Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kfs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASN 6.A OD1 no hydrogen 2.960 N/A SER 3.A OG ASN 6.A OD1 no hydrogen 3.380 N/A TYR 4.A OH GLU 170.A OE2 no hydrogen 2.579 N/A ASP 5.A N SER 3.A OG no hydrogen 3.196 N/A TYR 7.A OH ASP 180.A OD2 no hydrogen 2.563 N/A THR 9.A OG1 GLU 169.A OE2 no hydrogen 2.782 N/A ILE 10.A N TYR 59.A O no hydrogen 2.945 N/A THR 15.A N ASP 12.A OD2 no hydrogen 2.785 N/A THR 15.A OG1 ASP 12.A OD1 no hydrogen 2.653 N/A THR 15.A OG1 ASP 12.A OD2 no hydrogen 3.007 N/A LEU 16.A N ASP 12.A O no hydrogen 3.015 N/A LYS 17.A N GLU 13.A O no hydrogen 2.736 N/A LYS 17.A NZ GLU 13.A OE1 no hydrogen 3.378 N/A ALA 18.A N GLU 14.A O no hydrogen 2.957 N/A TRP 19.A N THR 15.A O no hydrogen 3.038 N/A ILE 20.A N LEU 16.A O no hydrogen 2.850 N/A ALA 21.A N LYS 17.A O no hydrogen 3.086 N/A LYS 22.A N ALA 18.A O no hydrogen 3.223 N/A LEU 23.A N TRP 19.A O no hydrogen 2.841 N/A GLU 24.A N ILE 20.A O no hydrogen 2.892 N/A LYS 25.A N LYS 22.A O no hydrogen 3.182 N/A ALA 26.A N LEU 23.A O no hydrogen 3.265 N/A PHE 29.A N LEU 92.A O no hydrogen 3.202 N/A ALA 30.A N ALA 51.A O no hydrogen 2.965 N/A PHE 31.A N VAL 94.A O no hydrogen 2.865 N/A ASP 32.A N SER 49.A O no hydrogen 2.962 N/A THR 33.A N ASP 101.A OD1 no hydrogen 3.086 N/A THR 33.A OG1 ASP 101.A OD1 no hydrogen 2.908 N/A GLU 34.A N GLY 47.A O no hydrogen 2.792 N/A THR 35.A OG1 SER 37.A O no hydrogen 2.917 N/A THR 35.A OG1 TYR 100.A OH no hydrogen 2.632 N/A ASP 36.A N ASN 44.A O no hydrogen 3.031 N/A SER 37.A N THR 35.A OG1 no hydrogen 3.295 N/A ASP 39.A N SER 37.A OG no hydrogen 2.828 N/A SER 42.A N ASP 39.A O no hydrogen 3.284 N/A SER 42.A OG ASP 39.A OD2 no hydrogen 2.342 N/A ALA 43.A N ASN 40.A O no hydrogen 3.436 N/A ASN 44.A N ASP 36.A OD1 no hydrogen 2.862 N/A ASN 44.A ND2 ASP 36.A OD2 no hydrogen 2.963 N/A LEU 45.A N TYR 108.A OH no hydrogen 2.884 N/A VAL 46.A N GLU 34.A O no hydrogen 2.790 N/A GLY 47.A N GLU 34.A O no hydrogen 3.178 N/A LEU 48.A N ILE 60.A O no hydrogen 3.014 N/A SER 49.A N ASP 32.A O no hydrogen 2.882 N/A SER 49.A OG ALA 175.A O no hydrogen 2.735 N/A PHE 50.A N ALA 58.A O no hydrogen 3.008 N/A ALA 51.A N ALA 30.A O no hydrogen 3.098 N/A ILE 52.A N VAL 56.A O no hydrogen 3.048 N/A GLY 55.A N ASP 180.A OD1 no hydrogen 2.814 N/A VAL 56.A N GLU 53.A O no hydrogen 2.795 N/A ALA 58.A N PHE 50.A O no hydrogen 2.921 N/A TYR 59.A N VAL 8.A O no hydrogen 3.035 N/A TYR 59.A OH HIS 64.A NE2 no hydrogen 2.771 N/A ILE 60.A N LEU 48.A O no hydrogen 2.713 N/A VAL 62.A N VAL 46.A O no hydrogen 2.800 N/A ALA 63.A N VAL 46.A O no hydrogen 2.883 N/A HIS 64.A N GLN 72.A OE1 no hydrogen 2.954 N/A HIS 64.A ND1 ILE 166.A O no hydrogen 2.745 N/A HIS 64.A NE2 TYR 59.A OH no hydrogen 2.771 N/A ASP 65.A N ASN 164.A O no hydrogen 2.907 N/A ALA 69.A N TYR 66.A O no hydrogen 3.169 N/A GLN 72.A NE2 HIS 64.A O no hydrogen 3.049 N/A GLN 72.A NE2 PRO 70.A O no hydrogen 3.126 N/A ARG 75.A NH1 LEU 45.A O no hydrogen 2.821 N/A ARG 77.A N SER 74.A OG no hydrogen 3.139 N/A ARG 77.A NE GLU 13.A OE2 no hydrogen 2.920 N/A ARG 77.A NH1 GLU 80.A OE2 no hydrogen 2.935 N/A ARG 77.A NH2 GLU 13.A OE1 no hydrogen 2.928 N/A ALA 78.A N SER 74.A O no hydrogen 2.908 N/A LEU 79.A N ARG 75.A O no hydrogen 3.013 N/A GLU 80.A N GLU 76.A O no hydrogen 3.103 N/A LEU 