Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2w04_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A NE2 SER 139.A O no hydrogen 3.000 N/A SER 5.A N HIS 1.A O no hydrogen 3.130 N/A SER 5.A OG HIS 1.A O no hydrogen 2.859 N/A ARG 6.A N ASP 2.A O no hydrogen 2.848 N/A MET 7.A N VAL 3.A O no hydrogen 2.923 N/A ILE 8.A N LEU 4.A O no hydrogen 2.929 N/A SER 9.A N SER 5.A O no hydrogen 3.089 N/A SER 9.A OG SER 5.A O no hydrogen 3.520 N/A SER 9.A OG ARG 6.A O no hydrogen 2.741 N/A GLU 10.A N ARG 6.A O no hydrogen 3.134 N/A LYS 11.A N MET 7.A O no hydrogen 3.147 N/A ALA 12.A N ILE 8.A O no hydrogen 3.027 N/A ALA 13.A N SER 9.A O no hydrogen 2.952 N/A LEU 14.A N GLU 10.A O no hydrogen 2.992 N/A HIS 15.A N LYS 11.A O no hydrogen 3.023 N/A GLY 16.A N ALA 12.A O no hydrogen 2.992 N/A LEU 17.A N ALA 13.A O no hydrogen 3.077 N/A LEU 18.A N LEU 14.A O no hydrogen 2.811 N/A ASN 19.A N HIS 15.A O no hydrogen 2.916 N/A ASN 19.A ND2 SER 166.A OG no hydrogen 2.747 N/A CYS 20.A N GLY 16.A O no hydrogen 3.275 N/A CYS 20.A SG GLY 16.A O no hydrogen 3.252 N/A CYS 20.A SG GLU 24.A OE2 no hydrogen 3.484 N/A LEU 21.A N LEU 17.A O no hydrogen 2.827 N/A ILE 22.A N LEU 18.A O no hydrogen 2.756 N/A LYS 23.A N ASN 19.A O no hydrogen 2.813 N/A LYS 23.A NZ PHE 79.A O no hydrogen 2.838 N/A LYS 23.A NZ GLY 80.A O no hydrogen 3.385 N/A GLU 24.A N CYS 20.A O no hydrogen 2.961 N/A PHE 25.A N LEU 21.A O no hydrogen 3.043 N/A ALA 26.A N LEU 21.A O no hydrogen 2.937 N/A ILE 27.A N ILE 22.A O no hydrogen 3.029 N/A GLU 29.A N PHE 25.A O no hydrogen 3.020 N/A GLY 30.A N ILE 27.A O no hydrogen 3.358 N/A TYR 31.A N ALA 26.A O no hydrogen 2.766 N/A ARG 33.A N MET 60.A O no hydrogen 2.894 N/A ILE 43.A N MET 40.A O no hydrogen 3.101 N/A ALA 47.A N PRO 44.A O no hydrogen 2.851 N/A TYR 48.A N PRO 45.A O no hydrogen 3.072 N/A PHE 49.A N PRO 45.A O no hydrogen 2.916 N/A ASP 50.A N ASP 53.A O no hydrogen 2.915 N/A ALA 52.A N ASP 50.A OD1 no hydrogen 2.792 N/A ASP 53.A N ASP 50.A OD1 no hydrogen 2.566 N/A LYS 55.A N TYR 48.A O no hydrogen 2.578 N/A LYS 55.A NZ LEU 85.A O no hydrogen 3.063 N/A GLY 56.A N TRP 54.A O no hydrogen 2.893 N/A ILE 57.A N VAL 73.A O no hydrogen 2.740 N/A MET 59.A N VAL 71.A O no hydrogen 2.721 N/A MET 60.A N ARG 33.A O no hydrogen 2.737 N/A ILE 61.A N LEU 69.A O no hydrogen 2.955 N/A GLY 62.A N TYR 31.A O no hydrogen 3.332 N/A LEU 63.A N LEU 67.A O no hydrogen 2.765 N/A GLN 66.A N LEU 63.A O no hydrogen 2.676 N/A LEU 67.A N ASP 65.A OD1 no hydrogen 3.356 N/A GLN 68.A N ARG 91.A O no hydrogen 3.132 N/A LEU 69.A N ILE 61.A O no hydrogen 2.875 N/A PHE 70.A N TYR 89.A O no hydrogen 3.063 N/A VAL 71.A N MET 59.A O no hydrogen 3.126 N/A MET 72.A N SER 86.A OG no hydrogen 2.994 N/A VAL 73.A N ILE 57.A O no hydrogen 2.809 N/A ASP 74.A N HIS 83.A O no hydrogen 3.110 N/A ARG 75.A NE ASP 74.A OD1 no hydrogen 2.773 N/A ARG 75.A NE ASP 74.A OD2 no hydrogen 3.042 N/A ARG 75.A NH1 ASP 74.A OD2 no hydrogen 2.714 N/A ARG 75.A NH1 SER 513.A O no hydrogen 3.251 N/A ARG 75.A NH2 SER 513.A OG no hydrogen 2.966 N/A ASP 77.A N TYR 34.A OH no hydrogen 3.405 N/A THR 78.A OG1 PRO 572.A O no hydrogen 2.990 N/A PHE 79.A N ASP 77.A OD2 no hydrogen 2.869 N/A GLY 80.A N