Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mr5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG ARG 367.A O no hydrogen 3.519 N/A SER 2.A OG GLU 371.A OE1 no hydrogen 2.736 N/A SER 3.A N ARG 367.A O no hydrogen 3.305 N/A ARG 4.A NH1 GLU 335.A OE2 no hydrogen 3.323 N/A ARG 4.A NH2 GLU 335.A OE1 no hydrogen 2.496 N/A ARG 4.A NH2 GLU 335.A OE2 no hydrogen 3.414 N/A VAL 5.A N PHE 365.A O no hydrogen 3.292 N/A LEU 7.A N LEU 363.A O no hydrogen 3.078 N/A PHE 8.A N LEU 363.A O no hydrogen 2.885 N/A LYS 9.A N SER 13.A OG no hydrogen 2.876 N/A ARG 10.A N SER 362.A OG no hydrogen 2.640 N/A ARG 10.A NH1 VAL 360.A O no hydrogen 2.914 N/A GLN 11.A N HIS 29.A O no hydrogen 2.967 N/A SER 12.A N LYS 9.A O no hydrogen 3.024 N/A SER 13.A N LYS 9.A O no hydrogen 2.931 N/A SER 13.A OG LYS 9.A O no hydrogen 3.436 N/A VAL 15.A N ARG 26.A O no hydrogen 3.096 N/A PHE 17.A N THR 24.A O no hydrogen 2.870 N/A LYS 19.A N LYS 22.A O no hydrogen 2.918 N/A LYS 22.A N LYS 19.A O no hydrogen 3.030 N/A THR 24.A N PHE 17.A O no hydrogen 3.188 N/A ARG 26.A N VAL 15.A O no hydrogen 2.880 N/A ARG 26.A NH2 GLU 52.A OE2 no hydrogen 2.709 N/A VAL 28.A N SER 13.A O no hydrogen 3.316 N/A HIS 29.A N TYR 51.A O no hydrogen 2.771 N/A HIS 29.A ND1 SER 30.A OG no hydrogen 2.718 N/A SER 30.A N ARG 50.A O no hydrogen 3.041 N/A SER 30.A OG HIS 29.A ND1 no hydrogen 2.718 N/A PHE 31.A N TYR 361.A O no hydrogen 2.861 N/A ARG 32.A N ASP 48.A O no hydrogen 3.354 N/A ARG 32.A NE GLU 354.A OE1 no hydrogen 2.764 N/A ARG 32.A NE GLU 354.A OE2 no hydrogen 3.044 N/A ARG 32.A NH1 GLU 354.A OE2 no hydrogen 2.605 N/A LEU 33.A N GLU 354.A OE1 no hydrogen 3.036 N/A ALA 35.A N ILE 46.A O no hydrogen 2.943 N/A LEU 36.A N SER 341.A OG no hydrogen 2.887 N/A VAL 37.A N VAL 44.A O no hydrogen 2.908 N/A VAL 39.A N VAL 42.A O no hydrogen 2.927 N/A VAL 42.A N VAL 39.A O no hydrogen 2.664 N/A MET 43.A N SER 67.A O no hydrogen 2.698 N/A VAL 44.A N VAL 37.A O no hydrogen 3.149 N/A ALA 45.A N LYS 65.A O no hydrogen 2.735 N/A ILE 46.A N ALA 35.A O no hydrogen 2.863 N/A ALA 47.A N VAL 63.A O no hydrogen 2.969 N/A ASP 48.A N ARG 32.A O no hydrogen 2.926 N/A ALA 49.A N ASP 61.A O no hydrogen 3.001 N/A ARG 50.A N SER 30.A O no hydrogen 2.628 N/A ARG 50.A NE ASP 48.A OD2 no hydrogen 2.891 N/A ARG 50.A NH1 SER 54.A O no hydrogen 2.802 N/A ARG 50.A NH1 ASP 56.A OD2 no hydrogen 2.962 N/A ARG 50.A NH2 ASP 48.A OD2 no hydrogen 2.763 N/A TYR 51.A OH ASP 61.A OD2 no hydrogen 2.372 N/A SER 54.A OG GLU 359.A O no hydrogen 3.023 N/A PHE 55.A N THR 53.A OG1 no hydrogen 3.116 N/A ASN 57.A ND2 SER 113.A O no hydrogen 3.044 N/A ASN 57.A ND2 SER 115.A O no hydrogen 2.752 N/A SER 58.A N ASP 56.A O no hydrogen 3.185 N/A SER 58.A OG PHE 55.A O no hydrogen 2.847 N/A ILE 60.A N SER 89.A O no hydrogen 3.215 N/A ASP 61.A N ALA 49.A O no hydrogen 3.202 N/A THR 62.A N ILE 80.A O no hydrogen 2.878 N/A VAL 63.A N ALA 47.A O no hydrogen 2.878 N/A ALA 64.A N GLN 77.A O no hydrogen 2.783 N/A LYS 65.A N ALA 45.A O no hydrogen 2.650 N/A LYS 65.A NZ THR 76.A OG1 no hydrogen 2.597 N/A TYR 66.A N GLU 75.A O no hydrogen 