Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xpy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N PRO 3.A O no hydrogen 3.339 N/A GLU 7.A N PRO 3.A O no hydrogen 3.158 N/A GLN 8.A N LEU 4.A O no hydrogen 3.040 N/A GLN 8.A NE2 SER 5.A O no hydrogen 3.228 N/A ARG 9.A NE GLU 448.A OE2 no hydrogen 3.277 N/A ARG 9.A NH2 GLU 448.A OE1 no hydrogen 3.121 N/A ARG 9.A NH2 GLU 448.A OE2 no hydrogen 2.860 N/A ARG 10.A N GLU 7.A O no hydrogen 3.109 N/A ARG 10.A NH1 GLU 7.A OE2 no hydrogen 2.848 N/A ARG 10.A NH2 ASP 429.A OD1 no hydrogen 2.660 N/A SER 14.A OG ASP 423.A OD1 no hydrogen 3.493 N/A SER 14.A OG ASP 423.A OD2 no hydrogen 2.519 N/A GLU 16.A N ASP 423.A OD2 no hydrogen 2.965 N/A ASP 18.A N TYR 25.A OH no hydrogen 2.887 N/A SER 20.A N ASP 18.A OD1 no hydrogen 2.929 N/A THR 21.A N ASP 18.A O no hydrogen 3.404 N/A THR 21.A OG1 SER 23.A OG no hydrogen 2.799 N/A THR 21.A OG1 ASP 70.A OD1 no hydrogen 3.299 N/A THR 21.A OG1 ASP 70.A OD2 no hydrogen 2.392 N/A LEU 22.A N ASP 70.A OD1 no hydrogen 2.653 N/A SER 23.A N THR 21.A OG1 no hydrogen 3.145 N/A SER 23.A OG THR 21.A OG1 no hydrogen 2.799 N/A ASN 24.A N HIS 68.A O no hydrogen 3.323 N/A ASN 24.A ND2 ASP 27.A OD2 no hydrogen 2.950 N/A ASN 24.A ND2 GLU 66.A O no hydrogen 3.235 N/A LYS 26.A NZ PRO 15.A O no hydrogen 3.221 N/A ASP 27.A N ASN 24.A O no hydrogen 3.203 N/A PHE 28.A N TYR 25.A O no hydrogen 3.210 N/A ALA 29.A N LYS 55.A O no hydrogen 2.822 N/A LEU 31.A N GLN 53.A O no hydrogen 2.825 N/A HIS 32.A ND1 THR 166.A OG1 no hydrogen 2.976 N/A HIS 32.A NE2 THR 168.A OG1 no hydrogen 2.983 N/A THR 33.A N THR 166.A O no hydrogen 3.176 N/A THR 33.A OG1 SER 165.A OG no hydrogen 2.895 N/A ASP 34.A N THR 51.A O no hydrogen 2.856 N/A LEU 35.A N THR 168.A O no hydrogen 2.857 N/A ASN 36.A N SER 49.A O no hydrogen 2.829 N/A LEU 37.A N SER 170.A O no hydrogen 2.906 N/A SER 38.A N SER 47.A O no hydrogen 2.650 N/A VAL 39.A N GLU 172.A O no hydrogen 2.859 N/A SER 40.A N ALA 45.A O no hydrogen 3.097 N/A LYS 43.A N SER 40.A OG no hydrogen 3.036 N/A SER 44.A N PHE 41.A O no hydrogen 3.158 N/A ALA 45.A N SER 40.A O no hydrogen 3.190 N/A ILE 46.A N THR 120.A OG1 no hydrogen 2.642 N/A SER 47.A N SER 38.A O no hydrogen 2.967 N/A GLY 48.A N PHE 118.A O no hydrogen 3.209 N/A SER 49.A N ASN 36.A O no hydrogen 2.875 N/A VAL 50.A N ILE 116.A O no hydrogen 2.914 N/A THR 51.A N ASP 34.A O no hydrogen 2.802 N/A THR 51.A OG1 ASN 115.A OD1 no hydrogen 2.720 N/A PHE 52.A N LEU 114.A O no hydrogen 2.702 N/A GLN 53.A N HIS 32.A O no hydrogen 2.974 N/A LEU 54.A N PHE 112.A O no hydrogen 2.984 N/A LYS 55.A N ALA 29.A O no hydrogen 2.976 N/A LYS 56.A N ASP 110.A O no hydrogen 2.709 N/A LYS 56.A NZ ASP 65.A OD1 no hydrogen 3.125 N/A LYS 56.A NZ ASP 65.A OD2 no hydrogen 3.019 N/A LEU 57.A N ASP 27.A O no hydrogen 2.982 N/A LYS 63.A NZ LYS 61.A O no hydrogen 3.091 N/A HIS 68.A N ASN 24.A OD1 no hydrogen 2.899 N/A LEU 69.A N LEU 101.A O no hydrogen 2.963 N/A ASP 70.A N CYS 157.A O no hydrogen 2.912 N/A THR 71.A N SER 99.A O no hydrogen 3.191 N/A THR 71.A OG1 SER 99.A O no hydrogen 2.656 N/A SER 72.A N ARG 152.A O no hydrogen 2.754 N/A ASP 75.A N ARG 119.A O no hydrogen 2.935 N/A GLN 77.A N GLN 117.A O no hydrogen 2.772 N/A GLU 78.A N GLN 117.A O no hydrogen 3.406 N/A HIS 80.A N ASN 115.A O no hydrogen 2.751 N/A HIS 80.A NE2 GLU 78.A OE1 no hydrogen 2.848 N/A ILE 81.A N SER 84.A O no hydrogen 3.026 N/A ASP 82.A N THR 113.A O no hydrogen 2.905 N/A SER 84.A N ILE 81.A O no hydrogen 3.149 N/A LYS 85.A NZ ASP 87.A OD1 no hydrogen 3.035 N/A ALA 86.A N VAL 79.A O no hydrogen 2.873 N/A GLN 89.A N VAL 102.A O no hydrogen 