ASP 2.A OD1 no hydrogen 3.343 N/A THR 183.A OG1 THR 180.A O no hydrogen 2.864 N/A LEU 184.A N LYS 181.A O no hydrogen 3.425 N/A ASP 191.A N SER 187.A O no hydrogen 3.107 N/A GLU 192.A N ARG 188.A O no hydrogen 3.225 N/A PHE 193.A N ALA 189.A O no hydrogen 2.952 N/A VAL 194.A N GLN 190.A O no hydrogen 2.784 N/A MET 195.A N ASP 191.A O no hydrogen 2.897 N/A GLN 196.A N GLU 192.A O no hydrogen 2.992 N/A GLN 196.A NE2.B GLU 192.A O no hydrogen 3.388 N/A SER 197.A N PHE 193.A O no hydrogen 2.978 N/A SER 197.A OG VAL 194.A O no hydrogen 2.597 N/A ILE 198.A N VAL 194.A O no hydrogen 2.789 N/A ASN 199.A N MET 195.A O no hydrogen 2.810 N/A LYS 200.A N GLN 196.A O no hydrogen 3.005 N/A ALA 201.A N SER 197.A O no hydrogen 2.895 N/A ALA 202.A N ILE 198.A O no hydrogen 2.894 N/A ASP 203.A N ASN 199.A O no hydrogen 2.976 N/A LEU 204.A N LYS 200.A O no hydrogen 3.094 N/A ILE 205.A N ALA 201.A O no hydrogen 2.993 N/A ASN 206.A N ALA 202.A O no hydrogen 2.880 N/A ASN 206.A ND2 LYS 346.A O no hydrogen 3.062 N/A LEU 207.A N LEU 204.A O no hydrogen 3.249 N/A ALA 208.A N ILE 205.A O no hydrogen 3.143 N/A LYS 209.A N ASP 277.A OD2 no hydrogen 2.850 N/A LYS 209.A NZ LEU 207.A O no hydrogen 2.819 N/A LYS 210.A N ASP 277.A OD1 no hydrogen 2.856 N/A LYS 210.A NZ ASN 275.A O no hydrogen 2.984 N/A LYS 210.A NZ GLU 300.A OE1 no hydrogen 3.482 N/A VAL 212.A N LEU 278.A O no hydrogen 2.940 N/A LEU 213.A N PRO 239.A O no hydrogen 3.090 N/A TYR 214.A N ILE 280.A O no hydrogen 2.881 N/A VAL 215.A N THR 241.A O no hydrogen 2.981 N/A GLY 216.A N VAL 282.A O no hydrogen 2.861 N/A GLY 218.A N GLY 283.A O no hydrogen 2.929 N/A ILE 219.A N GLY 216.A O no hydrogen 3.218 N/A LEU 220.A N ALA 217.A O no hydrogen 2.953 N/A ASN 221.A N GLY 218.A O no hydrogen 3.184 N/A GLY 225.A N HIS 222.A O no hydrogen 2.953 N/A LEU 228.A N ASP 224.A O no hydrogen 2.969 N/A LEU 229.A N GLY 225.A O no hydrogen 2.899 N/A LYS 230.A N PRO 226.A O no hydrogen 2.969 N/A LYS 230.A NZ ASP 234.A OD2 no hydrogen 3.020 N/A GLU 231.A N ARG 227.A O no hydrogen 2.980 N/A LEU 232.A N LEU 228.A O no hydrogen 2.941 N/A SER 233.A N LEU 229.A O no hydrogen 3.015 N/A SER 233.A OG ILE 238.A O no hydrogen 2.629 N/A ASP 234.A N LYS 230.A O no hydrogen 2.934 N/A ARG 235.A N GLU 231.A O no hydrogen 2.895 N/A ARG 235.A NE ILE 347.A O no hydrogen 2.851 N/A ARG 235.A NH2 ILE 347.A O no hydrogen 3.078 N/A ALA 236.A N LEU 232.A O no