3.054 N/A TYR 66.A OH ALA 146.A O no hydrogen 3.242 N/A SER 67.A N MET 43.A O no hydrogen 2.749 N/A SER 67.A OG ASP 69.A OD1 no hydrogen 2.796 N/A SER 67.A OG THR 73.A O no hydrogen 2.937 N/A ASP 69.A N SER 67.A OG no hydrogen 3.093 N/A GLY 71.A N SER 67.A OG no hydrogen 2.715 N/A GLU 72.A N ASP 69.A O no hydrogen 3.150 N/A THR 73.A N ASP 69.A OD1 no hydrogen 2.793 N/A THR 73.A OG1 ASP 69.A OD1 no hydrogen 3.306 N/A THR 73.A OG1 ASP 69.A OD2 no hydrogen 2.520 N/A TRP 74.A NE1 GLY 71.A O no hydrogen 2.991 N/A GLU 75.A N TYR 66.A O no hydrogen 2.811 N/A GLN 77.A N ALA 64.A O no hydrogen 2.978 N/A GLN 77.A NE2 ILE 148.A O no hydrogen 3.361 N/A ALA 79.A N THR 62.A O no hydrogen 2.769 N/A ILE 80.A N THR 62.A O no hydrogen 3.239 N/A ASN 82.A N ASP 61.A OD1 no hydrogen 3.049 N/A SER 83.A OG ASN 111.A OD1 no hydrogen 2.845 N/A ARG 84.A NE GLU 18.A O no hydrogen 2.779 N/A ARG 84.A NH1 GLU 18.A O no hydrogen 3.253 N/A ARG 84.A NH1 ASP 61.A OD1 no hydrogen 3.359 N/A ARG 84.A NH1 ASP 61.A OD2 no hydrogen 2.757 N/A ARG 84.A NH2 ASP 61.A OD1 no hydrogen 2.798 N/A ALA 85.A N SER 83.A OG no hydrogen 3.301 N/A SER 86.A N SER 89.A OG no hydrogen 3.007 N/A SER 86.A OG ASN 111.A O no hydrogen 3.105 N/A VAL 88.A N SER 86.A OG no hydrogen 3.188 N/A SER 89.A N SER 86.A O no hydrogen 3.032 N/A SER 89.A OG SER 83.A OG no hydrogen 3.394 N/A SER 89.A OG SER 86.A O no hydrogen 3.242 N/A SER 89.A OG ASN 111.A O no hydrogen 2.679 N/A ARG 90.A N TYR 110.A O no hydrogen 3.157 N/A ARG 90.A NH1 VAL 88.A O no hydrogen 2.865 N/A ARG 90.A NH1 SER 113.A O no hydrogen 3.327 N/A ARG 90.A NH2 SER 113.A OG no hydrogen 2.840 N/A VAL 91.A N ILE 60.A O no hydrogen 3.236 N/A VAL 92.A N GLY 108.A O no hydrogen 2.808 N/A THR 95.A N LEU 106.A O no hydrogen 2.958 N/A THR 95.A OG1 ASP 93.A O no hydrogen 3.073 N/A VAL 96.A N GLY 177.A O no hydrogen 3.071 N/A ILE 97.A N TYR 104.A O no hydrogen 2.876 N/A LYS 99.A N LYS 102.A O no hydrogen 3.511 N/A LYS 99.A NZ GLY 185.A O no hydrogen 2.451 N/A LYS 99.A NZ GLU 210.A OE1 no hydrogen 3.176 N/A LYS 99.A NZ GLU 210.A OE2 no hydrogen 3.297 N/A ASN 101.A ND2 VAL 135.A O no hydrogen 3.231 N/A LYS 102.A N LYS 99.A O no hydrogen 3.204 N/A LYS 102.A NZ GLU 134.A OE1 no hydrogen 2.641 N/A LEU 103.A N GLY 133.A O no hydrogen 2.419 N/A TYR 104.A N ILE 97.A O no hydrogen 2.970 N/A VAL 105.A N ALA 131.A O no hydrogen 3.070 N/A LEU 106.A N THR 95.A O no hydrogen 2.874 N/A VAL 107.A N LEU 129.A O no hydrogen 2.809 N/A GLY 108.A N VAL 92.A O no hydrogen 3.067 N/A SER 109.A N ASP 127.A O no hydrogen 3.027 N/A TYR 110.A N ARG 90.A O no hydrogen 2.835 N/A ASN 111.A N ASP 125.A O no hydrogen 3.280 N/A SER 112.A N ASP 125.A OD1 no hydrogen 2.605 N/A SER 113.A N ASP 125.A OD2 no hydrogen 2.800 N/A SER 113.A OG HIS 120.A NE2 no hydrogen 3.330 N/A SER 113.A OG ASP 125.A OD2 no hydrogen 2.623 N/A ARG 114.A NE SER 112.A O no hydrogen 3.099 N/A SER 119.A N TYR 116.A O no hydrogen 2.579 N/A SER 119.A OG TYR 116.A O no hydrogen 2.455 N/A HIS 120.A N TRP 117.A O no hydrogen 3.215 N/A ARG 124.A N ASP 122.A OD1 no hydrogen 3.069 N/A TRP 126.A N ALA 