2.945 N/A GLU 91.A N ARG 100.A O no hydrogen 2.780 N/A ARG 93.A NE GLU 95.A OE2 no hydrogen 2.590 N/A ARG 93.A NH1 SER 72.A OG no hydrogen 2.912 N/A ARG 93.A NH2 GLU 95.A OE1 no hydrogen 3.281 N/A ARG 93.A NH2 GLU 95.A OE2 no hydrogen 2.979 N/A LYS 94.A N GLY 98.A O no hydrogen 3.037 N/A GLY 98.A N LYS 94.A O no hydrogen 3.056 N/A SER 99.A N THR 71.A O no hydrogen 2.687 N/A ARG 100.A NE LEU 22.A O no hydrogen 2.679 N/A LEU 101.A N LEU 69.A O no hydrogen 2.900 N/A VAL 102.A N GLN 89.A O no hydrogen 2.781 N/A ILE 103.A N LEU 67.A O no hydrogen 3.071 N/A ASN 104.A N ASP 87.A O no hydrogen 3.005 N/A SER 107.A N ASN 105.A OD1 no hydrogen 3.255 N/A PHE 112.A N LEU 54.A O no hydrogen 3.085 N/A THR 113.A N ASP 82.A OD1 no hydrogen 3.062 N/A LEU 114.A N PHE 52.A O no hydrogen 2.720 N/A ASN 115.A N HIS 80.A O no hydrogen 2.679 N/A ILE 116.A N VAL 50.A O no hydrogen 2.907 N/A GLN 117.A N GLU 78.A O no hydrogen 2.891 N/A PHE 118.A N GLY 48.A O no hydrogen 2.927 N/A ARG 119.A N ASP 75.A O no hydrogen 2.919 N/A THR 120.A N ILE 46.A O no hydrogen 2.902 N/A THR 120.A OG1 ILE 46.A O no hydrogen 3.221 N/A THR 121.A OG1 TYR 73.A O no hydrogen 3.209 N/A CYS 124.A N THR 121.A O no hydrogen 3.049 N/A CYS 124.A SG SER 153.A O no hydrogen 3.414 N/A THR 125.A N SER 153.A OG no hydrogen 2.943 N/A GLN 128.A N PHE 143.A O no hydrogen 2.913 N/A LEU 130.A N TYR 141.A O no hydrogen 2.952 N/A ASN 131.A N GLN 134.A OE1 no hydrogen 2.768 N/A LYS 133.A N ASN 131.A OD1 no hydrogen 3.018 N/A GLN 134.A N ASN 131.A O no hydrogen 2.835 N/A THR 135.A OG1 LYS 139.A O no hydrogen 2.536 N/A GLY 137.A N GLU 224.A OE2 no hydrogen 2.863 N/A GLY 138.A N THR 135.A OG1 no hydrogen 3.347 N/A TYR 141.A N LEU 130.A O no hydrogen 3.227 N/A TYR 141.A OH ASN 263.A OD1 no hydrogen 2.340 N/A VAL 142.A N SER 207.A O no hydrogen 2.923 N/A PHE 143.A N GLN 128.A O no hydrogen 3.121 N/A SER 144.A N ILE 205.A O no hydrogen 2.896 N/A GLN 145.A N ALA 126.A O no hydrogen 2.907 N/A GLN 145.A NE2 GLU 147.A O no hydrogen 3.389 N/A HIS 150.A N LEU 146.A O no hydrogen 2.862 N/A ARG 152.A N ASP 159.A OD2 no hydrogen 2.772 N/A ARG 152.A NE ASP 159.A OD2 no hydrogen 2.766 N/A ARG 152.A NH1 SER 20.A O no hydrogen 3.118 N/A ARG 152.A NH1 LEU 97.A O no hydrogen 2.755 N/A ARG 152.A NH2 SER 20.A O no hydrogen 2.725 N/A ARG 152.A NH2 ASP 159.A O no hydrogen 2.908 N/A SER 153.A N HIS 150.A O no hydrogen 2.732 N/A SER 153.A OG SER 72.A O no hydrogen 2.911 N/A LEU 154.A N ALA 151.A O no hydrogen 2.819 N/A PHE 155.A N ALA 151.A O no hydrogen 2.975 N/A CYS 157.A N ASP 70.A O no hydrogen 3.367 N/A CYS 157.A SG PHE 155.A O no hydrogen 3.484 N/A ASP 159.A N ASP 70.A OD2 no hydrogen 3.058 N/A THR 160.A N PHE 158.A O no hydrogen 2.891 N/A THR 160.A OG1 ASP 18.A OD2 no hydrogen 2.637 N/A SER 162.A N THR 160.A OG1 no hydrogen 3.147 N/A SER 162.A OG CYS 311.A O no hydrogen 2.716 N/A VAL 163.A N THR 160.A O no hydrogen 3.006 N/A LYS 164.A NZ ASN 306.A O no hydrogen 3.509 N/A LYS 164.A NZ LEU 307.A O no hydrogen 2.981 N/A LYS 164.A NZ THR 309.A OG1 no hydrogen 2.638 N/A LYS 164.A NZ LYS 420.A O no hydrogen 2.895 N/A SER 165.A N ILE 198.A O no hydrogen 2.894 N/A SER 165.A OG THR 33.A OG1 no hydrogen 2.895 N/A SER 165.A OG THR 166.A O no hydrogen 2.765 N/A THR 166.A OG1 LEU 31.A O no hydrogen 3.433 N/A THR 166.A OG1 HIS 32.A ND1 no hydrogen 2.976 N/A PHE 167.A N GLN 194.A O no hydrogen 2.941 N/A THR 168.A N THR 33.A O no hydrogen 3.033 N/A THR 168.A OG1 HIS 32.A NE2 no hydrogen 2.983 N/A THR 168.A OG1 ASP 34.A OD1 no hydrogen 2.397 N/A ALA 169.A N PHE 192.A O no hydrogen 2.947 N/A SER 170.A N LEU 35.A O no hydrogen 2.936 