hydrogen 3.092 N/A GLN 237.A N ASP 234.A O no hydrogen 3.412 N/A GLN 237.A NE2 ASP 234.A O no hydrogen 3.069 N/A ILE 238.A N SER 233.A O no hydrogen 2.899 N/A VAL 240.A N LYS 256.A O no hydrogen 2.772 N/A THR 241.A N LEU 213.A O no hydrogen 2.984 N/A THR 241.A OG1 ASP 259.A O no hydrogen 2.760 N/A THR 242.A N ASP 259.A O no hydrogen 3.282 N/A THR 242.A OG1 THR 243.A O no hydrogen 3.217 N/A THR 243.A N VAL 215.A O no hydrogen 3.046 N/A GLN 245.A NE2 THR 427.A O no hydrogen 3.104 N/A GLY 246.A N THR 243.A O no hydrogen 3.030 N/A SER 249.A N GLY 246.A O no hydrogen 2.959 N/A SER 249.A OG GLY 246.A O no hydrogen 2.839 N/A GLN 252.A N TRP 419.A O no hydrogen 2.961 N/A GLU 253.A N ASP 251.A OD1 no hydrogen 2.719 N/A ASP 254.A N ASP 251.A O no hydrogen 2.938 N/A LYS 256.A N ASP 254.A OD1 no hydrogen 2.598 N/A LYS 256.A NZ ASP 234.A OD1 no hydrogen 2.810 N/A LYS 256.A NZ ASP 254.A OD1 no hydrogen 3.541 N/A SER 257.A N ASP 254.A O no hydrogen 2.939 N/A LEU 258.A N VAL 240.A O no hydrogen 2.761 N/A ASP 259.A N SER 257.A OG no hydrogen 3.397 N/A MET 260.A N ASP 259.A OD1 no hydrogen 2.813 N/A LEU 261.A N THR 242.A O no hydrogen 3.278 N/A GLY 262.A N ASN 270.A OD1 no hydrogen 2.806 N/A MET 263.A N ARG 289.A O no hydrogen 2.844 N/A HIS 264.A ND1 PRO 562.A O no hydrogen 2.955 N/A GLY 265.A N GLY 262.A O no hydrogen 2.922 N/A CYS 266.A N MET 260.A O no hydrogen 2.665 N/A ASN 270.A N CYS 266.A O no hydrogen 3.154 N/A ASN 270.A ND2 GLY 262.A O no hydrogen 3.034 N/A LEU 271.A N ALA 267.A O no hydrogen 2.806 N/A ALA 272.A N THR 268.A O no hydrogen 2.791 N/A VAL 273.A N ALA 269.A O no hydrogen 3.021 N/A GLN 274.A N ASN 270.A O no hydrogen 3.037 N/A GLN 274.A NE2 LYS 296.A O no hydrogen 2.834 N/A GLN 274.A NE2 ASP 571.A OD2 no hydrogen 3.464 N/A ASN 275.A N ALA 272.A O no hydrogen 3.347 N/A ASN 275.A ND2 LEU 271.A O no hydrogen 2.886 N/A ASP 277.A N LYS 210.A O no hydrogen 3.091 N/A ILE 279.A N GLY 311.A O no hydrogen 2.977 N/A ILE 280.A N VAL 212.A O no hydrogen 2.810 N/A ALA 281.A N ILE 313.A O no hydrogen 2.836 N/A VAL 282.A N TYR 214.A O no hydrogen 2.892 N/A GLY 283.A N PHE 315.A O no hydrogen 3.183 N/A PHE 286.A N TYR 214.A OH no hydrogen 2.905 N/A ARG 289.A N ASP 287.A OD2 no hydrogen 2.933 N/A ARG 289.A NE ASP 288.A OD1 no hydrogen 2.715 N/A ARG 289.A NH2 ASP 288.A OD1 no hydrogen 2.969 N/A VAL 290.A N ASP 287.A O no hydrogen 3.046 N/A THR 291.A N ASP 287.A O no