123.A O no hydrogen 3.468 N/A ASP 127.A N SER 109.A O no hydrogen 3.186 N/A ILE 128.A N ASP 127.A OD1 no hydrogen 2.678 N/A LEU 129.A N VAL 107.A O no hydrogen 2.808 N/A LEU 130.A N VAL 154.A O no hydrogen 3.044 N/A ALA 131.A N VAL 105.A O no hydrogen 3.146 N/A GLY 133.A N LEU 103.A O no hydrogen 2.466 N/A GLU 134.A N LYS 149.A O no hydrogen 2.868 N/A VAL 135.A N ASN 101.A O no hydrogen 2.747 N/A THR 136.A N SER 147.A O no hydrogen 2.854 N/A LYS 137.A NZ ASP 40.A O no hydrogen 2.584 N/A LYS 137.A NZ ASP 40.A OD2 no hydrogen 2.824 N/A SER 138.A N THR 145.A O no hydrogen 2.984 N/A ALA 140.A N SER 138.A OG no hydrogen 3.174 N/A LYS 143.A N ALA 140.A O no hydrogen 3.246 N/A THR 145.A N SER 138.A O no hydrogen 3.061 N/A SER 147.A N THR 136.A O no hydrogen 2.921 N/A LYS 149.A N GLU 134.A O no hydrogen 2.978 N/A TRP 150.A NE1 GLN 77.A OE1 no hydrogen 2.944 N/A GLY 151.A N VAL 132.A O no hydrogen 3.030 N/A VAL 154.A N LEU 130.A O no hydrogen 2.691 N/A SER 155.A OG ASP 127.A OD1 no hydrogen 2.506 N/A SER 155.A OG ASP 127.A OD2 no hydrogen 3.105 N/A LEU 156.A N ILE 128.A O no hydrogen 2.818 N/A LYS 157.A N SER 155.A OG no hydrogen 3.014 N/A PHE 159.A N LEU 156.A O no hydrogen 3.058 N/A PHE 160.A N LYS 157.A O no hydrogen 3.076 N/A MET 164.A N MET 167.A O no hydrogen 3.389 N/A MET 167.A N MET 164.A O no hydrogen 2.995 N/A THR 169.A N ALA 162.A O no hydrogen 2.899 N/A THR 169.A OG1 PRO 161.A O no hydrogen 2.440 N/A ASN 170.A N THR 194.A O no hydrogen 2.827 N/A ASN 170.A ND2 ASP 122.A O no hydrogen 3.377 N/A GLN 171.A N THR 194.A OG1 no hydrogen 2.943 N/A LEU 173.A N GLN 192.A O no hydrogen 2.829 N/A GLY 175.A N PRO 190.A O no hydrogen 3.294 N/A ALA 176.A N THR 95.A OG1 no hydrogen 2.908 N/A ALA 179.A N VAL 96.A O no hydrogen 2.689 N/A ILE 180.A N VAL 188.A O no hydrogen 3.428 N/A ALA 182.A N ASN 186.A O no hydrogen 2.824 N/A SER 183.A N GLU 232.A OE1 no hydrogen 2.686 N/A GLY 185.A N ALA 182.A O no hydrogen 2.937 N/A ASN 186.A N ASN 184.A OD1 no hydrogen 2.933 N/A LEU 187.A N SER 207.A O no hydrogen 2.876 N/A VAL 188.A N ILE 180.A O no hydrogen 2.864 N/A TYR 189.A N PHE 205.A O no hydrogen 2.953 N/A TYR 189.A OH THR 95.A O no hydrogen 3.234 N/A TYR 189.A OH TYR 104.A O no hydrogen 2.910 N/A VAL 191.A N LYS 203.A O no hydrogen 2.546 N/A GLN 192.A N LEU 173.A O no hydrogen 2.970 N/A GLN 192.A NE2 GLY 174.A O no hydrogen 3.224 N/A VAL 193.A N PHE 201.A O no hydrogen 2.690 N/A THR 194.A N GLN 171.A O no hydrogen 2.796 N/A THR 194.A OG1 GLN 171.A O no hydrogen 3.198 N/A ASN 195.A N GLN 199.A O no hydrogen 3.437 N/A ASN 195.A ND2 GLN 199.A OE1 no hydrogen 3.048 N/A LYS 196.A N HIS 168.A O no hydrogen 3.019 N/A LYS 196.A NZ GLY 121.A O no hydrogen 2.800 N/A LYS 197.A NZ GLY 166.A O no hydrogen 3.457 N/A LYS 198.A N ASN 195.A O no hydrogen 2.765 N/A LYS 198.A NZ SER 119.A O no hydrogen 2.727 N/A GLN 199.A N ASN 195.A OD1 no hydrogen 2.884 N/A PHE 201.A N VAL 193.A O no hydrogen 2.824 N/A SER 202.A N SER 221.A OG no hydrogen 2.994 N/A SER 202.A OG CYS 225.A O no hydrogen 2.887 N/A LYS 203.A N VAL 191.A O no hydrogen 2.755 N/A LYS 203.A NZ GLY 217.A O no hydrogen 2.366 N/A LYS 203.A NZ GLY 219.A O no hydrogen 2.204 N/A PHE 205.A N TYR 189.A O no hydrogen 2.861 N/A TYR 206.A N LYS 215.A O no hydrogen 2.845 N/A SER 207.A N LEU 187.A O no hydrogen 3.035 N/A SER 207.A OG ASP 209.A OD2 no hydrogen 2.590 N/A SER 207.A OG THR 213.A O no hydrogen 2.847 N/A ASP 209.A N SER 207.A OG no hydrogen 2.960 N/A GLY 211.A N SER 207.A OG no hydrogen 2.910 N/A LYS 212.A N ASP 209.A O no hydrogen 3.096 N/A THR 213.A N ASP 209.A OD1 no hydrogen 3.240 N/A THR 213.A N ASP 209.A OD2 no hydrogen 2.570 N/A THR 213.A OG1 ASP 209.A OD1 no hydrogen 2.560 N/A THR 213.A OG1 ASP 209.A OD2 no hydrogen 3.367 N/A TRP 214.A NE1 GLY 211.A O no hydrogen 3.125 N/A LYS 215.A N TYR 206.A O no hydrogen 2.823 N/A LYS 215.A NZ TYR 206.A OH no hydrogen 3.271 N/A GLY 217.A N ILE 204.A O no hydrogen 3.002 N/A GLY 219.A N GLY 257.A O no hydrogen 2.934 N/A ARG 220.A NH1 SER 221.A O no hydrogen 3.033 N/A SER 221.A N SER 202.A O no hydrogen 3.152 N/A SER 221.A OG SER 202.A O no hydrogen 3.526 N/A SER 221.A OG ALA 222.A O no hydrogen 2.868 N/A ALA 222.A N TYR 251.A OH no hydrogen 2.790 N/A GLY 224.A N VAL 200.A O no hydrogen 2.786 N/A CYS 225.A SG ALA 222.A O no hydrogen 3.301 N/A CYS 225.A SG THR 241.A OG1 no hydrogen 3.456 N/A SER 226.A N ARG 242.A O no hydrogen 2.803 N/A SER 226.A OG ARG 242.A O no hydrogen 3.501 N/A GLU 227.A N GLN 192.A OE1 no hydrogen 3.106 N/A VAL 229.A N ASN 240.A O no hydrogen 2.801 N/A LEU 231.A N ILE 238.A O no hydrogen 3.165 N/A TRP 233.A N LYS 236.A O.A no hydrogen 2.763 N/A TRP 233.A N LYS 236.A O.B no hydrogen 2.763 N/A LYS 236.A N.A TRP 233.A O no hydrogen 2.950 N/A LYS 236.A N.B TRP 233.A O no hydrogen 2.950 N/A LEU 237.A N SER 253.A O no hydrogen 2.806 N/A ILE 238.A N LEU 231.A O no hydrogen 2.693 N/A ILE 239.A N TYR 251.A O no hydrogen 2.780 N/A ASN 240.A N VAL 229.A O no hydrogen 2.696 N/A THR 241.A N LEU 249.A O no hydrogen 3.101 N/A THR 241.A OG1 LEU 249.A O no hydrogen 2.790 N/A ARG 242.A N SER 226.A O no hydrogen 3.069 N/A ARG 242.A NE ASP 244.A OD2 no hydrogen 2.960 N/A ARG 242.A NH1 GLU 227.A OE1 no hydrogen 2.547 N/A ARG 242.A NH2 ASP 244.A OD2 no hydrogen 3.027 N/A TYR 245.A N GLN 279.A O no hydrogen 2.669 N/A ARG 246.A N VAL 243.A O no hydrogen 3.329 N/A ARG 246.A NH1 TYR 245.A O no hydrogen 2.684 N/A ARG 247.A NH1 ARG 269.A O no hydrogen 2.832 N/A ARG 247.A NH1 VAL 270.A O no hydrogen 3.133 N/A ARG 247.A NH1 GLN 459.A O no hydrogen 3.148 N/A ARG 247.A NH2 GLY 458.A O no hydrogen 2.991 N/A ARG 247.A NH2 GLN 459.A O no hydrogen 2.841 N/A ARG 248.A N TRP 271.A O no hydrogen 3.049 N/A ARG 248.A NE ASN 240.A OD1 no hydrogen 2.916 N/A ARG 248.A NH1 SER 282.A O no hydrogen 3.027 N/A ARG 248.A NH2 ASN 240.A OD1 no hydrogen 2.923 N/A VAL 250.A N SER 268.A OG no hydrogen 2.874 N/A TYR 251.A N ILE 239.A O no hydrogen 2.995 N/A GLU 252.A N LEU 261.A O no hydrogen 2.735 N/A SER 253.A N LEU 237.A O no hydrogen 3.013 N/A SER 253.A OG ASP 255.A OD1 no hydrogen 3.024 N/A SER 253.A OG THR 259.A O no hydrogen 2.846 N/A GLY 257.A N SER 253.A OG no hydrogen 2.836 N/A ASN 258.A