81.A N ARG 77.A O no hydrogen 3.179 N/A LEU 82.A N ALA 78.A O no hydrogen 2.879 N/A LYS 83.A N LEU 79.A O no hydrogen 2.710 N/A LYS 83.A NZ GLY 109.A O no hydrogen 3.353 N/A LEU 86.A N LEU 82.A O no hydrogen 3.067 N/A GLU 87.A N LYS 83.A O no hydrogen 2.950 N/A ASP 88.A N LEU 85.A O no hydrogen 3.446 N/A LYS 90.A N ASP 88.A OD1 no hydrogen 2.873 N/A LYS 90.A NZ GLU 89.A OE2 no hydrogen 3.181 N/A ALA 91.A N ASP 88.A O no hydrogen 2.982 N/A LYS 93.A N GLY 114.A O no hydrogen 2.835 N/A LYS 93.A NZ LEU 85.A O no hydrogen 2.800 N/A LYS 93.A NZ LEU 86.A O no hydrogen 3.027 N/A LYS 93.A NZ ALA 91.A O no hydrogen 2.710 N/A LYS 93.A NZ ARG 113.A O no hydrogen 2.918 N/A VAL 94.A N PHE 29.A O no hydrogen 2.907 N/A GLY 95.A N PHE 117.A O no hydrogen 2.985 N/A GLN 96.A NE2 HIS 133.A O no hydrogen 2.834 N/A ASN 97.A N ASP 118.A OD1 no hydrogen 2.774 N/A LEU 98.A N ASP 118.A OD2 no hydrogen 2.742 N/A LYS 99.A NZ GLU 218.A OE2 no hydrogen 2.864 N/A TYR 100.A N ASN 97.A O no hydrogen 3.187 N/A TYR 100.A OH THR 35.A OG1 no hydrogen 2.632 N/A TYR 100.A OH SER 37.A O no hydrogen 2.765 N/A ARG 102.A N LEU 98.A O no hydrogen 2.925 N/A ARG 102.A NH1 SER 215.A OG no hydrogen 3.062 N/A ARG 102.A NH2 GLU 111.A OE1 no hydrogen 2.939 N/A GLY 103.A N LYS 99.A O no hydrogen 3.308 N/A ILE 104.A N TYR 100.A O no hydrogen 3.174 N/A LEU 105.A N ASP 101.A O no hydrogen 3.193 N/A ALA 106.A N ARG 102.A O no hydrogen 3.121 N/A ASN 107.A N GLY 103.A O no hydrogen 3.197 N/A ASN 107.A N ILE 104.A O no hydrogen 2.967 N/A ASN 107.A ND2 ASN 40.A O no hydrogen 2.958 N/A ASN 107.A ND2 ALA 43.A O no hydrogen 3.352 N/A TYR 108.A N LEU 105.A O no hydrogen 2.881 N/A GLY 109.A N ALA 106.A O no hydrogen 3.209 N/A ILE 110.A N LEU 105.A O no hydrogen 3.207 N/A GLU 111.A N GLU 87.A OE2 no hydrogen 2.877 N/A ARG 113.A N LEU 86.A O no hydrogen 2.963 N/A ARG 113.A NH1 GLU 87.A O no hydrogen 3.022 N/A ALA 116.A N GLY 114.A O no hydrogen 2.764 N/A PHE 117.A N LYS 93.A O no hydrogen 3.055 N/A THR 119.A N GLY 95.A O no hydrogen 2.931 N/A THR 119.A OG1 GLY 95.A O no hydrogen 3.545 N/A THR 119.A OG1 GLN 96.A OE1 no hydrogen 2.589 N/A MET 120.A N ASP 118.A OD1 no hydrogen 3.046 N/A GLU 122.A N ASP 118.A O no hydrogen 2.885 N/A SER 123.A N THR 119.A O no hydrogen 3.011 N/A TYR 124.A N MET 120.A O no hydrogen 3.049 N/A TYR 124.A OH THR 337.A O no hydrogen 2.621 N/A ILE 125.A N LEU 121.A O no hydrogen 3.095 N/A LEU 126.A N GLU 122.A O no hydrogen 3.044 N/A ASN 127.A N SER 123.A O no hydrogen 3.114 N/A SER 128.A OG ALA 338.A O no hydrogen 2.844 N/A VAL 129.A N ASN 127.A OD1 no hydrogen 2.900 N/A ALA 130.A N ASN 127.A O no hydrogen 2.966 N/A SER 137.A N ASP 134.A OD2 no hydrogen 3.022 N/A SER 137.A OG ASP 134.A OD1 no hydrogen 2.690 N/A SER 137.A OG ASP 134.A OD2 no hydrogen 3.139 N/A LEU 138.A N ASP 134.A O no hydrogen 2.829 N/A ALA 139.A N MET 135.A O no hydrogen 2.763 N/A GLU 140.A N ASP 136.A O no hydrogen 3.220 N/A ARG 141.A N SER 137.A O no hydrogen 2.993 N/A ARG 141.A NH1 ARG 132.A O no hydrogen 3.276 N/A ARG 141.A NH2 ARG 132.A O no hydrogen 2.725 N/A TRP 142.A N LEU 138.A O no hydrogen 2.900 N/A LEU 143.A N ALA 139.A O no hydrogen 2.887 N/A LYS 144.A NZ ARG 141.A O no hydrogen 3.446 N/A HIS 145.A N ALA 139.A O no hydrogen 3.227 N/A THR 147.A OG1 ASP 136.A OD2 no hydrogen 2.559 N/A ILE 148.A N GLU 177.A OE1 no hydrogen 2.747 N/A GLU 152.A N THR 149.A O no hydrogen 2.967 N/A ILE 153.A N PHE 150.A O no hydrogen 3.063 N/A ALA 154.A N PHE 150.A O no hydrogen 2.848 N/A GLY 155.A N GLU 151.A O no hydrogen 2.853 N/A GLN 160.A N GLY 157.A O no hydrogen 2.881 N/A GLN 160.A NE2 GLY 155.A O no hydrogen 2.974 N/A LEU 161.A N ALA 154.A O no hydrogen 2.778 N/A ASN 164.A ND2 THR 162.A OG1 no hydrogen 2.553 N/A GLN 165.A N THR 162.A O no hydrogen 2.926 N/A ILE 166.A N PHE 163.A O no hydrogen 3.162 N/A LEU 168.A N TYR 66.A OH no hydrogen 3.046 N/A ALA 171.A N ALA 167.A O no hydrogen 2.875 N/A GLY 172.A N LEU 168.A O no hydrogen 2.787 N/A ARG 173.A N GLU 169.A O no hydrogen 3.010 N/A ARG 173.A NE ILE 2.A O no hydrogen 2.714 N/A ARG 173.A NH1 GLU 170.A OE1 no hydrogen 2.830 N/A ARG 173.A NH2 ILE 2.A O no hydrogen 2.840 N/A TYR 174.A N GLU 170.A O no hydrogen 3.310 N/A ALA 175.A N ALA 171.A O no hydrogen 2.864 N/A ALA 176.A N GLY 172.A O no hydrogen 2.839 N/A GLU 177.A N ARG 173.A O no hydrogen 3.165 N/A ASP 178.A N TYR 174.A O no hydrogen 3.106 N/A ALA 179.A N ALA 175.A O no hydrogen 3.280 N/A ASP 180.A N ALA 176.A O no hydrogen 2.884 N/A VAL 181.A N GLU 177.A O no hydrogen 2.782 N/A THR 182.A N ASP 178.A O no hydrogen 2.917 N/A THR 182.A OG1 ASP 178.A O no hydrogen 2.610 N/A LEU 183.A N ALA 179.A O no hydrogen 3.057 N/A GLN 184.A N ASP 180.A O no hydrogen 2.928 N/A GLN 184.A NE2 ASP 180.A OD1 no hydrogen 2.992 N/A LEU 185.A N VAL 181.A O no hydrogen 2.768 N/A HIS 186.A N THR 182.A O no hydrogen 3.010 N/A HIS 186.A ND1 GLU 122.A OE2 no hydrogen 2.783 N/A LEU 187.A N LEU 183.A O no hydrogen 3.002 N/A LYS 188.A N GLN 184.A O no hydrogen 3.086 N/A LYS 188.A NZ TRP 142.A O no hydrogen 3.265 N/A MET 189.A N LEU 185.A O no hydrogen 2.876 N/A TRP 190.A N HIS 186.A O no hydrogen 2.761 N/A LEU 193.A N MET 189.A O no hydrogen 2.846 N/A GLN 194.A N PRO 191.A O no hydrogen 3.217 N/A GLN 194.A NE2 TRP 190.A O no hydrogen 3.443 N/A LYS 195.A N ASP 192.A O no hydrogen 3.025 N/A LEU 200.A N HIS 196.A O no hydrogen 3.297 N/A ASN 201.A N LYS 197.A O no hydrogen 2.994 N/A ASN 201.A ND2 ASP 492.A O no hydrogen 2.976 N/A ASN 201.A ND2 ASP 492.A OD1 no hydrogen 3.558 N/A VAL 202.A N GLY 198.A O no hydrogen 3.131 N/A PHE 203.A N PRO 199.A O no hydrogen 2.859 N/A GLU 204.A N LEU 200.A O no hydrogen 2.955 N/A ASN 205.A N ASN 201.A O no hydrogen 2.953 N/A ILE 206.A N VAL 202.A O no hydrogen 2.889 N/A GLU 207.A N VAL 202.A O no hydrogen 2.831 N/A MET 208.A N PHE 203.A O no hydrogen 2.889 N/A LEU 210.A N GLU 207.A O no hydrogen 3.247 N/A VAL 211.A N MET 208.A O no hydrogen 3.100 N/A LEU 214.A N LEU 210.A O no hydrogen 2.993 N/A SER 215.A N VAL 211.A O no hydrogen 3.277 N/A ARG 216.A N PRO 212.A O no hydrogen 3.137 N/A ARG 216.A NE ASP 537.A OD1 no hydrogen 3.087 N/A ARG 216.A NH2 ASP 537.A OD1 no hydrogen 3.548 N/A ARG 216.A NH2 ASP 537.A OD2 no hydrogen 2.805 N/A ILE 217.A N VAL 213.A O no hydrogen 2.968 N/A GLU 218.A N LEU 214.A O no hydrogen 2.940 N/A ARG 219.A N SER 215.A O no hydrogen 2.953 N/A ARG 219.A NH1 ASN 107.A OD1 no hydrogen 2.840 N/A ARG 219.A NH2 ASN 107.A OD1 no hydrogen 2.796 N/A ASN 220.A N ARG 216.A O no hydrogen 2.992 N/A GLY 221.A N ILE 217.A O no hydrogen 3.194 N/A VAL 222.A N VAL 328.A O no hydrogen 2.794 N/A ASP 225.A N ALA 365.A O no hydrogen 2.820 N/A LYS 227.A N ASP 225.A