N/A ILE 171.A N TYR 190.A O no hydrogen 2.820 N/A GLU 172.A N LEU 37.A O no hydrogen 2.931 N/A SER 173.A N ASN 188.A O no hydrogen 3.120 N/A SER 173.A OG LEU 175.A O no hydrogen 2.922 N/A SER 173.A OG SER 207.A OG no hydrogen 2.589 N/A VAL 178.A N ALA 206.A O no hydrogen 2.861 N/A SER 180.A N GLY 204.A O no hydrogen 2.968 N/A GLY 181.A N PHE 179.A O no hydrogen 2.719 N/A ILE 182.A N GLU 193.A O no hydrogen 2.913 N/A ILE 184.A N ARG 191.A O no hydrogen 2.771 N/A ASN 188.A N ASP 186.A OD1 no hydrogen 2.570 N/A ILE 189.A N ASP 186.A O no hydrogen 3.464 N/A TYR 190.A N ILE 171.A O no hydrogen 2.639 N/A PHE 192.A N ALA 169.A O no hydrogen 2.781 N/A GLU 193.A N ILE 182.A O no hydrogen 3.008 N/A GLN 194.A N PHE 167.A O no hydrogen 2.929 N/A GLN 194.A NE2 SER 180.A O no hydrogen 3.075 N/A GLN 194.A NE2 ASN 276.A OD1 no hydrogen 2.876 N/A VAL 196.A N GLN 194.A OE1 no hydrogen 3.453 N/A ILE 198.A N SER 165.A O no hydrogen 2.786 N/A LEU 202.A N PRO 199.A O no hydrogen 3.021 N/A ILE 203.A N ALA 200.A O no hydrogen 2.895 N/A GLY 204.A N SER 180.A OG no hydrogen 2.968 N/A ILE 205.A N SER 144.A OG no hydrogen 2.802 N/A ALA 206.A N VAL 178.A O no hydrogen 2.957 N/A SER 207.A N VAL 142.A O no hydrogen 2.956 N/A SER 207.A OG SER 173.A OG no hydrogen 2.589 N/A SER 207.A OG LEU 175.A O no hydrogen 3.277 N/A SER 207.A OG PRO 176.A O no hydrogen 2.956 N/A GLY 208.A N PRO 176.A O no hydrogen 3.138 N/A SER 211.A N THR 223.A O no hydrogen 2.784 N/A ALA 213.A N VAL 221.A O no hydrogen 2.984 N/A ILE 215.A N SER 219.A O no hydrogen 2.932 N/A ARG 218.A NE GLU 240.A OE1 no hydrogen 3.115 N/A ARG 218.A NE GLU 240.A OE2 no hydrogen 3.107 N/A ARG 218.A NH1 GLU 247.A OE2 no hydrogen 3.018 N/A ARG 218.A NH2 GLU 240.A OE2 no hydrogen 3.083 N/A ARG 218.A NH2 GLU 247.A OE1 no hydrogen 3.018 N/A ARG 218.A NH2 GLU 247.A OE2 no hydrogen 3.330 N/A SER 219.A N GLY 216.A O no hydrogen 3.232 N/A SER 219.A OG TYR 258.A O no hydrogen 3.020 N/A THR 220.A N ASP 259.A OD1 no hydrogen 2.895 N/A VAL 221.A N ALA 213.A O no hydrogen 2.738 N/A TYR 222.A N ILE 260.A O no hydrogen 2.918 N/A THR 223.A N SER 211.A O no hydrogen 3.053 N/A THR 223.A OG1 VAL 262.A O no hydrogen 2.877 N/A ARG 227.A N GLU 224.A O no hydrogen 2.935 N/A ARG 227.A NH1 ASP 265.A OD1 no hydrogen 3.271 N/A ARG 227.A NH2 ASP 265.A OD2 no hydrogen 2.479 N/A LEU 228.A N GLU 224.A O no hydrogen 3.008 N/A LEU 228.A N PRO 225.A O no hydrogen 3.227 N/A CYS 231.A N ARG 227.A O no hydrogen 2.959 N/A CYS 231.A SG ARG 227.A O no hydrogen 3.659 N/A GLN 232.A N LEU 228.A O no hydrogen 2.846 N/A GLN 232.A NE2 PRO 214.A O no hydrogen 2.865 N/A TRP 233.A N LYS 229.A O no hydrogen 3.469 N/A GLU 234.A N ASP 230.A O no hydrogen 3.221 N/A PHE 235.A N CYS 231.A O no hydrogen 3.370 N/A GLU 236.A N GLN 232.A O no hydrogen 2.943 N/A ASP 238.A N PHE 235.A O no hydrogen 3.136 N/A VAL 239.A N PHE 235.A O no hydrogen 3.259 N/A LYS 241.A NZ ASP 238.A OD1 no hydrogen 3.206 N/A PHE 242.A N ASP 238.A O no hydrogen 2.834 N/A ILE 243.A N VAL 239.A O no hydrogen 2.952 N/A GLN 244.A N GLU 240.A O no hydrogen 2.859 N/A GLN 244.A NE2 GLU 240.A OE2 no hydrogen 3.023 N/A THR 245.A N LYS 241.A O no hydrogen 2.893 N/A THR 245.A OG1 LYS 241.A O no hydrogen 2.676 N/A ALA 246.A N PHE 242.A O no hydrogen 3.048 N/A GLU 247.A N ILE 243.A O no hydrogen 3.037 N/A LYS 248.A N GLN 244.A O no hydrogen 3.033 N/A ILE 249.A N THR 245.A O no hydrogen 3.399 N/A ILE 250.A N ALA 246.A O no hydrogen 2.855 N/A TYR 253.A N GLU 247.A OE2 no hydrogen 2.880 N/A TYR 253.A OH THR 257.A O no hydrogen 2.919 N/A THR 257.A N TRP 255.A O no hydrogen 3.024 N/A TYR 258.A N ARG 218.A O