hydrogen 3.199 N/A THR 291.A OG1 GLY 292.A O no hydrogen 3.090 N/A ASN 293.A N SER 568.A O no hydrogen 2.913 N/A ASN 293.A ND2 GLY 567.A O no hydrogen 2.732 N/A SER 295.A N ASN 293.A OD1 no hydrogen 2.968 N/A SER 295.A OG ASN 293.A OD1 no hydrogen 2.820 N/A LYS 296.A N ASN 293.A O no hydrogen 2.864 N/A LYS 296.A NZ GLY 567.A O no hydrogen 2.692 N/A LYS 296.A NZ GLU 572.A OE1 no hydrogen 2.712 N/A PHE 297.A N ILE 294.A O no hydrogen 3.160 N/A ALA 298.A N GLN 274.A OE1 no hydrogen 2.818 N/A ALA 301.A N ALA 298.A O no hydrogen 3.157 N/A ARG 302.A N ALA 298.A O no hydrogen 3.071 N/A ARG 303.A N PRO 299.A O no hydrogen 2.957 N/A ARG 303.A NE GLU 300.A OE2 no hydrogen 3.227 N/A ARG 303.A NH2 GLU 300.A OE2 no hydrogen 2.759 N/A ALA 304.A N GLU 300.A O no hydrogen 3.024 N/A ALA 305.A N ALA 301.A O no hydrogen 2.947 N/A ALA 306.A N ARG 302.A O no hydrogen 3.034 N/A GLU 307.A N ARG 303.A O no hydrogen 3.135 N/A GLU 307.A N ALA 304.A O no hydrogen 3.117 N/A GLY 308.A N ALA 305.A O no hydrogen 2.898 N/A ARG 309.A N ALA 304.A O no hydrogen 2.790 N/A ARG 309.A NE GLU 307.A OE1 no hydrogen 2.643 N/A ARG 309.A NH2 GLU 307.A OE1 no hydrogen 3.190 N/A GLY 311.A N ASP 277.A O no hydrogen 2.931 N/A ILE 312.A N GLN 329.A OE1 no hydrogen 2.707 N/A ILE 313.A N ILE 279.A O no hydrogen 2.988 N/A HIS 314.A N ILE 330.A O no hydrogen 2.862 N/A HIS 314.A NE2 ALA 284.A O no hydrogen 2.912 N/A PHE 315.A N ALA 281.A O no hydrogen 2.824 N/A GLU 316.A N VAL 332.A O no hydrogen 3.158 N/A SER 318.A N GLU 316.A OE2 no hydrogen 2.724 N/A ASN 321.A N SER 318.A O no hydrogen 2.938 N/A ILE 322.A N PRO 319.A O no hydrogen 3.110 N/A LYS 324.A NZ ASN 321.A OD1 no hydrogen 2.806 N/A THR 328.A N ASN 323.A OD1 no hydrogen 3.048 N/A THR 328.A OG1 ASN 323.A OD1 no hydrogen 2.842 N/A GLN 329.A N ILE 312.A O no hydrogen 2.889 N/A ILE 330.A N ILE 312.A O no hydrogen 3.300 N/A VAL 332.A N HIS 314.A O no hydrogen 2.743 N/A GLY 334.A N GLU 316.A O no hydrogen 3.125 N/A THR 338.A N ASP 335.A OD2 no hydrogen 2.830 N/A THR 338.A OG1 ASP 335.A OD2 no hydrogen 2.640 N/A ASN 339.A N ASP 335.A O no hydrogen 3.079 N/A ASN 339.A ND2 GLU 333.A O no hydrogen 2.962 N/A LEU 340.A N ALA 336.A O no hydrogen 2.836 N/A GLY 341.A N THR 337.A O no hydrogen 3.055 N/A LYS 342.A N THR 338.A O no hydrogen 3.198 N/A MET 343.A N ASN 339.A O no hydrogen 3.049 N/A MET 344.A N LEU 340.A O no hydrogen 3.016 N/A LYS 346.A N MET 343.A