OD1 no hydrogen 2.900 N/A VAL 228.A N ASP 225.A OD1 no hydrogen 3.504 N/A LEU 229.A N ASP 225.A O no hydrogen 3.357 N/A HIS 230.A N PRO 226.A O no hydrogen 2.898 N/A ASN 231.A N LYS 227.A O no hydrogen 2.871 N/A HIS 232.A N VAL 228.A O no hydrogen 2.987 N/A HIS 232.A NE2 GLU 358.A OE1 no hydrogen 2.907 N/A SER 233.A N LEU 229.A O no hydrogen 2.971 N/A SER 233.A OG ASP 315.A OD1 no hydrogen 2.808 N/A GLU 234.A N HIS 230.A O no hydrogen 2.991 N/A GLU 235.A N ASN 231.A O no hydrogen 2.917 N/A LEU 236.A N HIS 232.A O no hydrogen 2.965 N/A THR 237.A N SER 233.A O no hydrogen 3.010 N/A THR 237.A N GLU 234.A O no hydrogen 3.141 N/A THR 237.A OG1 SER 233.A O no hydrogen 3.075 N/A LEU 238.A N GLU 234.A O no hydrogen 3.149 N/A ARG 239.A N GLU 235.A O no hydrogen 2.858 N/A ARG 239.A NH1 GLU 235.A OE2 no hydrogen 3.402 N/A ARG 239.A NH1 GLU 358.A OE2 no hydrogen 3.082 N/A LEU 240.A N LEU 236.A O no hydrogen 2.903 N/A ALA 241.A N THR 237.A O no hydrogen 3.054 N/A GLU 242.A N LEU 238.A O no hydrogen 2.915 N/A LEU 243.A N ARG 239.A O no hydrogen 3.048 N/A GLU 244.A N LEU 240.A O no hydrogen 3.077 N/A LYS 245.A N ALA 241.A O no hydrogen 3.083 N/A LYS 246.A N GLU 242.A O no hydrogen 2.767 N/A ALA 247.A N LEU 243.A O no hydrogen 2.909 N/A HIS 248.A N GLU 244.A O no hydrogen 2.994 N/A GLU 249.A N LYS 245.A O no hydrogen 2.921 N/A ILE 250.A N LYS 246.A O no hydrogen 3.163 N/A ILE 250.A N ALA 247.A O no hydrogen 3.157 N/A ALA 251.A N ALA 247.A O no hydrogen 3.226 N/A SER 259.A OG LYS 277.A O no hydrogen 3.256 N/A LYS 261.A NZ LYS 261.A O no hydrogen 3.055 N/A GLN 262.A N SER 258.A O no hydrogen 3.134 N/A GLN 262.A NE2 LYS 261.A O no hydrogen 3.662 N/A LEU 263.A N SER 258.A O no hydrogen 3.390 N/A THR 265.A OG1 GLN 262.A O no hydrogen 2.456 N/A ILE 266.A N LEU 263.A O no hydrogen 3.117 N/A LEU 267.A N LEU 263.A O no hydrogen 2.754 N/A PHE 268.A N GLN 264.A O no hydrogen 3.271 N/A LYS 270.A N ILE 266.A O no hydrogen 3.094 N/A GLN 271.A N PHE 268.A O no hydrogen 3.169 N/A GLU 284.A N PRO 280.A O no hydrogen 3.276 N/A VAL 286.A N GLU 284.A O no hydrogen 3.195 N/A LEU 290.A N VAL 286.A O no hydrogen 3.414 N/A ALA 291.A N LEU 287.A O no hydrogen 3.142 N/A LEU 292.A N GLU 289.A O no hydrogen 2.977 N/A ASP 293.A N LEU 290.A O no hydrogen 2.947 N/A TYR 294.A N LEU 290.A O no hydrogen 2.674 N/A VAL 299.A N PRO 295.A O no hydrogen 3.132 N/A ILE 300.A N LEU 296.A O no hydrogen 3.056 N/A LEU 301.A N PRO 297.A O no hydrogen 3.025 N/A GLU 302.A N LYS 298.A O no hydrogen 3.034 N/A ARG 304.A N ILE 300.A O no hydrogen 3.168 N/A ARG 304.A NE LEU 257.A O no hydrogen 3.374 N/A GLY 305.A N LEU 301.A O no hydrogen 3.243 N/A LEU 306.A N GLU 302.A O no hydrogen 3.428 N/A ALA 307.A N TYR 303.A O no hydrogen 2.894 N/A LYS 308.A N ARG 304.A O no hydrogen 2.936 N/A LEU 309.A N GLY 305.A O no hydrogen 3.209 N/A LYS 310.A N LEU 306.A O no hydrogen 3.068 N/A LYS 310.A NZ ASP 315.A OD2 no hydrogen 3.183 N/A SER 311.A N ALA 307.A O no hydrogen 3.414 N/A SER 311.A OG ALA 307.A O no hydrogen 3.486 N/A SER 311.A OG LYS 308.A O no hydrogen 3.188 N/A THR 312.A N LYS 308.A O no hydrogen 3.042 N/A THR 312.A OG1 LYS 308.A O no hydrogen 2.622 N/A TYR 313.A N LEU 309.A O no hydrogen 3.026 N/A TYR 313.A OH ASN 348.A O no hydrogen 2.645 N/A THR 314.A N LEU 309.A O no hydrogen 3.390 N/A ASP 315.A N LYS 310.A O no hydrogen 