N ASP 255.A O no hydrogen 3.003 N/A THR 259.A N ASP 255.A OD1 no hydrogen 2.921 N/A THR 259.A OG1 ASP 255.A OD2 no hydrogen 2.672 N/A LEU 261.A N GLU 252.A O no hydrogen 2.977 N/A ALA 263.A N VAL 250.A O no hydrogen 2.600 N/A VAL 264.A N GLU 262.A O no hydrogen 2.780 N/A THR 266.A N ALA 263.A O no hydrogen 3.049 N/A LEU 267.A N ALA 263.A O no hydrogen 3.262 N/A SER 268.A N ALA 263.A O no hydrogen 3.171 N/A SER 268.A OG GLU 262.A OE2 no hydrogen 2.524 N/A ARG 269.A N ARG 248.A O no hydrogen 2.880 N/A ARG 269.A NE GLU 262.A OE2 no hydrogen 2.722 N/A ARG 269.A NH1 GLU 262.A OE1 no hydrogen 2.826 N/A ARG 269.A NH1 GLU 262.A OE2 no hydrogen 3.158 N/A VAL 270.A N LEU 267.A O no hydrogen 3.279 N/A GLY 272.A N GLN 459.A O no hydrogen 2.960 N/A SER 274.A OG ASN 278.A OD1 no hydrogen 3.253 N/A SER 277.A N SER 274.A O no hydrogen 2.748 N/A ASN 278.A N SER 274.A OG no hydrogen 3.421 N/A GLN 279.A NE2 ASN 278.A OD1 no hydrogen 3.360 N/A GLY 281.A N ASP 244.A OD2 no hydrogen 2.906 N/A SER 282.A OG GLN 283.A O no hydrogen 2.818 N/A SER 282.A OG ALA 338.A O no hydrogen 3.475 N/A GLN 283.A NE2 SER 340.A O no hydrogen 2.985 N/A SER 284.A OG THR 300.A O no hydrogen 2.853 N/A SER 285.A N THR 300.A OG1 no hydrogen 3.068 N/A THR 287.A N LEU 298.A O no hydrogen 3.159 N/A VAL 289.A N VAL 296.A O no hydrogen 2.714 N/A ILE 291.A N MET 294.A O.A no hydrogen 2.883 N/A ILE 291.A N MET 294.A O.B no hydrogen 2.848 N/A MET 294.A N.A ILE 291.A O no hydrogen 3.132 N/A MET 294.A N.B ILE 291.A O no hydrogen 3.134 N/A ARG 295.A NH1 THR 290.A OG1 no hydrogen 2.945 N/A VAL 296.A N VAL 289.A O no hydrogen 2.750 N/A MET 297.A N THR 319.A O no hydrogen 2.864 N/A LEU 298.A N THR 287.A O no hydrogen 2.950 N/A PHE 299.A N TRP 317.A O no hydrogen 2.862 N/A THR 300.A N SER 285.A O no hydrogen 3.060 N/A THR 300.A OG1 SER 340.A OG no hydrogen 3.065 N/A HIS 301.A N ASN 315.A O no hydrogen 3.062 N/A HIS 301.A ND1 PRO 302.A O no hydrogen 2.767 N/A LEU 303.A N ARG 313.A O no hydrogen 2.830 N/A ASN 304.A N ASP 312.A O no hydrogen 2.936 N/A ASN 304.A ND2 PRO 273.A O no hydrogen 3.509 N/A ASN 304.A ND2 PRO 280.A O no hydrogen 3.584 N/A ASN 304.A ND2 ARG 308.A O no hydrogen 3.247 N/A LYS 306.A N ASP 312.A OD2 no hydrogen 2.698 N/A LYS 306.A NZ ASP 334.A O no hydrogen 3.001 N/A LYS 306.A NZ ASN 336.A OD1 no hydrogen 2.779 N/A GLY 307.A N ASN 304.A OD1 no hydrogen 2.975 N/A ARG 308.A N GLN 279.A OE1 no hydrogen 3.086 N/A LEU 310.A N GLY 307.A O no hydrogen 3.247 N/A ARG 311.A N ASN 304.A OD1 no hydrogen 3.026 N/A ARG 311.A NE GLY 281.A O no hydrogen 3.435 N/A ARG 311.A NH1 TRP 309.A O no hydrogen 3.443 N/A ARG 311.A NH2 GLY 281.A O no hydrogen 2.931 N/A ARG 313.A NH1 ASP 312.A OD1 no hydrogen 2.794 N/A LEU 314.A N SER 331.A OG no hydrogen 3.197 N/A LEU 314.A N SER 337.A OG no hydrogen 3.346 N/A ASN 315.A N HIS 301.A O no hydrogen 2.781 N/A ASN 315.A ND2 ARG 313.A O no hydrogen 3.177 N/A LEU 316.A N GLY 328.A O no hydrogen 3.040 N/A TRP 317.A N PHE 299.A O no hydrogen 2.740 N/A LEU 318.A N TYR 325.A O no hydrogen 2.915 N/A THR 319.A N MET 297.A O no hydrogen 3.095 N/A THR 