ASP 77.A O no hydrogen 2.767 N/A SER 81.A N ASP 77.A OD2 no hydrogen 2.790 N/A SER 81.A OG ASP 77.A OD2 no hydrogen 3.468 N/A SER 81.A OG SER 506.A OG no hydrogen 2.875 N/A GLN 82.A NE2 GLY 80.A O no hydrogen 3.517 N/A GLN 82.A NE2 GLN 82.A O no hydrogen 3.589 N/A HIS 83.A N ASP 74.A OD1 no hydrogen 3.021 N/A HIS 83.A ND1 ASP 74.A OD2 no hydrogen 2.873 N/A TYR 84.A OH ASN 19.A OD1 no hydrogen 2.703 N/A LEU 85.A N MET 72.A O no hydrogen 2.578 N/A SER 86.A OG ASP 87.A O no hydrogen 2.834 N/A TYR 89.A N PHE 70.A O no hydrogen 3.194 N/A LEU 90.A N GLN 97.A O no hydrogen 2.970 N/A ARG 91.A N GLN 68.A O no hydrogen 3.246 N/A ARG 91.A NH1 GLU 39.A O no hydrogen 2.940 N/A ARG 91.A NH2 GLN 68.A OE1 no hydrogen 2.782 N/A TRP 96.A N LYS 41.A O no hydrogen 3.057 N/A GLN 97.A N LEU 90.A O no hydrogen 2.876 N/A CYS 98.A SG VAL 88.A O no hydrogen 3.862 N/A LEU 104.A N ASP 100.A O no hydrogen 2.939 N/A VAL 105.A N PHE 101.A O no hydrogen 2.961 N/A ALA 106.A N GLU 102.A O no hydrogen 3.119 N/A ARG 107.A N PRO 103.A O no hydrogen 3.256 N/A ARG 107.A NH1 GLN 92.A OE1 no hydrogen 2.861 N/A ARG 107.A NH2 GLN 97.A OE1 no hydrogen 3.172 N/A LEU 108.A N LEU 104.A O no hydrogen 2.957 N/A LEU 109.A N VAL 105.A O no hydrogen 2.889 N/A ALA 110.A N ALA 106.A O no hydrogen 2.937 N/A ALA 111.A N ARG 107.A O no hydrogen 3.008 N/A ALA 111.A N LEU 108.A O no hydrogen 3.227 N/A CYS 112.A N LEU 108.A O no hydrogen 3.311 N/A CYS 112.A SG LEU 108.A O no hydrogen 3.392 N/A GLU 113.A N LEU 109.A O no hydrogen 2.738 N/A HIS 114.A N ALA 110.A O no hydrogen 3.219 N/A HIS 114.A N ALA 111.A O no hydrogen 3.008 N/A ILE 115.A N ALA 111.A O no hydrogen 3.135 N/A ALA 116.A N CYS 112.A O no hydrogen 2.824 N/A GLY 117.A N HIS 114.A O no hydrogen 3.228 N/A ARG 118.A N GLU 113.A O no hydrogen 3.025 N/A ASN 120.A N GLU 113.A OE2 no hydrogen 3.384 N/A LEU 123.A N ASN 120.A O no hydrogen 3.115 N/A TYR 124.A N ASN 120.A O no hydrogen 3.487 N/A TYR 124.A OH GLU 102.A O no hydrogen 3.294 N/A GLU 125.A N PRO 121.A O no hydrogen 3.311 N/A GLN 126.A N GLU 122.A O no hydrogen 3.207 N/A ILE 127.A N LEU 123.A O no hydrogen 2.843 N/A LEU 128.A N TYR 124.A O no hydrogen 3.017 N/A GLN 129.A N GLU 125.A O no hydrogen 2.832 N/A SER 130.A N GLN 126.A O no hydrogen 2.920 N/A GLN 131.A N ILE 127.A O no hydrogen 3.166 N/A GLN 131.A NE2 SER 9.A OG no hydrogen 2.747 N/A ARG 132.A N LEU 128.A O no hydrogen 3.104 N/A LEU 133.A N GLN 129.A O no hydrogen 3.143 N/A VAL 134.A N SER 130.A O no hydrogen 3.044 N/A SER 135.A N GLN 131.A O no hydrogen 2.930 N/A ALA 136.A N ARG 132.A O no hydrogen 3.173 N/A ILE 137.A N LEU 133.A O no hydrogen 2.742 N/A VAL 138.A N VAL 134.A O no hydrogen 2.911 N/A SER 139.A N SER 135.A O no hydrogen 3.050 N/A SER 139.A OG HIS 1.A NE2 no hydrogen 3.323 N/A SER 139.A OG ASP 2.A OD1 no hydrogen 3.022 N/A HIS 140.A N ALA 136.A O no hydrogen 2.975 N/A HIS 140.A NE2 GLN 189.A OE1 no hydrogen 2.864 N/A ASN 141.A N ILE 137.A O no hydrogen 2.987 N/A ASN 141.A ND2 ILE 137.A O no hydrogen 2.623 N/A ASN 141.A ND2 GLU 187.A O no hydrogen 3.185 N/A GLN 144.A N ASN 141.A O no hydrogen 3.361 N/A ARG 145.A N GLN 144.A OE1 no hydrogen 2.879 N/A ARG 145.A NE ASP 147.A OD1 no hydrogen 3.424 N/A