2.694 N/A LYS 316.A NZ SER 311.A O no hydrogen 2.677 N/A LEU 317.A N TYR 313.A O no hydrogen 3.137 N/A LEU 319.A N LYS 316.A O no hydrogen 3.003 N/A MET 320.A N LEU 317.A O no hydrogen 2.944 N/A ILE 321.A N PRO 318.A O no hydrogen 3.480 N/A ASN 322.A N ARG 327.A O no hydrogen 2.888 N/A ASN 322.A ND2 ASP 39.A OD2 no hydrogen 2.889 N/A LYS 324.A N ASN 322.A OD1 no hydrogen 2.785 N/A LYS 324.A NZ ILE 41.A O no hydrogen 3.318 N/A THR 325.A N ASN 322.A O no hydrogen 3.237 N/A THR 325.A OG1 HIS 329.A NE2 no hydrogen 2.703 N/A GLY 326.A N ASN 322.A O no hydrogen 2.638 N/A ARG 327.A N THR 325.A OG1 no hydrogen 3.160 N/A ARG 327.A NE ASN 220.A O no hydrogen 2.816 N/A ARG 327.A NH1 GLU 560.A OE2 no hydrogen 3.012 N/A ARG 327.A NH2 ASN 220.A O no hydrogen 3.532 N/A ARG 327.A NH2 GLY 221.A O no hydrogen 2.658 N/A ARG 327.A NH2 GLU 560.A OE2 no hydrogen 2.952 N/A VAL 328.A N VAL 222.A O no hydrogen 2.966 N/A HIS 329.A ND1 GLU 218.A O no hydrogen 2.714 N/A HIS 329.A NE2 THR 325.A OG1 no hydrogen 2.703 N/A THR 330.A OG1 SER 344.A OG no hydrogen 3.085 N/A THR 330.A OG1 THR 345.A O no hydrogen 2.895 N/A THR 330.A OG1 PRO 347.A O no hydrogen 2.984 N/A SER 331.A N THR 345.A O no hydrogen 2.971 N/A TYR 332.A N GLU 218.A OE2 no hydrogen 2.909 N/A TYR 332.A OH GLN 552.A O no hydrogen 3.300 N/A HIS 333.A N SER 343.A O no hydrogen 3.068 N/A HIS 333.A NE2 THR 345.A OG1 no hydrogen 2.728 N/A GLN 334.A NE2 GLU 207.A O no hydrogen 2.881 N/A GLN 334.A NE2 GLU 207.A OE1 no hydrogen 2.796 N/A THR 337.A OG1 TYR 124.A OH no hydrogen 3.204 N/A THR 337.A OG1 ARG 341.A O no hydrogen 2.646 N/A GLY 340.A N THR 337.A OG1 no hydrogen 3.182 N/A ARG 341.A NH1 ASP 555.A OD1 no hydrogen 2.987 N/A ARG 341.A NH2 GLU 383.A OE2 no hydrogen 2.929 N/A ARG 341.A NH2 ASP 555.A OD1 no hydrogen 3.018 N/A SER 343.A N HIS 333.A O no hydrogen 3.292 N/A SER 344.A OG THR 330.A OG1 no hydrogen 3.085 N/A SER 344.A OG PRO 347.A O no hydrogen 3.190 N/A THR 345.A N SER 331.A O no hydrogen 2.885 N/A THR 345.A OG1 HIS 333.A NE2 no hydrogen 2.728 N/A THR 345.A OG1 ASP 346.A OD2 no hydrogen 3.436 N/A ASN 351.A N ASN 348.A O no hydrogen 3.333 N/A ILE 352.A N LEU 349.A O no hydrogen 3.397 N/A GLU 358.A N ASN 356.A OD1 no hydrogen 3.195 N/A ARG 360.A NE ASP 598.A OD1 no hydrogen 3.149 N/A ARG 360.A NH2 ASP 598.A OD2 no hydrogen 3.344 N/A ARG 361.A N GLU 357.A O no hydrogen 2.923 N/A ARG 361.A NH1 GLU 235.A OE1 no hydrogen 3.073 N/A ARG 361.A NH1 GLU 235.A OE2 no hydrogen 2.850 N/A ARG 361.A NH2 GLU 235.A OE1 no hydrogen 3.111 N/A ILE 362.A N GLU 358.A O no hydrogen 3.003 N/A ARG 363.A N GLY 359.A O no hydrogen 3.077 N/A ARG 363.A NH2 PRO 353.A O no hydrogen 3.095 N/A GLN 364.A N ARG 360.A O no hydrogen 3.078 N/A GLN 364.A N ARG 361.A O no hydrogen 3.189 N/A GLN 364.A NE2 ASP 598.A OD2 no hydrogen 3.130 N/A ALA 365.A N ILE 362.A O no hydrogen 2.789 N/A PHE 366.A N ARG 363.A O no hydrogen 3.066 N/A ILE 367.A N LYS 223.A O no hydrogen 2.854 N/A ALA 368.A N GLU 595.A O no hydrogen 3.191 N/A TYR 372.A N PRO 369.A O no hydrogen 3.091 N/A VAL 373.A N VAL 561.A O no hydrogen 2.721 N/A ILE 374.A N GLY 594.A O no hydrogen 2.876 N/A VAL 375.A N PHE 559.A O no hydrogen 2.871 N/A SER 376.A N GLY 592.A O no hydrogen 2.696 N/A SER 376.A OG GLU 556.A OE1 no hydrogen 2.550 N/A ALA 377.A N LEU 557.A O no hydrogen 2.937 N/A ASP 378.A N