319.A OG1 ARG 323.A O no hydrogen 2.575 N/A ASN 321.A N THR 319.A OG1 no hydrogen 2.717 N/A GLN 322.A N ASP 320.A OD2 no hydrogen 2.841 N/A GLN 322.A NE2 ASP 320.A OD1 no hydrogen 2.934 N/A ARG 323.A N ASP 320.A OD2 no hydrogen 2.617 N/A ARG 323.A NE LEU 407.A O no hydrogen 2.815 N/A ARG 323.A NH1 ASP 386.A OD2 no hydrogen 2.634 N/A ARG 323.A NH2 ASP 386.A OD1 no hydrogen 2.667 N/A ARG 323.A NH2 ASP 386.A OD2 no hydrogen 3.151 N/A ARG 323.A NH2 LEU 407.A O no hydrogen 3.008 N/A TYR 325.A N LEU 318.A O no hydrogen 2.765 N/A ASN 326.A ND2 ASN 315.A OD1 no hydrogen 3.658 N/A VAL 327.A N LEU 316.A O no hydrogen 2.798 N/A GLY 328.A N LEU 316.A O no hydrogen 3.457 N/A GLN 329.A NE2 SER 331.A O no hydrogen 2.989 N/A GLN 329.A NE2 GLY 333.A O no hydrogen 2.629 N/A VAL 330.A N LEU 314.A O no hydrogen 2.685 N/A SER 331.A OG SER 337.A OG no hydrogen 3.231 N/A ILE 332.A N GLU 335.A OE1 no hydrogen 2.797 N/A GLU 335.A N ILE 332.A O no hydrogen 3.153 N/A ASN 336.A ND2 ASN 356.A O no hydrogen 3.151 N/A SER 337.A N ARG 311.A O no hydrogen 2.991 N/A SER 337.A OG SER 337.A O no hydrogen 2.641 N/A TYR 339.A OH GLU 227.A OE2 no hydrogen 2.966 N/A SER 340.A N GLN 283.A OE1 no hydrogen 2.969 N/A SER 340.A OG THR 300.A OG1 no hydrogen 3.065 N/A VAL 342.A N SER 285.A OG no hydrogen 3.089 N/A LEU 343.A N TYR 350.A O no hydrogen 2.890 N/A TYR 344.A OH ASP 347.A OD2 no hydrogen 2.163 N/A LYS 345.A N LYS 348.A O no hydrogen 2.977 N/A LYS 345.A NZ ASP 346.A OD2 no hydrogen 2.919 N/A LYS 348.A N LYS 345.A O no hydrogen 2.806 N/A TYR 350.A N LEU 343.A O no hydrogen 2.854 N/A CYS 351.A N ALA 366.A O no hydrogen 2.995 N/A CYS 351.A SG SER 341.A O no hydrogen 3.682 N/A LEU 352.A N SER 341.A O no hydrogen 2.798 N/A HIS 353.A N VAL 364.A O no hydrogen 3.082 N/A HIS 353.A ND1 GLU 354.A O no hydrogen 2.744 N/A GLU 354.A N TYR 339.A O no hydrogen 2.982 N/A ILE 355.A N SER 362.A O no hydrogen 2.923 N/A ASN 356.A N ASN 336.A O no hydrogen 2.911 N/A SER 357.A N VAL 360.A O no hydrogen 3.142 N/A VAL 360.A N SER 357.A O no hydrogen 2.745 N/A TYR 361.A N SER 30.A OG no hydrogen 3.085 N/A TYR 361.A OH GLU 359.A OE1 no hydrogen 2.376 N/A SER 362.A N ILE 355.A O no hydrogen 3.067 N/A SER 362.A OG GLU 6.A OE2 no hydrogen 2.628 N/A LEU 363.A N PHE 8.A O no hydrogen 2.833 N/A VAL 364.A N HIS 353.A O no hydrogen 2.757 N/A PHE 365.A N VAL 5.A O no hydrogen 2.989 N/A ALA 366.A N CYS 351.A O no hydrogen 2.952 N/A ARG 367.A N SER 3.A O no hydrogen 2.745 N/A ARG 367.A NH1 ASP 70.A O no hydrogen 3.281 N/A ARG 367.A NH2 GLY 71.A O no hydrogen 3.401 N/A LEU 368.A N LEU 349.A O no hydrogen 2.741 N/A VAL 369.A N ARG 367.A O no hydrogen 2.978 N/A GLY 370.A N SER 2.A OG no hydrogen 3.069 N/A GLU 371.A N GLU 371.A OE1 no hydrogen 2.817 N/A LEU 372.A N LEU 368.A O no hydrogen 3.272 N/A ARG 373.A N VAL 369.A O no hydrogen 3.164 N/A ILE 374.A N GLY 370.A O no hydrogen 3.213 N/A ILE 375.A N GLU 371.A O no hydrogen 2.954 N/A LYS 376.A N LEU 372.A O no hydrogen 2.998 N/A LYS 376.A NZ ASP 347.A OD1 no hydrogen 3.020 N/A SER 377.A N ARG 373.A O no hydrogen 3.189 N/A VAL 378.A N ILE 374.A