O no hydrogen 2.839 N/A LYS 346.A NZ ASN 199.A OD1 no hydrogen 2.973 N/A ILE 347.A N MET 344.A O no hydrogen 3.056 N/A PHE 348.A N ASN 206.A OD1 no hydrogen 2.745 N/A VAL 350.A N ARG 235.A O no hydrogen 2.807 N/A ARG 353.A NE ALA 236.A O no hydrogen 2.984 N/A ARG 353.A NE GLN 237.A O no hydrogen 3.000 N/A ARG 353.A NH1 ALA 208.A O no hydrogen 2.968 N/A ARG 353.A NH1 LYS 209.A O no hydrogen 3.468 N/A ARG 353.A NH2 ALA 236.A O no hydrogen 2.967 N/A SER 354.A N GLU 352.A OE1 no hydrogen 3.202 N/A SER 354.A OG GLU 352.A OE1 no hydrogen 2.652 N/A TRP 356.A NE1 PRO 211.A O no hydrogen 2.968 N/A PHE 357.A N ARG 353.A O no hydrogen 2.910 N/A ALA 358.A N SER 354.A O no hydrogen 2.737 N/A GLN 359.A N GLU 355.A O no hydrogen 2.978 N/A ILE 360.A N TRP 356.A O no hydrogen 3.033 N/A ASN 361.A N PHE 357.A O no hydrogen 2.782 N/A LYS 362.A N ALA 358.A O no hydrogen 2.963 N/A TRP 363.A N GLN 359.A O no hydrogen 3.075 N/A LYS 364.A N ILE 360.A O no hydrogen 2.962 N/A LYS 364.A NZ SER 257.A O no hydrogen 2.887 N/A LYS 365.A N ASN 361.A O no hydrogen 3.200 N/A GLU 366.A N LYS 362.A O no hydrogen 3.186 N/A TYR 367.A N TRP 363.A O no hydrogen 2.696 N/A TYR 369.A OH ASP 259.A OD1 no hydrogen 2.776 N/A ALA 370.A N PRO 368.A O no hydrogen 2.730 N/A TYR 371.A OH THR 384.A OG1 no hydrogen 2.859 N/A GLU 374.A N GLU 374.A OE1 no hydrogen 2.745 N/A THR 375.A N SER 378.A OG no hydrogen 3.215 N/A SER 378.A N THR 375.A O no hydrogen 3.025 N/A SER 378.A OG THR 375.A O no hydrogen 3.094 N/A SER 378.A OG LYS 379.A O no hydrogen 3.038 N/A LYS 381.A N GLU 374.A OE2 no hydrogen 2.921 N/A LYS 381.A NZ ASP 555.A OD2 no hydrogen 2.788 N/A GLN 383.A N GLN 383.A OE1 no hydrogen 2.662 N/A THR 384.A OG1 TYR 371.A OH no hydrogen 2.859 N/A THR 384.A OG1 GLU 374.A OE1 no hydrogen 2.746 N/A THR 384.A OG1 GLU 374.A OE2 no hydrogen 3.424 N/A VAL 385.A N LYS 381.A O no hydrogen 3.245 N/A ILE 386.A N PRO 382.A O no hydrogen 3.281 N/A LYS 387.A N GLN 383.A O no hydrogen 3.141 N/A LYS 388.A N THR 384.A O no hydrogen 2.963 N/A LYS 388.A NZ ASP 535.A OD1 no hydrogen 2.814 N/A LEU 389.A N VAL 385.A O no hydrogen 2.758 N/A SER 390.A N ILE 386.A O no hydrogen 2.832 N/A LYS 391.A N LYS 387.A O no hydrogen 3.437 N/A LYS 391.A NZ ASP 395.A OD2 no hydrogen 2.848 N/A VAL 392.A N LYS 388.A O no hydrogen 3.066 N/A ALA 393.A N LEU 389.A O no hydrogen 2.775 N/A ASN 394.A N SER 390.A O no hydrogen 3.034 N/A ASN 