no hydrogen 2.883 N/A TYR 258.A OH THR 278.A OG1 no hydrogen 2.956 N/A ILE 260.A N THR 220.A O no hydrogen 3.144 N/A LEU 261.A N THR 278.A O no hydrogen 2.675 N/A VAL 262.A N TYR 222.A O no hydrogen 2.813 N/A ASN 263.A N ALA 280.A O no hydrogen 3.021 N/A ASN 263.A ND2 ALA 280.A O no hydrogen 3.152 N/A SER 266.A OG GLN 134.A O no hydrogen 2.735 N/A TYR 267.A N VAL 264.A O no hydrogen 2.945 N/A MET 272.A N PHE 279.A O no hydrogen 2.995 N/A GLU 273.A N GLU 273.A OE1 no hydrogen 2.966 N/A SER 274.A OG LEU 202.A O no hydrogen 3.022 N/A ASN 276.A ND2 TRP 255.A O no hydrogen 2.967 N/A ASN 276.A ND2 THR 257.A O no hydrogen 2.713 N/A ASN 276.A ND2 THR 257.A OG1 no hydrogen 3.430 N/A MET 277.A N SER 274.A O no hydrogen 3.079 N/A THR 278.A N ASP 259.A O no hydrogen 2.904 N/A THR 278.A OG1 TYR 258.A OH no hydrogen 2.956 N/A PHE 279.A N MET 272.A O no hydrogen 2.809 N/A ALA 280.A N LEU 261.A O no hydrogen 2.791 N/A LEU 284.A N THR 281.A O no hydrogen 3.202 N/A ILE 285.A N PRO 282.A O no hydrogen 3.174 N/A ALA 286.A N GLU 234.A OE2 no hydrogen 2.975 N/A HIS 287.A N GLU 234.A OE2 no hydrogen 3.013 N/A ARG 289.A N GLU 234.A OE2 no hydrogen 3.146 N/A ARG 289.A NE TRP 233.A O no hydrogen 3.127 N/A ARG 289.A NH2 TRP 233.A O no hydrogen 2.550 N/A SER 290.A N ASP 288.A OD1 no hydrogen 2.804 N/A SER 290.A OG ASP 288.A OD1 no hydrogen 2.686 N/A SER 290.A OG ASP 288.A OD2 no hydrogen 3.565 N/A ASN 291.A ND2 THR 283.A O no hydrogen 3.367 N/A ILE 295.A N ILE 292.A O no hydrogen 2.613 N/A ALA 296.A N ASP 293.A O no hydrogen 3.252 N/A HIS 297.A N VAL 294.A O no hydrogen 3.022 N/A HIS 297.A ND1 GLU 327.A OE1 no hydrogen 2.940 N/A HIS 297.A NE2 GLU 320.A OE1 no hydrogen 3.105 N/A LEU 299.A N ILE 295.A O no hydrogen 3.157 N/A ALA 300.A N ALA 296.A O no hydrogen 2.829 N/A HIS 301.A N HIS 297.A O no hydrogen 3.200 N/A HIS 301.A ND1 SER 304.A O no hydrogen 2.945 N/A SER 302.A N LEU 299.A O no hydrogen 2.829 N/A TRP 303.A N ALA 300.A O no hydrogen 2.758 N/A SER 304.A N ALA 300.A O no hydrogen 3.186 N/A SER 304.A OG ALA 300.A O no hydrogen 3.518 N/A SER 304.A OG THR 323.A OG1 no hydrogen 3.023 N/A GLY 305.A N VAL 308.A O no hydrogen 2.907 N/A ASN 306.A N HIS 301.A O no hydrogen 2.963 N/A ASN 306.A ND2 GLU 273.A O no hydrogen 2.994 N/A LEU 307.A N SER 302.A O no hydrogen 3.191 N/A VAL 308.A N TRP 303.A O no hydrogen 3.029 N/A THR 309.A N LYS 420.A O no hydrogen 3.146 N/A THR 309.A OG1 GLY 305.A O no hydrogen 2.746 N/A ASN 310.A ND2 SER 312.A O no hydrogen 3.019 N/A CYS 311.A N LEU 422.A O no hydrogen 2.901 N/A CYS 311.A SG GLU 16.A O no hydrogen 3.450 N/A CYS 311.A SG LEU 422.A O no hydrogen 3.634 N/A ASN 314.A N SER 312.A OG no hydrogen 3.145 N/A ASN 314.A ND2 GLU 16.A OE1 no hydrogen 3.273 N/A HIS 315.A N SER 312.A O no hydrogen 3.334 N/A HIS 315.A ND1 THR 424.A OG1 no hydrogen 2.851 N/A HIS 315.A NE2 GLU 16.A OE1 no hydrogen 2.899 N/A TRP 317.A NE1 THR 424.A OG1 no hydrogen 2.952 N/A LEU 318.A N HIS 315.A O no hydrogen 3.059 N/A ASN 319.A N PHE 316.A O no hydrogen 2.877 N/A ASN 319.A ND2 TYR 201.A OH no hydrogen 3.189 N/A ASN 319.A ND2 ASN 310.A OD1 no hydrogen 2.362 N/A GLU 320.A N PHE 316.A O no hydrogen 3.109 N/A THR 323.A N ASN 319.A O no hydrogen 3.085 N/A THR 323.A OG1 SER 304.A OG no hydrogen 3.023 N/A THR 323.A OG1 ASN 319.A O no hydrogen 2.899 N/A VAL 324.A N GLU 320.A O no hydrogen 2.819 N/A TYR 325.A N GLY 321.A O no hydrogen 3.327 N/A TYR 325.A OH GLU 397.A OE1 no hydrogen 2.581 N/A LEU 326.A N TRP 322.A O no hydrogen 2.834 N/A GLU 327.A N THR 323.A O no hydrogen 2.723 N/A ARG 328.A N VAL 324.A O no hydrogen 2.888 N/A ARG 328.A NH1 GLU 387.A OE1 