O no hydrogen 3.000 N/A LEU 379.A N ILE 375.A O no hydrogen 2.834 N/A GLN 380.A N LYS 376.A O no hydrogen 2.899 N/A GLN 380.A N SER 377.A O no hydrogen 3.220 N/A GLN 380.A NE2 GLN 380.A O no hydrogen 3.573 N/A SER 381.A N SER 377.A O no hydrogen 2.957 N/A SER 381.A OG SER 377.A O no hydrogen 3.412 N/A TRP 382.A N VAL 378.A O no hydrogen 2.953 N/A TRP 382.A NE1 TYR 424.A O no hydrogen 2.999 N/A LYS 383.A N LEU 379.A O no hydrogen 3.060 N/A ASN 384.A N GLN 380.A O no hydrogen 2.987 N/A TRP 385.A N SER 381.A O no hydrogen 3.108 N/A ASP 386.A N TRP 382.A O no hydrogen 3.020 N/A SER 387.A N LYS 383.A O no hydrogen 2.792 N/A HIS 388.A N ASN 384.A O no hydrogen 3.030 N/A HIS 388.A NE2 ILE 615.A O no hydrogen 2.471 N/A LEU 389.A N TRP 385.A O no hydrogen 3.189 N/A SER 390.A N ASP 386.A O no hydrogen 2.868 N/A SER 391.A N SER 387.A O no hydrogen 2.733 N/A SER 391.A N HIS 388.A O no hydrogen 3.156 N/A SER 391.A OG SER 387.A O no hydrogen 2.146 N/A ILE 392.A N LEU 389.A O no hydrogen 3.296 N/A CYS 393.A SG THR 394.A O no hydrogen 3.977 N/A CYS 393.A SG GLY 397.A O no hydrogen 3.161 N/A THR 394.A OG1 PRO 400.A O no hydrogen 3.136 N/A GLY 399.A N THR 394.A O no hydrogen 2.778 N/A VAL 405.A N THR 403.A OG1 no hydrogen 3.045 N/A GLY 406.A N GLN 322.A OE1 no hydrogen 2.945 N/A LEU 407.A N THR 404.A O no hydrogen 3.213 N/A VAL 408.A N LEU 595.A O no hydrogen 2.744 N/A GLY 409.A N LEU 595.A O no hydrogen 3.427 N/A PHE 410.A N ASP 422.A OD1 no hydrogen 3.265 N/A LEU 411.A N VAL 593.A O no hydrogen 2.961 N/A SER 412.A OG THR 617.A OG1 no hydrogen 3.100 N/A HIS 413.A N SER 412.A OG no hydrogen 2.540 N/A HIS 413.A N THR 617.A OG1 no hydrogen 3.184 N/A THR 416.A N GLU 419.A O no hydrogen 2.785 N/A THR 416.A OG1 GLU 421.A OE2 no hydrogen 3.272 N/A TRP 420.A N ALA 429.A O no hydrogen 2.630 N/A TRP 420.A NE1 SER 412.A O no hydrogen 3.247 N/A GLU 421.A N SER 414.A O no hydrogen 3.150 N/A ASP 422.A N ASN 428.A OD1 no hydrogen 3.029 N/A ALA 423.A N PHE 410.A O no hydrogen 3.010 N/A TYR 424.A N ASP 422.A OD1 no hydrogen 2.928 N/A TYR 424.A OH ASP 386.A OD1 no hydrogen 2.682 N/A ARG 425.A N ASP 422.A O no hydrogen 3.101 N/A ARG 425.A NH2 SER 377.A OG no hydrogen 2.892 N/A ARG 425.A NH2 SER 381.A OG no hydrogen 2.916 N/A CYS 426.A N ASP 422.A OD2 no hydrogen 2.830 N/A CYS 426.A SG ILE 324.A O no hydrogen 3.365 N/A CYS 426.A SG TYR 424.A O no hydrogen 3.274 N/A VAL 427.A N ASP 422.A OD2 no hydrogen 3.167 N/A ALA 429.A N TRP 420.A O no hydrogen 3.169 N/A SER 430.A N LEU 451.A O no hydrogen 3.111 N/A THR 431.A N THR 418.A O no hydrogen 2.856 N/A ALA 432.A N GLY 449.A O no hydrogen 3.117 N/A ASN 433.A ND2 ALA 444.A O no hydrogen 3.091 N/A ASN 433.A ND2 GLY 445.A O no hydrogen 3.433 N/A ASN 433.A ND2 VAL 446.A O no hydrogen 3.340 N/A GLU 435.A N LYS 442.A O no hydrogen 2.851 N/A ARG 436.A NH2 HIS 413.A O no hydrogen 3.171 N/A VAL 437.A N GLY 440.A O no hydrogen 2.996 N/A ASN 439.A N HIS 413.A ND1 no hydrogen 3.377 N/A GLY 440.A N VAL 437.A O no hydrogen 2.754 N/A LEU 441.A N VAL 590.A O no hydrogen 3.107 N/A LYS 442.A N GLU 435.A O no hydrogen 2.746 