394.A ND2 ASP 395.A OD1 no hydrogen 3.285 N/A ASP 395.A N LYS 391.A O no hydrogen 2.948 N/A THR 396.A N ALA 393.A O no hydrogen 3.161 N/A THR 396.A OG1 ALA 393.A O no hydrogen 2.546 N/A GLY 397.A N ASN 394.A O no hydrogen 3.301 N/A ARG 398.A N THR 396.A OG1 no hydrogen 3.373 N/A ARG 398.A NH2 GLU 450.A O no hydrogen 3.048 N/A HIS 399.A ND1 SER 451.A OG no hydrogen 2.593 N/A ILE 401.A N LEU 452.A O no hydrogen 2.868 N/A VAL 402.A N THR 424.A O no hydrogen 2.704 N/A THR 403.A N ILE 454.A O no hydrogen 2.856 N/A THR 403.A OG1 GLY 437.A O no hydrogen 2.939 N/A THR 404.A OG1 GLY 405.A O no hydrogen 2.824 N/A THR 404.A OG1 THR 427.A OG1 no hydrogen 2.689 N/A GLY 405.A N ILE 456.A O no hydrogen 3.407 N/A VAL 406.A N SER 461.A OG no hydrogen 3.111 N/A GLY 407.A N GLN 410.A OE1 no hydrogen 3.166 N/A GLN 408.A NE2 GLN 494.A OE1 no hydrogen 2.767 N/A GLN 408.A NE2 VAL 558.A O no hydrogen 2.814 N/A HIS 409.A ND1 ILE 456.A O no hydrogen 3.066 N/A GLN 410.A NE2 THR 427.A OG1 no hydrogen 2.717 N/A GLN 410.A NE2 SER 428.A O no hydrogen 3.028 N/A MET 411.A N GLY 407.A O no hydrogen 3.164 N/A TRP 412.A N GLN 408.A O no hydrogen 2.775 N/A ALA 413.A N HIS 409.A O no hydrogen 2.944 N/A ALA 414.A N GLN 410.A O no hydrogen 3.113 N/A GLN 415.A N MET 411.A O no hydrogen 2.928 N/A GLN 415.A NE2 HIS 264.A O no hydrogen 2.762 N/A GLN 415.A NE2 LEU 561.A O no hydrogen 3.378 N/A HIS 416.A N TRP 412.A O no hydrogen 2.934 N/A TRP 417.A N ALA 413.A O no hydrogen 3.195 N/A THR 418.A N SER 390.A OG no hydrogen 3.402 N/A TRP 419.A N GLN 252.A OE1 no hydrogen 2.976 N/A TRP 419.A NE1 ALA 414.A O no hydrogen 3.045 N/A ARG 420.A NE ASP 251.A OD1 no hydrogen 3.147 N/A ARG 420.A NE ASP 251.A OD2 no hydrogen 3.485 N/A ARG 420.A NH2 ASP 251.A OD2 no hydrogen 3.013 N/A THR 424.A OG1 ASN 421.A O no hydrogen 2.596 N/A ILE 426.A N VAL 402.A O no hydrogen 2.690 N/A THR 427.A OG1 THR 404.A OG1 no hydrogen 2.689 N/A SER 428.A OG ASP 92.A OD2 no hydrogen 2.587 N/A GLY 429.A N ASP 96.A OD2 no hydrogen 2.898 N/A GLY 430.A N ASP 96.A OD1 no hydrogen 2.771 N/A THR 433.A N SER 428.A OG no hydrogen 2.798 N/A THR 433.A OG1 ASP 92.A OD2 no hydrogen 2.829 N/A TYR 436.A N THR 433.A O no hydrogen 3.233 N/A ALA 440.A N TYR 436.A O no hydrogen 2.991 N/A ALA 441.A N GLY 437.A O no hydrogen 2.954 N/A ILE 442.A N LEU 438.A O no hydrogen 3.001 N/A GLY 443.A N PRO 439.A O no hydrogen 2.969 N/A ALA 444.A N ALA 440.A O