no hydrogen 3.021 N/A ARG 328.A NH2 GLU 387.A OE1 no hydrogen 3.184 N/A ARG 328.A NH2 GLU 387.A OE2 no hydrogen 2.951 N/A ARG 329.A N TYR 325.A O no hydrogen 2.876 N/A ARG 329.A NH1 TYR 325.A OH no hydrogen 2.956 N/A ARG 329.A NH1 ASP 407.A OD1 no hydrogen 2.877 N/A ARG 329.A NH2 ASP 407.A OD1 no hydrogen 3.165 N/A ARG 329.A NH2 ASP 407.A OD2 no hydrogen 3.353 N/A ILE 330.A N LEU 326.A O no hydrogen 2.868 N/A ILE 330.A N GLU 327.A O no hydrogen 3.030 N/A ILE 331.A N GLU 327.A O no hydrogen 3.100 N/A GLY 332.A N ARG 328.A O no hydrogen 3.040 N/A ALA 333.A N ARG 329.A O no hydrogen 3.036 N/A ILE 334.A N ILE 330.A O no hydrogen 3.213 N/A HIS 335.A N ILE 331.A O no hydrogen 2.895 N/A HIS 335.A NE2 ASP 293.A OD1 no hydrogen 2.912 N/A GLY 336.A N GLY 332.A O no hydrogen 2.742 N/A ARG 340.A NE GLU 337.A OE1 no hydrogen 3.187 N/A ARG 340.A NE GLU 337.A OE2 no hydrogen 3.341 N/A ARG 340.A NH1 GLU 397.A OE1 no hydrogen 3.112 N/A ARG 340.A NH2 GLU 337.A OE2 no hydrogen 2.751 N/A ARG 340.A NH2 GLU 397.A OE1 no hydrogen 3.552 N/A ARG 340.A NH2 GLU 397.A OE2 no hydrogen 2.710 N/A HIS 341.A N GLU 337.A O no hydrogen 2.967 N/A HIS 341.A NE2 GLU 337.A OE2 no hydrogen 2.935 N/A PHE 342.A N PRO 338.A O no hydrogen 2.971 N/A SER 343.A N THR 339.A O no hydrogen 3.248 N/A SER 343.A OG THR 339.A O no hydrogen 3.553 N/A ALA 344.A N ARG 340.A O no hydrogen 3.028 N/A LEU 345.A N HIS 341.A O no hydrogen 2.850 N/A ILE 346.A N PHE 342.A O no hydrogen 3.069 N/A GLY 347.A N SER 343.A O no hydrogen 2.796 N/A TRP 348.A N ALA 344.A O no hydrogen 2.830 N/A SER 349.A N LEU 345.A O no hydrogen 3.157 N/A ASP 350.A N ILE 346.A O no hydrogen 2.994 N/A LEU 351.A N GLY 347.A O no hydrogen 2.840 N/A GLN 352.A N TRP 348.A O no hydrogen 2.942 N/A GLN 352.A NE2 GLN 352.A O no hydrogen 3.461 N/A GLN 352.A NE2 ASP 356.A OD1 no hydrogen 3.288 N/A GLN 352.A NE2 ASP 356.A OD2 no hydrogen 3.457 N/A ASN 353.A N SER 349.A O no hydrogen 2.859 N/A SER 354.A N ASP 350.A O no hydrogen 2.824 N/A ILE 355.A N LEU 351.A O no hydrogen 3.042 N/A ASP 356.A N GLN 352.A O no hydrogen 3.083 N/A SER 357.A N SER 354.A O no hydrogen 3.135 N/A SER 357.A OG ASN 353.A O no hydrogen 2.924 N/A ARG 363.A NH1 ASN 370.A O no hydrogen 3.037 N/A ARG 363.A NH1 THR 375.A OG1 no hydrogen 2.819 N/A PHE 364.A N ASP 360.A O no hydrogen 3.221 N/A SER 365.A N PRO 361.A O no hydrogen 3.055 N/A SER 365.A OG PRO 361.A O no hydrogen 2.826 N/A THR 366.A OG1 ARG 363.A O no hydrogen 3.128 N/A THR 366.A OG1 VAL 368.A O no hydrogen 3.101 N/A VAL 368.A N LEU 451.A O no hydrogen 2.965 N/A GLN 369.A N ASN 314.A O no hydrogen 2.739 N/A GLN 369.A NE2 ARG 363.A O no hydrogen 3.067 N/A GLN 369.A NE2 THR 366.A O no hydrogen 3.114 N/A ASN 370.A N GLN 369.A OE1 no hydrogen 3.351 N/A LEU 371.A N ASN 314.A OD1 no hydrogen 2.869 N/A THR 375.A OG1 LEU 371.A O no hydrogen 2.791 N/A THR 375.A OG1 ASN 374.A OD1 no hydrogen 3.480 N/A ASP 378.A N ASP 376.A OD1 no hydrogen 3.091 N/A ASP 379.A N ASP 376.A O no hydrogen 2.795 N/A ALA 380.A N PRO 377.A O no hydrogen 2.939 N/A PHE 381.A N ASP 378.A O no hydrogen 3.376 N/A THR 383.A N SER 354.A OG no hydrogen 3.223 N/A VAL 384.A N SER 382.A OG no hydrogen 3.181 N/A GLU 387.A N THR 383.A O no hydrogen 2.776 N/A LYS 388.A N VAL 384.A O no hydrogen 2.841 N/A LYS 388.A NZ SER 365.A O no hydrogen 2.797 N/A LYS 388.A NZ GLY 455.A O no hydrogen 2.784 N/A GLY 389.A N VAL 384.A O no hydrogen 3.405 N/A PHE 390.A N TYR 386.A O no hydrogen 3.018 N/A ASN 391.A N GLU 387.A O no hydrogen 2.802 N/A ASN 391.A ND2 GLU 387.A O no hydrogen 2.948 N/A LEU 392.A N LYS 388.A O no hydrogen 3.130 N/A LEU 393.A N GLY 389.A