ARG 145.A NH1 ASP 147.A OD1 no hydrogen 2.935 N/A ARG 145.A NH1 ASP 147.A OD2 no hydrogen 3.383 N/A ALA 148.A N ARG 145.A O no hydrogen 3.146 N/A LEU 150.A N ASP 147.A O no hydrogen 3.129 N/A GLN 151.A N ALA 148.A O no hydrogen 3.140 N/A GLN 151.A NE2 ASP 147.A O no hydrogen 3.008 N/A TYR 153.A N ALA 372.A O no hydrogen 3.174 N/A GLN 155.A NE2 HIS 152.A ND1 no hydrogen 3.493 N/A SER 156.A N HIS 152.A O no hydrogen 2.754 N/A SER 156.A OG TYR 153.A O no hydrogen 3.165 N/A GLU 157.A N TYR 153.A O no hydrogen 2.916 N/A GLU 157.A N LEU 154.A O no hydrogen 2.997 N/A GLN 158.A N LEU 154.A O no hydrogen 2.954 N/A GLY 163.A N LEU 160.A O no hydrogen 3.076 N/A SER 166.A N HIS 164.A ND1 no hydrogen 3.066 N/A ALA 169.A N HIS 167.A ND1 no hydrogen 2.858 N/A LYS 171.A N SER 130.A OG no hydrogen 2.977 N/A LYS 171.A NZ LEU 160.A O no hydrogen 2.640 N/A LYS 171.A NZ GLU 187.A OE2 no hydrogen 2.719 N/A ALA 172.A N ALA 169.A O no hydrogen 3.146 N/A ARG 173.A NH1 GLU 187.A OE1 no hydrogen 2.907 N/A ARG 173.A NH2 GLU 187.A OE1 no hydrogen 3.089 N/A ARG 173.A NH2 GLU 187.A OE2 no hydrogen 2.434 N/A LEU 174.A N ARG 293.A O no hydrogen 3.190 N/A TRP 175.A NE1 GLN 181.A OE1 no hydrogen 2.745 N/A LEU 179.A N PRO 176.A O no hydrogen 3.053 N/A GLY 180.A N ALA 177.A O no hydrogen 2.963 N/A GLN 181.A NE2 ARG 173.A O no hydrogen 3.667 N/A TRP 184.A N GLN 181.A O no hydrogen 2.848 N/A ALA 185.A N GLU 182.A O no hydrogen 3.221 N/A PHE 188.A N ALA 185.A O no hydrogen 2.896 N/A GLN 189.A N PRO 186.A O no hydrogen 2.678 N/A GLN 189.A NE2 ASN 141.A OD1 no hydrogen 3.022 N/A GLN 189.A NE2 GLU 187.A O no hydrogen 3.049 N/A ALA 190.A N ALA 185.A O no hydrogen 3.341 N/A ALA 192.A N ALA 268.A O no hydrogen 3.137 N/A LEU 194.A N ARG 266.A O no hydrogen 2.969 N/A HIS 195.A N MET 235.A O no hydrogen 2.895 N/A HIS 195.A NE2 ASP 260.A OD1 no hydrogen 2.832 N/A GLN 196.A N GLY 262.A O no hydrogen 3.114 N/A GLN 196.A NE2 SER 264.A OG no hydrogen 3.069 N/A PHE 197.A N ILE 233.A O no hydrogen 2.904 N/A GLU 198.A N ARG 259.A O no hydrogen 3.250 N/A VAL 199.A N ALA 231.A O no hydrogen 2.965 N/A VAL 201.A N GLY 229.A O no hydrogen 2.648 N/A GLY 203.A N PRO 200.A O no hydrogen 3.132 N/A LEU 204.A N VAL 201.A O no hydrogen 3.245 N/A HIS 205.A N SER 340.A O no hydrogen 2.693 N/A GLY 207.A N VAL 338.A O no hydrogen 2.945 N/A ASN 209.A N PRO 336.A O no hydrogen 2.800 N/A ASN 209.A ND2 VAL 310.A O no hydrogen 3.201 N/A ASN 209.A ND2 ASP 313.A OD2 no hydrogen 2.749 N/A THR 212.A N GLN 215.A OE1 no hydrogen 2.838 N/A THR 212.A OG1 GLN 215.A OE1 no hydrogen 3.042 N/A GLN 215.A N THR 212.A OG1 no hydrogen 2.886 N/A VAL 216.A N THR 212.A O no hydrogen 2.971 N/A LEU 217.A N PRO 213.A O no hydrogen 3.052 N/A ASP 218.A N GLN 214.A O no hydrogen 2.828 N/A GLY 219.A N GLN 215.A O no hydrogen 2.971 N/A PHE 220.A N VAL 216.A O no hydrogen 3.393 N/A PHE 220.A N LEU 217.A O no hydrogen 3.078 N/A ALA 221.A N LEU 217.A O no hydrogen 2.977 N/A GLN 223.A NE2 LEU 217.A O no hydrogen 2.815 N/A GLN 223.A NE2 ILE 232.A O no hydrogen 3.172 N/A GLN 224.A N ASP 222.A OD1 no hydrogen 2.858 N/A ALA 226.A N GLN 223.A O no hydrogen 3.059 N/A SER 227.A N GLU 198.A OE2 no hydrogen 2.923 N/A SER 227.A OG GLU 