no hydrogen 2.838 N/A GLN 445.A N ALA 441.A O no hydrogen 2.821 N/A GLN 445.A NE2 GLN 445.A O no hydrogen 3.458 N/A GLN 445.A NE2 LYS 448.A O no hydrogen 2.932 N/A GLN 445.A NE2 SER 451.A O no hydrogen 2.967 N/A VAL 446.A N ILE 442.A O no hydrogen 3.038 N/A ALA 447.A N GLY 443.A O no hydrogen 3.100 N/A LYS 448.A N ALA 444.A O no hydrogen 2.884 N/A SER 451.A N LYS 448.A O no hydrogen 3.062 N/A SER 451.A OG HIS 399.A ND1 no hydrogen 2.593 N/A LEU 452.A N HIS 399.A O no hydrogen 2.745 N/A ILE 454.A N ILE 401.A O no hydrogen 2.828 N/A ASP 455.A N LYS 480.A O no hydrogen 2.750 N/A ILE 456.A N THR 403.A O no hydrogen 2.836 N/A ASP 457.A N LEU 482.A O no hydrogen 2.776 N/A GLY 458.A N ASP 457.A OD1 no hydrogen 3.141 N/A SER 461.A OG VAL 406.A O no hydrogen 3.157 N/A PHE 462.A N GLY 458.A O no hydrogen 2.900 N/A ASN 463.A N ASP 459.A O no hydrogen 3.226 N/A ASN 463.A ND2 ASP 459.A O no hydrogen 2.874 N/A ASN 463.A ND2 ASN 511.A OD1 no hydrogen 2.847 N/A MET 464.A N SER 461.A O no hydrogen 3.109 N/A THR 465.A OG1 GLY 435.A O no hydrogen 2.682 N/A GLU 468.A N THR 465.A O no hydrogen 3.057 N/A LEU 469.A N LEU 466.A O no hydrogen 3.165 N/A SER 470.A OG THR 467.A O no hydrogen 3.277 N/A SER 471.A OG GLU 468.A OE1 no hydrogen 2.612 N/A ALA 472.A N GLU 468.A O no hydrogen 3.153 N/A ALA 472.A N LEU 469.A O no hydrogen 3.235 N/A GLN 474.A N SER 470.A O no hydrogen 2.923 N/A ALA 475.A N SER 471.A O no hydrogen 2.682 N/A GLY 476.A N VAL 473.A O no hydrogen 3.143 N/A THR 477.A N ALA 472.A O no hydrogen 3.019 N/A THR 477.A OG1 ALA 472.A O no hydrogen 3.259 N/A VAL 479.A N THR 477.A O no hydrogen 2.785 N/A LYS 480.A N VAL 453.A O no hydrogen 2.846 N/A LYS 480.A NZ PRO 478.A O no hydrogen 3.070 N/A LYS 480.A NZ THR 544.A O no hydrogen 2.685 N/A LYS 480.A NZ GLY 546.A O no hydrogen 2.970 N/A ILE 481.A N VAL 548.A O no hydrogen 2.840 N/A LEU 482.A N ASP 455.A O no hydrogen 2.827 N/A ILE 483.A N LEU 550.A O no hydrogen 2.895 N/A LEU 484.A N ASP 457.A O no hydrogen 2.947 N/A ASN 485.A N VAL 552.A O no hydrogen 2.960 N/A ASN 485.A ND2 GLU 551.A OE2 no hydrogen 2.933 N/A GLU 487.A N ASN 485.A OD1 no hydrogen 2.791 N/A GLN 489.A N THR 507.A O no hydrogen 3.009 N/A VAL 492.A N GLN 489.A O no hydrogen 2.897 N/A THR 493.A N GLN 489.A O no hydrogen 2.922 N/A THR 493.A OG1 GLU 488.A OE1 no hydrogen 2.775 N/A THR 493.A OG1 GLY 490.A O no hydrogen 2.948 N/A GLN 494.A N GLY 490.A O no