O no hydrogen 3.269 N/A PHE 394.A N PHE 390.A O no hydrogen 2.840 N/A HIS 395.A N ASN 391.A O no hydrogen 2.803 N/A LEU 396.A N LEU 392.A O no hydrogen 2.749 N/A GLU 397.A N LEU 393.A O no hydrogen 2.950 N/A THR 398.A N PHE 394.A O no hydrogen 2.948 N/A THR 398.A OG1 PHE 394.A O no hydrogen 3.214 N/A ILE 399.A N HIS 395.A O no hydrogen 3.010 N/A LEU 400.A N LEU 396.A O no hydrogen 3.105 N/A GLY 401.A N THR 398.A O no hydrogen 3.210 N/A GLY 402.A N GLU 397.A O no hydrogen 2.667 N/A LYS 403.A NZ GLU 337.A OE1 no hydrogen 3.267 N/A LYS 403.A NZ GLU 337.A OE2 no hydrogen 3.521 N/A GLU 405.A N GLY 402.A O no hydrogen 3.057 N/A PHE 406.A N GLY 402.A O no hydrogen 2.786 N/A ASP 407.A N LYS 403.A O no hydrogen 2.745 N/A PHE 409.A N PHE 406.A O no hydrogen 2.746 N/A ILE 410.A N PHE 406.A O no hydrogen 3.196 N/A ARG 411.A N ASP 407.A O no hydrogen 3.116 N/A ARG 411.A NE ILE 249.A O no hydrogen 3.161 N/A ARG 411.A NE ILE 250.A O no hydrogen 3.104 N/A HIS 412.A N PRO 408.A O no hydrogen 3.215 N/A TYR 413.A N PHE 409.A O no hydrogen 2.887 N/A PHE 414.A N ILE 410.A O no hydrogen 3.188 N/A LYS 415.A N ARG 411.A O no hydrogen 3.015 N/A LYS 416.A N HIS 412.A O no hydrogen 2.811 N/A LYS 416.A NZ THR 430.A OG1 no hydrogen 2.796 N/A PHE 417.A N TYR 413.A O no hydrogen 3.190 N/A ALA 418.A N LYS 415.A O no hydrogen 3.452 N/A LYS 419.A N LEU 307.A O no hydrogen 2.802 N/A LYS 420.A N PHE 417.A O no hydrogen 2.999 N/A SER 421.A OG PRO 161.A O no hydrogen 2.899 N/A LEU 422.A N THR 309.A O no hydrogen 2.876 N/A ASP 423.A N GLN 426.A OE1 no hydrogen 2.917 N/A THR 424.A N HIS 315.A ND1 no hydrogen 3.279 N/A THR 424.A OG1 HIS 315.A ND1 no hydrogen 2.851 N/A GLN 426.A N ASP 423.A OD1 no hydrogen 2.834 N/A PHE 427.A N ASP 423.A O no hydrogen 3.203 N/A LEU 428.A N THR 424.A O no hydrogen 2.968 N/A ASP 429.A N PHE 425.A O no hydrogen 3.094 N/A THR 430.A N GLN 426.A O no hydrogen 3.134 N/A THR 430.A OG1 GLN 426.A O no hydrogen 2.954 N/A LEU 431.A N PHE 427.A O no hydrogen 3.042 N/A TYR 432.A N LEU 428.A O no hydrogen 2.814 N/A TYR 432.A OH ASP 443.A OD1 no hydrogen 2.711 N/A GLU 433.A N ASP 429.A O no hydrogen 2.714 N/A PHE 434.A N THR 430.A O no hydrogen 3.092 N/A PHE 434.A N LEU 431.A O no hydrogen 3.056 N/A TYR 435.A N LEU 431.A O no hydrogen 3.221 N/A TYR 435.A N TYR 432.A O no hydrogen 3.121 N/A TYR 435.A OH GLU 405.A O no hydrogen 2.650 N/A GLU 437.A N GLU 437.A OE1 no hydrogen 2.678 N/A LYS 438.A N TYR 435.A O no hydrogen 3.209 N/A LYS 438.A NZ LEU 400.A O no hydrogen 2.943 N/A LYS 439.A NZ ASP 443.A OD2 no hydrogen 3.175 N/A LEU 442.A N LYS 438.A O no hydrogen 2.906 N/A ASP 443.A N LYS 439.A O no hydrogen 2.949 N/A SER 444.A N ILE 441.A O no hydrogen 3.273 N/A SER 444.A OG ILE 441.A O no hydrogen 2.768 N/A VAL 445.A N LEU 442.A O no hydrogen 2.943 N/A THR 449.A N ASP 446.A OD1 no hydrogen 3.388 N/A THR 449.A OG1 ASP 446.A OD2 no hydrogen 2.569 N/A TRP 450.A N ASP 446.A O no hydrogen 3.130 N/A LEU 451.A N TRP 447.A O no hydrogen 2.940 N/A TYR 452.A N GLU 448.A O no hydrogen 2.997 N/A LYS 453.A N THR 449.A O no hydrogen 3.387 N/A GLY 455.A N SER 365.A OG no hydrogen 2.704 N/A ILE 463.A N HIS 341.A ND1 no hydrogen 2.947 N/A THR 464.A OG1 ASP 468.A OD2 no hydrogen 2.746 N/A ASP 468.A N THR 464.A O no hydrogen 2.953 N/A ASN 469.A N ALA 465.A O no hydrogen 3.130 N/A TYR 471.A N ALA 467.A O no hydrogen 2.885 N/A GLN 472.A N ASP 468.A O no hydrogen 2.839 N/A LEU 473.A N ASN 469.A O no hydrogen 3.497 N/A ALA 474.A N VAL 470.A O no hydrogen 3.010 N/A ASP 475.A N TYR 471.A O no hydrogen 2.885 N/A LYS 476.A N GLN 472.A O no hydrogen 3.010 N/A LYS 476.A NZ GLU 