198.A OE2 no hydrogen 2.450 N/A HIS 230.A ND1 PRO 228.A O no hydrogen 3.021 N/A ALA 231.A N VAL 199.A O no hydrogen 2.840 N/A ILE 232.A N GLN 223.A OE1 no hydrogen 2.589 N/A ILE 233.A N PHE 197.A O no hydrogen 3.038 N/A CYS 234.A SG PHE 220.A O no hydrogen 3.746 N/A VAL 238.A N HIS 236.A ND1 no hydrogen 3.362 N/A GLN 239.A NE2 GLN 357.A O no hydrogen 3.404 N/A GLN 239.A NE2 GLN 357.A OE1 no hydrogen 3.695 N/A ALA 240.A N HIS 236.A O no hydrogen 2.888 N/A GLN 241.A N PRO 237.A O no hydrogen 3.146 N/A LEU 242.A N VAL 238.A O no hydrogen 3.125 N/A PHE 243.A N GLN 239.A O no hydrogen 2.842 N/A MET 244.A N ALA 240.A O no hydrogen 2.967 N/A MET 244.A N GLN 241.A O no hydrogen 3.248 N/A GLN 245.A N LEU 242.A O no hydrogen 3.228 N/A GLN 245.A NE2 GLN 241.A O no hydrogen 3.121 N/A ASP 246.A N PHE 243.A O no hydrogen 3.412 N/A ARG 248.A N ASP 246.A OD1 no hydrogen 2.959 N/A ARG 248.A NE ASP 246.A OD1 no hydrogen 2.908 N/A ARG 248.A NH1 ASP 246.A OD1 no hydrogen 3.540 N/A ARG 248.A NH1 ASP 246.A OD2 no hydrogen 3.177 N/A ARG 248.A NH2 ASP 350.A OD1 no hydrogen 2.693 N/A GLN 250.A N ASP 246.A O no hydrogen 2.922 N/A GLN 250.A NE2 MET 244.A O no hydrogen 2.576 N/A GLN 251.A N ALA 247.A O no hydrogen 2.712 N/A LEU 252.A N ARG 248.A O no hydrogen 3.208 N/A LEU 253.A N VAL 249.A O no hydrogen 2.855 N/A ARG 254.A N GLN 250.A O no hydrogen 2.992 N/A ASP 255.A N GLN 251.A O no hydrogen 2.939 N/A ASN 256.A N LEU 253.A O no hydrogen 3.113 N/A VAL 257.A N LEU 252.A O no hydrogen 2.959 N/A ILE 258.A N LEU 252.A O no hydrogen 3.475 N/A ARG 259.A N GLU 198.A O no hydrogen 3.163 N/A LEU 261.A N GLN 196.A O no hydrogen 3.021 N/A GLN 263.A NE2 ALA 193.A O no hydrogen 2.725 N/A GLY 265.A N LEU 194.A O no hydrogen 2.939 N/A ARG 266.A NH1 ASP 218.A O no hydrogen 3.379 N/A ARG 266.A NH2 ASP 218.A O no hydrogen 2.897 N/A ALA 268.A N ALA 192.A O no hydrogen 3.127 N/A SER 269.A N PHE 278.A O no hydrogen 2.914 N/A THR 271.A N THR 276.A O no hydrogen 2.761 N/A THR 271.A OG1 SER 273.A OG no hydrogen 2.950 N/A THR 271.A OG1 THR 276.A O no hydrogen 2.908 N/A ALA 272.A N GLU 157.A OE1 no hydrogen 3.335 N/A SER 273.A OG THR 271.A OG1 no hydrogen 2.950 N/A SER 273.A OG THR 276.A OG1 no hydrogen 3.112 N/A ILE 274.A N THR 271.A O no hydrogen 2.662 N/A ARG 275.A N SER 273.A O no hydrogen 2.890 N/A ARG 275.A NH1 GLY 288.A O no hydrogen 3.201 N/A ARG 275.A NH2 GLU 460.A OE1 no hydrogen 3.154 N/A THR 276.A OG1 SER 273.A OG no hydrogen 3.112 N/A TRP 277.A N ILE 286.A O no hydrogen 2.699 N/A PHE 278.A N SER 269.A O no hydrogen 2.668 N/A HIS 282.A NE2 GLY 219.A O no hydrogen 2.936 N/A PHE 285.A N ARG 363.A O no hydrogen 2.596 N/A ILE 286.A N TRP 277.A O no hydrogen 3.180 N/A LYS 287.A N ILE 361.A O no hydrogen 2.957 N/A LYS 287.A NZ ASP 458.A OD1 no hydrogen 3.345 N/A LYS 287.A NZ GLU 460.A OE2 no hydrogen 2.930 N/A GLY 288.A N ARG 275.A O no hydrogen 3.285 N/A SER 289.A OG ASN 301.A OD1 no hydrogen 2.339 N/A SER 289.A OG GLU 356.A O no hydrogen 2.666 N/A LEU 290.A N ARG 299.A O no hydrogen 2.906 N/A ASN 291.A N GLN 239.A OE1 no hydrogen 3.413 N/A VAL 292.A N LEU 290.A O no hydrogen 2.679 N/A ARG 293.A NH1 ASN 296.A OD1 no hydrogen 3.054 N/A ILE 294.A N CYS 297.A O no