hydrogen 2.861 N/A GLN 494.A NE2 VAL 560.A O no hydrogen 3.187 N/A TRP 495.A N MET 491.A O no hydrogen 3.423 N/A GLN 496.A N VAL 492.A O no hydrogen 2.941 N/A GLN 496.A NE2 SER 505.A O no hydrogen 3.578 N/A SER 497.A N THR 493.A O no hydrogen 2.821 N/A SER 497.A OG THR 493.A O no hydrogen 2.897 N/A SER 497.A OG TYR 504.A OH no hydrogen 2.602 N/A LEU 498.A N GLN 494.A O no hydrogen 3.114 N/A PHE 499.A N TRP 495.A O no hydrogen 2.872 N/A TYR 500.A N GLN 496.A O no hydrogen 3.042 N/A HIS 502.A N GLN 496.A O no hydrogen 3.097 N/A HIS 502.A NE2 GLN 584.A OE1 no hydrogen 2.899 N/A ARG 503.A N TYR 500.A O no hydrogen 2.910 N/A ARG 503.A NH1.A GLU 501.A OE1 no hydrogen 3.417 N/A TYR 504.A OH SER 497.A OG no hydrogen 2.602 N/A SER 505.A N ARG 503.A O no hydrogen 3.099 N/A THR 507.A OG1 GLN 496.A OE1 no hydrogen 2.878 N/A GLN 509.A N GLN 509.A OE1 no hydrogen 2.786 N/A GLN 509.A NE2 ASP 459.A OD2 no hydrogen 2.783 N/A GLN 509.A NE2 ASN 511.A OD1 no hydrogen 2.947 N/A ASN 511.A ND2 ASP 459.A OD2 no hydrogen 3.296 N/A LYS 516.A N ASP 513.A OD1 no hydrogen 2.996 N/A LEU 517.A N ASP 513.A O no hydrogen 2.831 N/A ALA 518.A N PHE 514.A O no hydrogen 2.846 N/A GLU 519.A N ILE 515.A O no hydrogen 3.103 N/A ALA 520.A N LYS 516.A O no hydrogen 2.980 N/A MET 521.A N LEU 517.A O no hydrogen 2.915 N/A GLY 522.A N GLU 519.A O no hydrogen 3.103 N/A LEU 523.A N ALA 518.A O no hydrogen 2.959 N/A LYS 524.A NZ GLU 540.A OE2 no hydrogen 3.256 N/A LYS 524.A NZ THR 544.A OG1 no hydrogen 2.948 N/A LEU 526.A N LEU 549.A O no hydrogen 2.778 N/A ARG 527.A NE GLU 551.A OE1 no hydrogen 2.840 N/A ARG 527.A NH2 ASP 513.A OD1 no hydrogen 2.893 N/A ARG 527.A NH2 GLU 551.A OE1 no hydrogen 3.312 N/A VAL 528.A N GLU 551.A O no hydrogen 2.932 N/A LYS 530.A NZ GLU 532.A OE2 no hydrogen 3.041 N/A GLN 531.A NE2 THR 375.A O no hydrogen 3.037 N/A GLN 531.A NE2 SER 378.A O no hydrogen 2.800 N/A GLU 533.A N LYS 530.A O no hydrogen 2.833 N/A LEU 534.A N GLN 531.A O no hydrogen 3.221 N/A LYS 537.A N GLU 533.A O no hydrogen 3.135 N/A LYS 537.A NZ ARG 527.A O no hydrogen 2.979 N/A LYS 537.A NZ GLU 533.A OE1 no hydrogen 3.214 N/A LEU 538.A N LEU 534.A O no hydrogen 2.957 N/A LYS 539.A N ASP 535.A O no hydrogen 3.110 N/A GLU 540.A N ALA 536.A O no hydrogen 3.046 N/A PHE 541.A N LYS 537.A O no hydrogen 2.783 N/A VAL 542.A N LEU 538.A O no hydrogen 3.127 N/A SER 543.A N LYS 539.A O no hydrogen 3.160 N/A SER 