493.A OE1 no hydrogen 2.982 N/A TRP 477.A N LEU 473.A O no hydrogen 3.037 N/A TRP 477.A NE1 TYR 543.A OH no hydrogen 2.936 N/A VAL 478.A N ALA 474.A O no hydrogen 3.026 N/A GLU 479.A N ASP 475.A O no hydrogen 2.833 N/A MET 480.A N LYS 476.A O no hydrogen 2.830 N/A ALA 481.A N TRP 477.A O no hydrogen 2.836 N/A HIS 483.A N MET 480.A O no hydrogen 3.130 N/A LEU 484.A N MET 480.A O no hydrogen 3.009 N/A THR 486.A N ASP 489.A OD2 no hydrogen 3.246 N/A PHE 490.A N THR 486.A O no hydrogen 3.147 N/A PHE 490.A N THR 487.A O no hydrogen 3.054 N/A ARG 491.A N THR 487.A O no hydrogen 3.152 N/A ARG 491.A NH2 ASP 541.A OD2 no hydrogen 2.893 N/A SER 492.A N ASP 489.A O no hydrogen 3.176 N/A SER 492.A OG GLU 488.A O no hydrogen 2.923 N/A GLU 493.A N ASP 489.A O no hydrogen 3.233 N/A PHE 494.A N PHE 490.A O no hydrogen 2.828 N/A ASN 495.A N ASP 498.A OD2 no hydrogen 2.931 N/A ILE 497.A N ASN 495.A OD1 no hydrogen 3.100 N/A ASP 498.A N ASN 495.A O no hydrogen 2.946 N/A ILE 499.A N ALA 496.A O no hydrogen 3.348 N/A LYS 500.A N ILE 497.A O no hydrogen 3.467 N/A LYS 500.A NZ ASP 501.A OD1 no hydrogen 3.410 N/A PHE 502.A N ILE 499.A O no hydrogen 2.988 N/A ASN 503.A N GLN 506.A OE1 no hydrogen 3.090 N/A SER 504.A OG SER 290.A O no hydrogen 2.805 N/A GLN 506.A N ASN 503.A OD1 no hydrogen 2.713 N/A GLN 506.A NE2 LEU 466.A O no hydrogen 2.730 N/A LEU 507.A N ASN 503.A O no hydrogen 3.067 N/A VAL 508.A N SER 504.A O no hydrogen 2.942 N/A LEU 509.A N ASN 505.A O no hydrogen 2.929 N/A PHE 510.A N GLN 506.A O no hydrogen 2.870 N/A LEU 511.A N LEU 507.A O no hydrogen 2.939 N/A GLU 512.A N VAL 508.A O no hydrogen 3.057 N/A THR 513.A N LEU 509.A O no hydrogen 2.896 N/A THR 513.A OG1 LEU 509.A O no hydrogen 2.473 N/A LEU 514.A N PHE 510.A O no hydrogen 3.013 N/A THR 515.A N LEU 511.A O no hydrogen 3.198 N/A THR 515.A OG1 GLU 512.A O no hydrogen 2.823 N/A GLN 516.A N GLU 512.A O no hydrogen 3.269 N/A GLN 516.A N THR 513.A O no hydrogen 3.011 N/A GLN 516.A NE2 GLU 512.A OE2 no hydrogen 2.532 N/A ASN 517.A N LEU 514.A O no hydrogen 2.761 N/A ASN 517.A ND2 PHE 527.A O no hydrogen 3.057 N/A GLY 518.A N THR 513.A O no hydrogen 3.096 N/A HIS 519.A N ASP 475.A OD1 no hydrogen 2.739 N/A SER 520.A N ASP 475.A OD1 no hydrogen 3.489 N/A SER 520.A OG ASP 475.A OD2 no hydrogen 3.009 N/A LYS 523.A NZ GLY 518.A O no hydrogen 2.660 N/A TRP 529.A NE1 LEU 514.A O no hydrogen 2.941 N/A ALA 530.A N ASP 528.A OD1 no hydrogen 2.998 N/A LYS 531.A N ASP 528.A O no hydrogen 2.811 N/A PHE 532.A N TRP 529.A O no hydrogen 2.830 N/A SER 536.A N PHE 532.A O no hydrogen 3.054 N/A ARG 537.A N PRO 533.A O no hydrogen 3.096 N/A ARG 537.A NE GLU 570.A OE2 no hydrogen 2.993 N/A ARG 537.A NH2 GLU 570.A OE2 no hydrogen 2.981 N/A ALA 538.A N VAL 534.A O no hydrogen 3.191 N/A ALA 538.A N ALA 535.A O no hydrogen 3.176 N/A LEU 539.A N ALA 535.A O no hydrogen 3.058 N/A LEU 540.A N SER 536.A O no hydrogen 3.292 N/A ASP 541.A N ARG 537.A O no hydrogen 3.123 N/A ILE 542.A N ALA 538.A O no hydrogen 2.803 N/A TYR 543.A N LEU 539.A O no hydrogen 3.082 N/A TYR 543.A OH ASP 498.A OD2 no hydrogen 2.709 N/A GLN 544.A N ASP 541.A O no hydrogen 3.179 N/A GLN 544.A NE2 ASP 545.A OD1 no hydrogen 3.414 N/A ILE 547.A N TYR 543.A O no hydrogen 3.139 N/A LYS 549.A N GLN 544.A O no hydrogen 2.853 N/A SER 550.A N ILE 547.A O no hydrogen 3.253 N/A ASN 552.A N SER 550.A OG no hydrogen 3.107 N/A ASN 552.A ND2 SER 290.A OG no hydrogen 2.741 N/A GLU 554.A N ASN 552.A OD1 no hydrogen 2.844 N/A VAL 555.A N ASN 552.A O no hydrogen 3.129 N/A VAL 556.A N ASN 552.A O no hydrogen 2.873 N/A PHE 557.A N ALA 553.A O no hydrogen 2.975 N/A