hydrogen 2.623 N/A THR 295.A N ALA 172.A O no hydrogen 3.352 N/A THR 295.A OG1 ILE 294.A O no hydrogen 3.079 N/A ARG 299.A N VAL 292.A O no hydrogen 3.251 N/A ARG 299.A NH1 ILE 294.A O no hydrogen 2.277 N/A ARG 299.A NH1 CYS 297.A O no hydrogen 3.232 N/A ARG 299.A NH2 THR 295.A OG1 no hydrogen 3.417 N/A LYS 300.A NZ ASN 291.A OD1 no hydrogen 2.816 N/A ALA 302.A N GLU 305.A OE2 no hydrogen 3.431 N/A LEU 306.A N ALA 302.A O no hydrogen 2.924 N/A GLU 307.A N TRP 303.A O no hydrogen 3.073 N/A SER 308.A N TYR 304.A O no hydrogen 2.733 N/A SER 308.A OG GLU 305.A O no hydrogen 3.357 N/A THR 309.A N GLU 305.A O no hydrogen 3.026 N/A THR 309.A OG1 GLU 305.A O no hydrogen 3.060 N/A ILE 312.A N SER 308.A O no hydrogen 2.955 N/A ASP 313.A N THR 309.A O no hydrogen 2.968 N/A ARG 314.A N VAL 310.A O no hydrogen 2.981 N/A LEU 315.A N LEU 311.A O no hydrogen 2.749 N/A PHE 316.A N ILE 312.A O no hydrogen 2.774 N/A ARG 317.A N ASP 313.A O no hydrogen 3.099 N/A ARG 317.A NH2 ASP 313.A OD2 no hydrogen 2.681 N/A GLN 318.A N ARG 314.A O no hydrogen 3.323 N/A LEU 319.A N LEU 315.A O no hydrogen 3.057 N/A LEU 320.A N PHE 316.A O no hydrogen 3.016 N/A ASP 321.A N ARG 317.A O no hydrogen 3.028 N/A GLN 322.A N GLN 318.A O no hydrogen 2.816 N/A HIS 323.A N LEU 319.A O no hydrogen 2.760 N/A THR 326.A N HIS 323.A O no hydrogen 3.031 N/A THR 326.A OG1 HIS 323.A O no hydrogen 3.154 N/A THR 326.A OG1 HIS 431.A NE2 no hydrogen 2.818 N/A LEU 327.A N ALA 324.A O no hydrogen 3.388 N/A LEU 330.A N LEU 327.A O no hydrogen 3.018 N/A ALA 333.A N LEU 456.A O no hydrogen 2.785 N/A ALA 334.A N GLU 364.A OE1 no hydrogen 3.199 N/A GLU 335.A N ASP 313.A OD1 no hydrogen 2.771 N/A VAL 338.A N GLY 207.A O no hydrogen 2.814 N/A VAL 339.A N GLY 360.A O no hydrogen 2.951 N/A SER 340.A N HIS 205.A O no hydrogen 3.073 N/A TRP 341.A N THR 358.A OG1 no hydrogen 3.189 N/A TRP 341.A NE1 PRO 200.A O no hydrogen 3.195 N/A SER 342.A N GLY 203.A O no hydrogen 2.961 N/A SER 342.A OG SER 351.A OG no hydrogen 3.145 N/A ALA 346.A N PRO 343.A O no hydrogen 3.030 N/A ASP 350.A N GLY 347.A O no hydrogen 3.007 N/A SER 351.A N GLY 347.A O no hydrogen 3.062 N/A SER 351.A OG SER 342.A OG no hydrogen 3.145 N/A HIS 352.A N GLU 348.A O no hydrogen 3.067 N/A TRP 353.A N LEU 349.A O no hydrogen 3.229 N/A PHE 354.A N ASP 350.A O no hydrogen 2.727 N/A ARG 355.A N SER 351.A O no hydrogen 3.059 N/A ARG 355.A NE SER 340.A OG no hydrogen 2.757 N/A ARG 355.A NH2 GLU 307.A OE2 no hydrogen 3.076 N/A GLU 356.A N HIS 352.A O no hydrogen 3.093 N/A GLN 357.A N TRP 353.A O no hydrogen 2.993 N/A THR 358.A N PHE 354.A O no hydrogen 3.065 N/A THR 358.A OG1 TRP 341.A O no hydrogen 3.120 N/A THR 358.A OG1 PHE 354.A O no hydrogen 2.605 N/A GLY 359.A N ARG 355.A O no hydrogen 2.794 N/A GLY 360.A N VAL 339.A O no hydrogen 2.812 N/A ILE 361.A N LYS 287.A O no hydrogen 2.878 N/A LEU 362.A N GLY 337.A O no hydrogen 2.718 N/A ARG 363.A N PHE 285.A O no hydrogen 3.022 N/A ARG 363.A NE GLU 335.A OE2 no hydrogen 2.877 N/A ARG 363.A NH2 GLU 335.A OE2 no hydrogen 2.648 N/A GLU 364.A N ALA 334.A O no hydrogen 2.803 N/A ASN 365.A N ASP 283.A O no hydrogen 2.542 N/A ASN 365.A ND2 HIS 282.A O no hydrogen 3.009 N/A CYS 367.A N ASN 365.A