543.A N GLU 540.A O no hydrogen 3.235 N/A SER 543.A OG LYS 539.A O no hydrogen 3.203 N/A THR 544.A N PHE 541.A O no hydrogen 3.346 N/A THR 544.A OG1 GLU 540.A O no hydrogen 2.716 N/A VAL 548.A N VAL 479.A O no hydrogen 3.099 N/A LEU 549.A N LYS 524.A O no hydrogen 2.885 N/A LEU 550.A N ILE 481.A O no hydrogen 2.743 N/A GLU 551.A N LEU 526.A O no hydrogen 2.795 N/A VAL 552.A N ILE 483.A O no hydrogen 2.911 N/A GLU 553.A N VAL 528.A O no hydrogen 3.080 N/A VAL 554.A N ASN 485.A O no hydrogen 3.052 N/A ASP 555.A N ILE 380.A O no hydrogen 2.809 N/A LYS 556.A N ASP 555.A OD1 no hydrogen 2.918 N/A LYS 556.A NZ GLU 487.A OE1 no hydrogen 2.809 N/A LYS 557.A N GLU 488.A OE2 no hydrogen 2.929 N/A LYS 557.A NZ GLU 488.A OE1 no hydrogen 2.676 N/A LYS 557.A NZ HIS 508.A NE2 no hydrogen 2.776 N/A VAL 560.A N GLN 494.A OE1 no hydrogen 2.819 N/A MET 563.A N ILE 574.A O no hydrogen 3.049 N/A VAL 564.A N MET 263.A O no hydrogen 2.812 N/A SER 568.A N ALA 565.A O no hydrogen 3.481 N/A SER 568.A OG ALA 565.A O no hydrogen 2.964 N/A GLY 569.A N GLU 572.A OE1 no hydrogen 2.796 N/A GLU 572.A N GLY 569.A O no hydrogen 2.828 N/A ILE 574.A N MET 563.A O no hydrogen 2.817 N/A GLU 579.A N ASP 577.A OD2 no hydrogen 2.912 N/A GLU 579.A N GLU 579.A OE1 no hydrogen 3.040 N/A VAL 580.A N ASP 577.A OD2 no hydrogen 3.414 N/A GLU 581.A N ASP 577.A O no hydrogen 3.062 N/A ARG 582.A N PRO 578.A O no hydrogen 3.110 N/A ARG 582.A NE GLU 586.A OE2 no hydrogen 2.930 N/A GLN 583.A N GLU 579.A O no hydrogen 2.948 N/A GLN 584.A N VAL 580.A O no hydrogen 2.785 N/A THR 585.A N GLU 581.A O no hydrogen 3.080 N/A THR 585.A OG1 GLU 581.A O no hydrogen 2.905 N/A GLU 586.A N ARG 582.A O no hydrogen 3.048 N/A LEU 587.A N GLN 583.A O no hydrogen 2.884 N/A ARG 588.A N GLN 584.A O no hydrogen 2.737 N/A ARG 588.A NE HIS 596.A O no hydrogen 3.162 N/A HIS 589.A N THR 585.A O no hydrogen 2.987 N/A HIS 589.A ND1 HIS 596.A OXT no hydrogen 2.932 N/A LYS 590.A N GLU 586.A O no hydrogen 3.237 N/A ARG 591.A N LEU 587.A O no hydrogen 2.954 N/A ARG 591.A NH1 HIS 502.A ND1 no hydrogen 2.879 N/A THR 592.A N ARG 588.A O no hydrogen 2.943 N/A THR 592.A OG1 ARG 588.A O no hydrogen 2.889 N/A THR 592.A OG1 HIS 596.A OXT no hydrogen 2.946 N/A GLY 593.A N LYS 590.A O no hydrogen 3.150 N/A GLY 594.A N HIS 589.A O no hydrogen 2.610 N/A LYS 595.A N THR 592.A O no hydrogen 2.972 N/A HIS 596.A N THR 592.A OG1 no hydrogen 2.972 N/A