GLU 590.A O no hydrogen 2.869 N/A TYR 379.A N ASP 555.A O no hydrogen 2.991 N/A TYR 379.A OH MET 577.A O no hydrogen 2.389 N/A SER 380.A N LEU 588.A O no hydrogen 2.993 N/A SER 380.A OG GLU 590.A OE2 no hydrogen 2.698 N/A LEU 384.A N GLN 381.A O no hydrogen 2.995 N/A ARG 385.A N GLN 381.A O no hydrogen 3.079 N/A ARG 385.A NE SER 380.A O no hydrogen 3.189 N/A ARG 385.A NH1 PRO 586.A O no hydrogen 2.818 N/A ILE 386.A N ILE 382.A O no hydrogen 2.856 N/A MET 387.A N GLU 383.A O no hydrogen 3.002 N/A ALA 388.A N LEU 384.A O no hydrogen 2.964 N/A HIS 389.A N ARG 385.A O no hydrogen 3.066 N/A LEU 390.A N ILE 386.A O no hydrogen 2.810 N/A SER 391.A N MET 387.A O no hydrogen 2.879 N/A SER 391.A OG MET 387.A O no hydrogen 2.815 N/A SER 391.A OG ALA 388.A O no hydrogen 3.280 N/A ARG 392.A N HIS 389.A O no hydrogen 3.074 N/A LEU 396.A N ASP 393.A OD1 no hydrogen 3.006 N/A LEU 397.A N ASP 393.A O no hydrogen 2.869 N/A THR 398.A N LYS 394.A O no hydrogen 2.845 N/A THR 398.A OG1 LYS 394.A O no hydrogen 2.634 N/A ALA 399.A N GLY 395.A O no hydrogen 2.952 N/A PHE 400.A N LEU 396.A O no hydrogen 2.963 N/A ALA 401.A N LEU 397.A O no hydrogen 2.931 N/A GLU 402.A N THR 398.A O no hydrogen 2.874 N/A GLY 403.A N PHE 400.A O no hydrogen 3.106 N/A LYS 404.A N ALA 399.A O no hydrogen 3.009 N/A HIS 407.A N ASP 405.A OD1 no hydrogen 3.047 N/A ARG 408.A N ASP 405.A OD1 no hydrogen 3.333 N/A ARG 408.A NH2 GLU 420.A O no hydrogen 3.002 N/A ARG 408.A NH2 VAL 422.A O no hydrogen 3.021 N/A ALA 409.A N ASP 405.A O no hydrogen 2.808 N/A THR 410.A N ILE 406.A O no hydrogen 2.828 N/A THR 410.A OG1 ILE 406.A O no hydrogen 2.552 N/A ALA 411.A N HIS 407.A O no hydrogen 2.961 N/A ALA 412.A N ARG 408.A O no hydrogen 2.866 N/A GLU 413.A N THR 410.A O no hydrogen 3.223 N/A VAL 414.A N THR 410.A O no hydrogen 2.877 N/A PHE 415.A N ALA 411.A O no hydrogen 2.812 N/A LEU 417.A N ALA 412.A O no hydrogen 3.003 N/A THR 421.A N PRO 418.A O no hydrogen 3.188 N/A THR 421.A OG1 PRO 418.A O no hydrogen 3.116 N/A VAL 422.A N LEU 419.A O no hydrogen 3.442 N/A THR 423.A N GLN 426.A OE1 no hydrogen 2.985 N/A GLN 426.A N THR 423.A OG1 no hydrogen 3.187 N/A ARG 427.A N THR 423.A O no hydrogen 3.014 N/A ARG 428.A N SER 424.A O no hydrogen 3.044 N/A SER 429.A N GLU 425.A O no hydrogen 3.114 N/A SER 429.A OG GLU 425.A O no hydrogen 2.967 N/A ALA 430.A N GLN 426.A O no hydrogen 3.027 N/A LYS 431.A N ARG 427.A O no hydrogen 2.982 N/A ALA 432.A N ARG 428.A O no hydrogen 3.221 N/A ILE 433.A N SER 429.A O no hydrogen 3.239 N/A ASN 434.A N ALA 430.A O no hydrogen 2.849 N/A ASN 434.A ND2 THR 410.A OG1 no hydrogen 3.270 N/A PHE 435.A N LYS 431.A O no hydrogen 2.952 N/A GLY 436.A N ILE 433.A O no hydrogen 2.958 N/A LEU 437.A N ILE 433.A O no hydrogen 2.856 N/A LEU 437.A N ASN 434.A O no hydrogen 3.026 N/A GLY 440.A N LEU 437.A O no hydrogen 2.979 N/A MET 441.A N GLY 436.A O no hydrogen 2.823 N/A GLY 445.A N SER 442.A OG no hydrogen 3.208 N/A LEU 446.A N SER 442.A O no hydrogen 2.840 N/A ALA 447.A N ALA 443.A O no hydrogen 3.127 N/A ARG 448.A N PHE 444.A O no hydrogen 2.970 N/A GLN 449.A N LEU 446.A O no hydrogen 3.042 N/A GLN 449.A NE2 GLY 445.A O no hydrogen 3.274 N/A LEU 450.A N LEU 446.A O no hydrogen 2.860 N/A LEU 450.A N ALA 447.A O no hydrogen 3.192 N/A ASN 451.A N ALA 447.A O no hydrogen 2.814 N/A ILE 452.A N ALA 