OD1 no hydrogen 2.881 N/A ARG 368.A N ASN 365.A O no hydrogen 3.248 N/A ARG 368.A NE ASP 283.A OD1 no hydrogen 3.278 N/A ARG 369.A N PHE 366.A O no hydrogen 2.846 N/A ARG 369.A NE GLU 364.A OE2 no hydrogen 3.373 N/A THR 370.A N CYS 367.A O no hydrogen 3.110 N/A THR 370.A OG1 PHE 366.A O no hydrogen 3.160 N/A GLY 371.A N CYS 367.A O no hydrogen 2.517 N/A ARG 374.A N GLY 371.A O no hydrogen 2.919 N/A ARG 374.A NH1 HIS 446.A O no hydrogen 3.096 N/A SER 375.A N ALA 372.A O no hydrogen 3.327 N/A SER 375.A OG GLY 371.A O no hydrogen 3.469 N/A ILE 376.A N LEU 444.A O no hydrogen 2.987 N/A MET 377.A N SER 156.A OG no hydrogen 2.684 N/A ALA 378.A N SER 442.A O no hydrogen 2.748 N/A GLY 379.A N LEU 439.A O no hydrogen 3.137 N/A THR 380.A OG1 SER 156.A O no hydrogen 2.637 N/A LEU 381.A N MET 377.A O no hydrogen 2.960 N/A PHE 382.A N ALA 378.A O no hydrogen 3.089 N/A ALA 383.A N THR 380.A O no hydrogen 2.815 N/A ARG 384.A NH1 HIS 15.A ND1 no hydrogen 3.158 N/A GLY 385.A N GLN 389.A O no hydrogen 2.837 N/A LEU 388.A N GLY 385.A O no hydrogen 2.930 N/A GLN 389.A N ASP 387.A OD1 no hydrogen 3.041 N/A MET 391.A N ALA 383.A O no hydrogen 3.319 N/A GLN 393.A NE2 ALA 511.A O no hydrogen 2.657 N/A GLN 393.A NE2 LEU 512.A O no hydrogen 2.918 N/A THR 394.A OG1 ASP 147.A OD2 no hydrogen 2.877 N/A PHE 395.A N MET 391.A O no hydrogen 3.140 N/A LEU 396.A N ILE 392.A O no hydrogen 2.912 N/A ARG 397.A N GLN 393.A O no hydrogen 3.301 N/A THR 398.A N THR 394.A O no hydrogen 2.988 N/A THR 398.A OG1 THR 394.A O no hydrogen 2.628 N/A HIS 399.A N PHE 395.A O no hydrogen 3.299 N/A TYR 400.A N LEU 396.A O no hydrogen 2.785 N/A ALA 408.A N ASP 405.A OD1 no hydrogen 2.847 N/A LEU 409.A N ASP 405.A O no hydrogen 3.042 N/A LEU 410.A N ASP 406.A O no hydrogen 2.832 N/A TYR 411.A N ASN 407.A O no hydrogen 3.101 N/A TRP 412.A N ALA 408.A O no hydrogen 3.070 N/A TRP 412.A NE1 GLY 449.A O no hydrogen 2.913 N/A PHE 413.A N LEU 409.A O no hydrogen 3.034 N/A ASP 414.A N LEU 410.A O no hydrogen 3.170 N/A ASP 415.A N TYR 411.A O no hydrogen 3.090 N/A TYR 416.A N TRP 412.A O no hydrogen 3.037 N/A TYR 416.A OH HIS 504.A NE2 no hydrogen 2.810 N/A GLN 417.A N PHE 413.A O no hydrogen 2.808 N/A GLN 417.A NE2 ASP 414.A O no hydrogen 3.108 N/A GLN 417.A NE2 ASP 414.A OD1 no hydrogen 2.836 N/A GLN 417.A NE2 GLN 530.A OE1 no hydrogen 2.879 N/A THR 418.A N ASP 414.A O no hydrogen 3.198 N/A THR 418.A OG1 GLN 530.A OE1 no hydrogen 2.809 N/A ARG 419.A N TYR 416.A O no hydrogen 2.904 N/A ARG 419.A NE GLN 452.A O no hydrogen 2.829 N/A ARG 419.A NH2 ASP 415.A O no hydrogen 2.610 N/A ARG 419.A NH2 ASP 415.A OD1 no hydrogen 3.361 N/A LEU 420.A N GLN 417.A O no hydrogen 3.058 N/A LEU 421.A N GLN 417.A O no hydrogen 2.955 N/A ARG 422.A N THR 418.A O no hydrogen 3.270 N/A ARG 422.A NE GLU 537.A OE1 no hydrogen 3.028 N/A ARG 422.A NH1 GLU 537.A OE2 no hydrogen 2.783 N/A VAL 424.A N LEU 420.A O no hydrogen 3.451 N/A LEU 425.A N LEU 421.A O no hydrogen 3.022 N/A SER 426.A N ARG 422.A O no hydrogen 2.961 N/A SER 426.A OG ARG 422.A O no hydrogen 2.594 N/A LEU 427.A N PRO 423.A O no hydrogen 2.930 N/A PHE 428.A N VAL 424.A O no hydrogen 2.956 N/A PHE 429.A N LEU 425.A O no hydrogen 3.141 N/A ASN 