LYS 558.A N GLU 554.A O no hydrogen 3.442 N/A LYS 558.A NZ GLU 512.A OE1 no hydrogen 2.733 N/A MET 559.A N VAL 555.A O no hydrogen 2.880 N/A PHE 560.A N VAL 556.A O no hydrogen 3.053 N/A LYS 561.A N PHE 557.A O no hydrogen 2.922 N/A LYS 561.A NZ GLU 512.A OE1 no hydrogen 2.930 N/A PHE 562.A N LYS 558.A O no hydrogen 2.816 N/A GLN 563.A N MET 559.A O no hydrogen 2.945 N/A ILE 564.A N PHE 560.A O no hydrogen 2.852 N/A PHE 565.A N LYS 561.A O no hydrogen 3.110 N/A ALA 566.A N PHE 562.A O no hydrogen 2.821 N/A LYS 567.A N ILE 564.A O no hydrogen 3.168 N/A LEU 568.A N GLN 563.A O no hydrogen 3.036 N/A GLU 570.A N GLU 570.A OE1 no hydrogen 2.413 N/A GLU 571.A N LEU 568.A O no hydrogen 2.822 N/A LYS 573.A NZ GLU 570.A O no hydrogen 3.484 N/A HIS 574.A N GLU 571.A O no hydrogen 2.778 N/A HIS 574.A ND1 GLU 571.A OE1 no hydrogen 3.228 N/A LEU 575.A N GLU 571.A O no hydrogen 3.153 N/A ALA 576.A N TYR 572.A O no hydrogen 2.994 N/A ASP 577.A N LYS 573.A O no hydrogen 2.826 N/A TRP 578.A N HIS 574.A O no hydrogen 3.001 N/A LEU 579.A N LEU 575.A O no hydrogen 3.079 N/A GLY 580.A N ASP 577.A O no hydrogen 3.170 N/A THR 581.A N TRP 578.A O no hydrogen 2.785 N/A THR 581.A OG1 TRP 578.A O no hydrogen 2.855 N/A MET 585.A N PRO 268.A O no hydrogen 3.079 N/A LYS 586.A NZ GLU 554.A OE1 no hydrogen 3.151 N/A PHE 587.A N ARG 584.A O no hydrogen 2.878 N/A VAL 588.A N ARG 584.A O no hydrogen 2.829 N/A ARG 589.A N MET 585.A O no hydrogen 3.082 N/A ARG 589.A NE ASP 625.A OD2 no hydrogen 2.866 N/A ARG 589.A NH2 ASP 625.A OD1 no hydrogen 3.223 N/A GLY 591.A N PHE 587.A O no hydrogen 2.807 N/A TYR 592.A N VAL 588.A O no hydrogen 3.131 N/A TYR 592.A OH TYR 614.A OH no hydrogen 2.770 N/A ARG 593.A N ARG 589.A O no hydrogen 3.365 N/A LEU 594.A N PRO 590.A O no hydrogen 2.907 N/A LEU 595.A N GLY 591.A O no hydrogen 3.198 N/A ASN 596.A N TYR 592.A O no hydrogen 2.810 N/A SER 597.A N ARG 593.A O no hydrogen 3.172 N/A SER 597.A N LEU 594.A O no hydrogen 2.812 N/A SER 597.A OG LEU 594.A O no hydrogen 2.572 N/A VAL 598.A N LEU 595.A O no hydrogen 2.936 N/A ASP 599.A N LEU 595.A O no hydrogen 3.043 N/A ARG 600.A NH2 LEU 626.A O no hydrogen 2.797 N/A LEU 602.A N ASP 599.A OD1 no hydrogen 3.477 N/A ALA 603.A N ASP 599.A O no hydrogen 3.000 N/A LEU 604.A N ARG 600.A O no hydrogen 2.915 N/A ALA 605.A N ARG 601.A O no hydrogen 3.031 N/A THR 606.A N LEU 602.A O no hydrogen 2.879 N/A THR 606.A OG1 LEU 602.A O no hydrogen 2.606 N/A PHE 607.A N ALA 603.A O no hydrogen 2.874 N/A ASP 608.A N LEU 604.A O no hydrogen 3.121 N/A LYS 609.A N ALA 605.A O no hydrogen 2.976 N/A PHE 610.A N THR 606.A O no hydrogen 3.132 N/A PHE 610.A N PHE 607.A O no hydrogen 3.054 N/A LYS 611.A N PHE 607.A O no hydrogen 2.637 N/A LYS 611.A NZ ASP 608.A O no hydrogen 3.273 N/A THR 613.A N PHE 610.A O no hydrogen 2.764 N/A THR 613.A OG1 PHE 610.A O no hydrogen 2.458 N/A TYR 614.A OH LEU 579.A O no hydrogen 2.397 N/A TYR 614.A OH TYR 592.A OH no hydrogen 2.770 N/A HIS 615.A NE2 GLN 128.A OE1 no hydrogen 3.144 N/A ILE 617.A N HIS 615.A ND1 no hydrogen 3.036 N/A CYS 618.A N HIS 615.A O no hydrogen 2.805 N/A LYS 619.A N HIS 615.A O no hydrogen 3.082 N/A LYS 619.A NZ ASP 612.A OD1 no hydrogen 2.877 N/A ALA 620.A N PRO 616.A O no hydrogen 2.942 N/A LEU 621.A N ILE 617.A O no hydrogen 3.250 N/A VAL 622.A N CYS 618.A O no hydrogen 3.119 N/A LYS 623.A N LYS 619.A O no hydrogen 2.915 N/A GLN 624.A N ALA 620.A O no hydrogen 3.118 N/A ASP 625.A N LEU 621.A O no hydrogen 2.703 N/A LEU 626.A N VAL 622.A O no hydrogen 2.959 N/A GLY 627.A N GLN 624.A O no hydrogen 3.038 N/A LEU 628.A N LYS 623.A O no hydrogen 3.062 N/A