447.A O no hydrogen 3.432 N/A GLU 456.A N PRO 453.A O no hydrogen 3.256 N/A ALA 457.A N PRO 453.A O no hydrogen 3.397 N/A GLN 458.A NE2 ASP 462.A OD1 no hydrogen 2.816 N/A TYR 460.A N GLU 456.A O no hydrogen 3.056 N/A MET 461.A N ALA 457.A O no hydrogen 2.965 N/A ASP 462.A N GLN 458.A O no hydrogen 2.962 N/A LEU 463.A N LYS 459.A O no hydrogen 3.181 N/A TYR 464.A N TYR 460.A O no hydrogen 3.075 N/A TYR 464.A OH ASN 434.A OD1 no hydrogen 2.934 N/A PHE 465.A N MET 461.A O no hydrogen 3.185 N/A GLU 466.A N ASP 462.A O no hydrogen 3.076 N/A ARG 467.A N LEU 463.A O no hydrogen 3.178 N/A ARG 467.A NH2 GLU 466.A OE2 no hydrogen 2.878 N/A TYR 468.A N TYR 464.A O no hydrogen 2.554 N/A VAL 471.A N TYR 468.A O no hydrogen 3.411 N/A LEU 472.A N PRO 469.A O no hydrogen 3.150 N/A GLU 473.A N PRO 469.A O no hydrogen 3.143 N/A TYR 474.A N GLY 470.A O no hydrogen 3.035 N/A TYR 474.A OH ILE 517.A O no hydrogen 2.782 N/A MET 475.A N VAL 471.A O no hydrogen 2.958 N/A GLU 476.A N LEU 472.A O no hydrogen 2.822 N/A ARG 477.A N GLU 473.A O no hydrogen 2.967 N/A THR 478.A N TYR 474.A O no hydrogen 2.954 N/A THR 478.A OG1 TYR 474.A O no hydrogen 3.001 N/A ARG 479.A N MET 475.A O no hydrogen 3.263 N/A ALA 480.A N GLU 476.A O no hydrogen 3.036 N/A GLN 481.A N ARG 477.A O no hydrogen 3.163 N/A ALA 482.A N THR 478.A O no hydrogen 3.098 N/A LYS 483.A N ARG 479.A O no hydrogen 3.308 N/A LYS 483.A N ALA 480.A O no hydrogen 2.892 N/A LYS 483.A NZ ILE 501.A O no hydrogen 3.120 N/A LYS 483.A NZ GLU 513.A OE2 no hydrogen 2.979 N/A GLU 484.A N ALA 480.A O no hydrogen 2.993 N/A GLN 485.A N GLN 481.A O no hydrogen 2.853 N/A GLN 485.A NE2 TYR 487.A O no hydrogen 3.472 N/A VAL 488.A N LEU 496.A O no hydrogen 3.058 N/A THR 490.A N ARG 494.A O no hydrogen 2.885 N/A THR 490.A OG1 ASP 527.A OD2 no hydrogen 2.722 N/A LEU 491.A N THR 524.A OG1 no hydrogen 3.328 N/A GLY 493.A N THR 490.A O no hydrogen 3.066 N/A ARG 494.A N THR 490.A OG1 no hydrogen 3.073 N/A ARG 494.A NH1 GLU 207.A OE2 no hydrogen 2.813 N/A ARG 494.A NH1 ASP 527.A OD1 no hydrogen 2.733 N/A ARG 494.A NH2 GLU 207.A OE2 no hydrogen 2.601 N/A ARG 495.A NH1 TYR 497.A OH no hydrogen 3.133 N/A LEU 496.A N VAL 488.A O no hydrogen 3.035 N/A LEU 498.A N GLY 486.A O no hydrogen 2.825 N/A ILE 501.A N LEU 498.A O no hydrogen 3.337 N/A SER 503.A N ASP 500.A O no hydrogen 3.009 N/A SER 504.A OG SER 503.A O no hydrogen 2.586 N/A ARG 508.A N ASN 505.A OD1 no hydrogen 3.215 N/A ARG 509.A N ASN 505.A O no hydrogen 3.096 N/A ALA 510.A N GLY 506.A O no hydrogen 2.869 N/A ALA 510.A N ALA 507.A O no hydrogen 3.134 N/A ALA 511.A N ALA 507.A O no hydrogen 2.963 N/A ALA 512.A N ARG 508.A O no hydrogen 2.957 N/A GLU 513.A N ALA 510.A O no hydrogen 2.992 N/A ARG 514.A N ALA 510.A O no hydrogen 3.065 N/A ALA 515.A N ALA 511.A O no hydrogen 2.867 N/A ALA 516.A N ALA 512.A O no hydrogen 3.332 N/A ILE 517.A N GLU 513.A O no hydrogen 3.431 N/A ASN 518.A N ARG 514.A O no hydrogen 2.968 N/A ASN 518.A ND2 ILE 438.A O no hydrogen 3.021 N/A ALA 519.A N ALA 515.A O no hydrogen 2.875 N/A MET 521.A N ASN 518.A O no hydrogen 2.947 N/A GLN 522.A N ASN 518.A O no hydrogen 3.054 N/A GLY 523.A N ALA 519.A O no hydrogen 2.720 N/A THR 524.A N PRO 520.A O no hydrogen 3.301 N/A THR 524.A OG1 PRO 520.A O no hydrogen 2.338 N/A ALA 525.A N MET 521.A O no hydrogen 3.049 N/A ALA 526.A N