430.A ND2 THR 326.A O no hydrogen 3.142 N/A ASN 430.A ND2 SER 426.A O no hydrogen 3.263 N/A HIS 431.A N LEU 427.A O no hydrogen 3.207 N/A HIS 431.A ND1 TYR 472.A OH no hydrogen 2.834 N/A HIS 431.A NE2 THR 326.A OG1 no hydrogen 2.818 N/A GLY 432.A N PHE 428.A O no hydrogen 2.523 N/A VAL 433.A N LEU 427.A O no hydrogen 3.014 N/A VAL 434.A N LYS 463.A O no hydrogen 2.758 N/A LEU 439.A N ASN 503.A OD1 no hydrogen 3.338 N/A ASN 441.A N HIS 438.A ND1 no hydrogen 3.258 N/A ASN 441.A N HIS 438.A O no hydrogen 2.979 N/A ASN 441.A ND2 GLU 436.A O no hydrogen 2.613 N/A SER 442.A OG HIS 438.A O no hydrogen 2.698 N/A VAL 443.A N LEU 455.A O no hydrogen 2.850 N/A LEU 444.A N ILE 376.A O no hydrogen 2.913 N/A VAL 445.A N GLN 453.A O no hydrogen 2.738 N/A HIS 446.A N ARG 374.A O no hydrogen 2.945 N/A GLN 447.A N ARG 450.A O no hydrogen 2.756 N/A GLY 449.A N HIS 446.A ND1 no hydrogen 3.098 N/A ARG 450.A N GLN 447.A O no hydrogen 2.728 N/A ARG 450.A NH1 HIS 399.A O no hydrogen 3.534 N/A ARG 450.A NH1 GLN 448.A O no hydrogen 2.545 N/A GLN 452.A N VAL 445.A O no hydrogen 2.791 N/A GLN 453.A N VAL 445.A O no hydrogen 3.090 N/A LEU 455.A N VAL 443.A O no hydrogen 2.601 N/A LEU 456.A N VAL 331.A O no hydrogen 2.803 N/A ARG 457.A N ASN 441.A O no hydrogen 3.238 N/A ARG 457.A NH1 GLU 157.A OE2 no hydrogen 3.122 N/A ARG 457.A NH2 GLU 157.A OE2 no hydrogen 3.346 N/A ARG 457.A NH2 GLN 440.A O no hydrogen 2.442 N/A PHE 459.A N GLU 335.A OE2 no hydrogen 2.961 N/A VAL 462.A N PHE 459.A O no hydrogen 2.947 N/A LYS 463.A N VAL 434.A O no hydrogen 2.854 N/A LYS 463.A NZ SER 484.A O no hydrogen 2.772 N/A LEU 464.A N LEU 485.A O no hydrogen 2.753 N/A THR 465.A N GLY 432.A O no hydrogen 3.204 N/A THR 465.A OG1 ASP 467.A OD1 no hydrogen 2.756 N/A ASP 466.A N TYR 487.A O no hydrogen 2.734 N/A LEU 468.A N THR 465.A OG1 no hydrogen 3.232 N/A GLY 469.A N THR 465.A OG1 no hydrogen 3.162 N/A ILE 470.A N THR 465.A O no hydrogen 2.811 N/A ARG 471.A N LEU 468.A O no hydrogen 3.280 N/A TYR 472.A OH HIS 431.A ND1 no hydrogen 2.834 N/A ILE 473.A N ILE 470.A O no hydrogen 2.729 N/A ILE 477.A N ASP 474.A O no hydrogen 3.315 N/A ARG 480.A N HIS 478.A ND1 no hydrogen 2.875 N/A ARG 480.A NE ARG 480.A O no hydrogen 3.290 N/A ARG 482.A N HIS 478.A O no hydrogen 3.020 N/A GLN 483.A N PRO 479.A O no hydrogen 2.974 N/A SER 484.A N ARG 480.A O no hydrogen 2.912 N/A LEU 485.A N VAL 481.A O no hydrogen 3.244 N/A LEU 485.A N ARG 482.A O no hydrogen 3.271 N/A LEU 486.A N ARG 482.A O no hydrogen 3.029 N/A LEU 486.A N GLN 483.A O no hydrogen 3.024 N/A TYR 487.A N LEU 464.A O no hydrogen 3.104 N/A SER 488.A N GLN 491.A OE1 no hydrogen 2.725 N/A ARG 489.A NE GLU 544.A OE2 no hydrogen 2.707 N/A ARG 489.A NH1 GLU 544.A OE1 no hydrogen 2.500 N/A ARG 489.A NH1 GLU 544.A OE2 no hydrogen 3.187 N/A ARG 489.A NH2 ASP 467.A OD2 no hydrogen 3.373 N/A GLN 491.A N SER 488.A OG no hydrogen 3.120 N/A GLY 492.A N SER 488.A O no hydrogen 3.016 N/A TRP 493.A N ARG 489.A O no hydrogen 3.029 N/A ASN 494.A N GLU 490.A O no hydrogen 2.878 N/A ARG 495.A N GLN 491.A O no hydrogen 3.033 N/A ARG 495.A NH1 GLY 461.A O no hydrogen 2.478 N/A ILE 496.A N GLY 492.A O no hydrogen 2.971 N/A MET 497.A N TRP 493.A O no hydrogen 2.992 N/A TYR 498.A N ASN 494.A O no hydrogen 3.104 N/A CYS 499.A N ARG 495.A O no hydrogen 2.940 N/A CYS 499.A SG ARG 495.A O no hydrogen 3.144 N/A LEU 500.A N ILE 496.A O no hydrogen 2.890 N/A PHE 501.A N MET 497.A O no hydrogen 3.245 N/A ASN 503.A N TYR 498.A O no hydrogen 2.757 N/A ASN 503.A ND2 TYR 498.A OH no hydrogen 2.680 N/A HIS 504.A ND1 PRO 437.A O no hydrogen 2.866 N/A HIS 504.A NE2 TYR 416.A OH no hydrogen 2.810 N/A LEU 505.A N LEU 500.A O no hydrogen 2.888 N/A SER 506.A N PHE 501.A O no hydrogen 2.774 N/A SER 506.A OG SER 81.A OG no hydrogen 2.875 N/A THR 508.A N HIS 504.A O no hydrogen 3.067 N/A THR 508.A OG1 HIS 504.A O no hydrogen 3.012 N/A ILE 509.A N LEU 505.A O no hydrogen 2.815 N/A LEU 510.A N SER 506.A O no hydrogen 3.027 N/A ALA 511.A N GLU 507.A O no hydrogen 2.860 N/A LEU 512.A N THR 508.A O no hydrogen 2.830 N/A SER 513.A N ILE 509.A O no hydrogen 2.869 N/A SER 513.A OG ILE 509.A O no hydrogen 2.620 N/A ARG 516.A N SER 513.A O no hydrogen 2.800 N/A ARG 516.A NH2 LEU 404.A O no hydrogen 2.837 N/A LEU 519.A N ARG 516.A O no hydrogen 3.010 N/A ALA 520.A N PRO 517.A O no hydrogen 3.309 N/A MET 523.A N LEU 519.A O no hydrogen 2.835 N/A TRP 524.A N ALA 520.A O no hydrogen 3.036 N/A ARG 525.A N PRO 521.A O no hydrogen 3.121 N/A ARG 526.A N LEU 522.A O no hydrogen 3.157 N/A ARG 526.A NH1 GLN 529.A OE1 no hydrogen 2.729 N/A VAL 527.A N MET 523.A O no hydrogen 3.006 N/A GLN 528.A N TRP 524.A O no hydrogen 2.947 N/A GLN 529.A N ARG 525.A O no hydrogen 3.065 N/A GLN 530.A N ARG 526.A O no hydrogen 2.963 N/A GLN 530.A NE2 GLN 530.A O no hydrogen 2.921 N/A LEU 531.A N VAL 527.A O no hydrogen 2.941 N/A ARG 532.A N GLN 528.A O no hydrogen 3.074 N/A ALA 533.A N GLN 529.A O no hydrogen 3.041 N/A ILE 534.A N GLN 530.A O no hydrogen 3.025 N/A GLN 535.A N LEU 531.A O no hydrogen 3.077 N/A GLY 536.A N ARG 532.A O no hydrogen 3.318 N/A GLU 537.A N ILE 534.A O no hydrogen 2.773 N/A LEU 538.A N GLN 535.A O no hydrogen 2.816 N/A LYS 539.A N ASN 430.A OD1 no hydrogen 2.856 N/A LEU 545.A N SER 542.A O no hydrogen 2.774 N/A ASP 546.A N SER 542.A O no hydrogen 3.243 N/A ALA 547.A N PRO 543.A O no hydrogen 3.076 N/A LEU 548.A N GLU 544.A O no hydrogen 3.185 N/A ILE 549.A N LEU 545.A O no hydrogen 2.963 N/A ALA 550.A N ASP 546.A O no hydrogen 2.764 N/A GLY 551.A N LEU 548.A O no hydrogen 2.994 N/A HIS 552.A N ALA 547.A O no hydrogen 3.151 N/A VAL 554.A N LEU 571.A O no hydrogen 2.826 N/A CYS 556.A N VAL 569.A O no hydrogen 2.806 N/A CYS 556.A SG LYS 557.A O no hydrogen 3.812 N/A THR 558.A N SER 567.A O no hydrogen 2.523 N/A THR 558.A OG1 ALA 566.A O no hydrogen 2.734 N/A THR 558.A OG1 SER 567.A O no hydrogen 2.754 N/A ASN 559.A N GLU 24.A OE1 no hydrogen 3.261 N/A ASN 559.A N GLU 24.A OE2 no hydrogen 3.061 N/A LEU 560.A N GLU 24.A OE1 no hydrogen 2.913 N/A LEU 560.A N GLU 24.A OE2 no hydrogen 2.824 N/A LYS 561.A N GLU 24.A OE1 no hydrogen 2.768 N/A ARG 563.A N LEU 560.A O no hydrogen 3.054 N/A LEU 564.A N LYS 561.A O no hydrogen 3.205 N/A VAL 569.A N CYS 556.A O no hydrogen 2.646 N/A ARG 570.A NH1 PRO 553.A O no hydrogen 3.085 N/A LEU 571.A N VAL 554.A O no hydrogen 2.829 N/A TRP 575.A NE1 LEU 548.A O no hydrogen 2.799 N/A