GLN 522.A O no hydrogen 2.874 N/A ASP 527.A N GLY 523.A O no hydrogen 2.845 N/A ILE 528.A N THR 524.A O no hydrogen 3.046 N/A ILE 529.A N ALA 525.A O no hydrogen 2.883 N/A LYS 530.A N ALA 526.A O no hydrogen 2.988 N/A LYS 530.A NZ GLU 207.A OE1 no hydrogen 3.114 N/A LYS 530.A NZ GLU 207.A OE2 no hydrogen 2.858 N/A LYS 530.A NZ GLY 340.A O no hydrogen 2.774 N/A ARG 531.A N ASP 527.A O no hydrogen 2.996 N/A ARG 531.A NH1 ASP 492.A OD2 no hydrogen 3.123 N/A ALA 532.A N ILE 528.A O no hydrogen 2.930 N/A MET 533.A N ILE 529.A O no hydrogen 2.993 N/A ILE 534.A N LYS 530.A O no hydrogen 2.949 N/A ALA 535.A N ARG 531.A O no hydrogen 2.918 N/A VAL 536.A N ALA 532.A O no hydrogen 2.688 N/A ASP 537.A N MET 533.A O no hydrogen 2.794 N/A ALA 538.A N ILE 534.A O no hydrogen 2.967 N/A TRP 539.A N ALA 535.A O no hydrogen 3.291 N/A LEU 540.A N VAL 536.A O no hydrogen 3.023 N/A GLN 541.A N ASP 537.A O no hydrogen 2.791 N/A ALA 542.A N ALA 538.A O no hydrogen 2.894 N/A GLU 543.A N TRP 539.A O no hydrogen 2.718 N/A GLN 544.A N LEU 540.A O no hydrogen 2.796 N/A ARG 546.A NE ASP 565.A OD2 no hydrogen 2.909 N/A ARG 546.A NH2 ASP 565.A OD1 no hydrogen 3.213 N/A ARG 546.A NH2 ASP 565.A OD2 no hydrogen 3.308 N/A ARG 548.A N GLU 560.A O no hydrogen 3.029 N/A ARG 548.A NE GLU 560.A OE1 no hydrogen 3.327 N/A ARG 548.A NH2 GLU 560.A OE1 no hydrogen 3.377 N/A ILE 550.A N VAL 558.A O no hydrogen 2.821 N/A MET 551.A N VAL 558.A O no hydrogen 3.254 N/A GLN 552.A N TYR 332.A OH no hydrogen 2.824 N/A VAL 553.A N GLU 556.A O no hydrogen 3.161 N/A GLU 556.A N VAL 553.A O no hydrogen 2.950 N/A LEU 557.A N ALA 377.A O no hydrogen 2.870 N/A VAL 558.A N MET 551.A O no hydrogen 3.004 N/A PHE 559.A N VAL 375.A O no hydrogen 2.760 N/A GLU 560.A N ARG 548.A O no hydrogen 2.962 N/A VAL 561.A N VAL 373.A O no hydrogen 2.872 N/A HIS 562.A N ARG 546.A O no hydrogen 3.054 N/A LYS 563.A N ASP 371.A O no hydrogen 3.017 N/A LYS 563.A NZ ASP 564.A OD1 no hydrogen 3.505 N/A ASP 564.A N HIS 562.A ND1 no hydrogen 3.326 N/A ASP 565.A N HIS 562.A O no hydrogen 2.755 N/A VAL 569.A N ASP 565.A O no hydrogen 3.013 N/A ALA 570.A N VAL 566.A O no hydrogen 2.865 N/A LYS 571.A N ASP 567.A O no hydrogen 3.070 N/A GLN 572.A N ALA 568.A O no hydrogen 2.956 N/A ILE 573.A N VAL 569.A O no hydrogen 2.838 N/A HIS 574.A N ALA 570.A O no hydrogen 3.092 N/A GLN 575.A N LYS 571.A O no hydrogen 3.024 N/A LEU 576.A N GLN 572.A O no hydrogen 2.995 N/A MET 577.A N ILE 573.A O no hydrogen 2.972 N/A GLU 578.A N HIS 574.A O no hydrogen 3.253 N/A ASN 579.A N GLN 575.A O no hydrogen 2.918 N/A CYS 580.A N LEU 576.A O no hydrogen 2.952 N/A THR 581.A OG1 MET 577.A O no hydrogen 3.227 N/A ARG 582.A NE ASP 584.A OD1 no hydrogen 2.867 N/A ARG 582.A NE ASP 584.A OD2 no hydrogen 3.316 N/A ARG 582.A NH2 ASP 584.A OD2 no hydrogen 2.828 N/A VAL 585.A N ASP 584.A OD1 no hydrogen 3.077 N/A VAL 589.A N GLU 578.A OE1 no hydrogen 3.129 N/A GLU 590.A N ASP 378.A O no hydrogen 2.754 N/A GLY 592.A N SER 376.A O no hydrogen 2.736 N/A GLY 594.A N ILE 374.A O no hydrogen 3.008 N/A GLU 595.A N GLN 599.A OE1 no hydrogen 3.156 N/A TRP 597.A N PHE 366.A O no hydrogen 2.873 N/A TRP 597.A NE1 GLU 556.A OE1 no hydrogen 3.327 N/A GLN 599.A N ASN 596.A OD1 no hydrogen 3.022 N/A ALA 600.A N ASN 596.A O no hydrogen 3.095 N/A HIS 601.A N TRP 597.A O no hydrogen 2.883 N/A