N/A PHE 443.A N VAL 588.A O no hydrogen 2.767 N/A ALA 444.A N ASN 433.A O no hydrogen 3.350 N/A GLY 445.A N ASP 585.A OD1 no hydrogen 2.992 N/A GLY 448.A N GLY 445.A O no hydrogen 2.862 N/A GLY 449.A N ALA 432.A O no hydrogen 3.398 N/A ALA 450.A N VAL 574.A O no hydrogen 2.774 N/A LEU 451.A N SER 430.A O no hydrogen 2.856 N/A TRP 452.A N PHE 572.A O no hydrogen 2.630 N/A TRP 452.A NE1 VAL 427.A O no hydrogen 2.718 N/A VAL 454.A N SER 570.A O no hydrogen 3.015 N/A SER 455.A N ILE 569.A O no hydrogen 3.279 N/A SER 455.A OG ILE 569.A O no hydrogen 3.193 N/A GLN 456.A N SER 570.A O no hydrogen 3.372 N/A GLN 456.A NE2 SER 570.A OG no hydrogen 3.269 N/A GLN 457.A N VAL 454.A O no hydrogen 2.893 N/A GLN 457.A NE2 PRO 453.A O no hydrogen 2.909 N/A GLY 458.A N SER 455.A O no hydrogen 3.057 N/A GLN 459.A NE2 GLY 272.A O no hydrogen 3.082 N/A GLN 459.A NE2 LEU 303.A O no hydrogen 2.924 N/A GLN 461.A N VAL 270.A O no hydrogen 2.879 N/A GLN 461.A NE2 GLY 458.A O no hydrogen 2.893 N/A ARG 462.A N GLN 457.A OE1 no hydrogen 2.716 N/A ARG 462.A NE ILE 324.A O no hydrogen 3.058 N/A ARG 462.A NH1 GLN 457.A OE1 no hydrogen 3.335 N/A ALA 466.A N TYR 463.A O no hydrogen 2.857 N/A ASN 467.A N HIS 464.A O no hydrogen 3.258 N/A ASN 467.A ND2 HIS 464.A O no hydrogen 3.077 N/A HIS 468.A N PHE 465.A O no hydrogen 2.842 N/A ALA 469.A N PHE 465.A O no hydrogen 3.041 N/A PHE 470.A N MET 539.A O no hydrogen 2.951 N/A THR 471.A N TYR 596.A O no hydrogen 3.229 N/A THR 471.A OG1 ARG 598.A O no hydrogen 2.756 N/A LEU 472.A N LEU 537.A O no hydrogen 2.917 N/A VAL 473.A N LEU 594.A O no hydrogen 2.847 N/A ALA 474.A N VAL 535.A O no hydrogen 2.846 N/A SER 475.A N ASN 591.A O no hydrogen 3.168 N/A SER 475.A OG GLN 612.A OE1 no hydrogen 2.332 N/A VAL 476.A N TYR 533.A O no hydrogen 2.688 N/A THR 477.A N THR 589.A O no hydrogen 2.979 N/A HIS 479.A N ARG 587.A O no hydrogen 2.666 N/A HIS 479.A NE2 THR 589.A OG1 no hydrogen 2.669 N/A SER 486.A N TYR 506.A O no hydrogen 2.831 N/A SER 486.A OG GLY 484.A O no hydrogen 2.516 N/A LEU 488.A N LEU 504.A O no hydrogen 3.069 N/A LEU 489.A N LEU 504.A O no hydrogen 3.497 N/A GLY 490.A N TYR 573.A O no hydrogen 3.057 N/A ALA 491.A N LEU 502.A O no hydrogen 2.874 N/A SER 492.A N HIS 571.A O no hydrogen 2.818 N/A SER 492.A OG ASP 494.A O no hydrogen 2.764 N/A SER 492.A OG LYS 499.A O no hydrogen 3.206 N/A LEU 493.A N LYS 499.A O no hydrogen 2.733 N/A ASP 494.A N SER 492.A OG no hydrogen 3.220 N/A SER 496.A OG ASP 494.A OD1 no hydrogen 3.050 N/A SER 496.A OG ASP 494.A OD2 no hydrogen 3.091 N/A GLY 497.A N ASP 494.A OD1 no hydrogen 2.693 N/A GLY 498.A N SER 496.A OG no hydrogen 3.126 N/A LYS 499.A N ASP 494.A OD1 no hydrogen 3.430 N/A LYS 500.A NZ GLY 497.A O no hydrogen 2.932 N/A LYS 500.A NZ TYR 577.A OH no hydrogen 2.823 N/A LEU 501.A N ALA 491.A O no hydrogen 3.052 N/A GLY 503.A N ILE 515.A O no hydrogen 3.015 N/A LEU 504.A N LEU 489.A O no hydrogen 2.777 N/A SER 505.A N GLN 513.A O no hydrogen 2.641 N/A TYR 506.A N SER 486.A O no hydrogen 2.786 N/A ASP 507.A N GLN 511.A O no hydrogen 3.228 N/A HIS 510.A N ASP 507.A O no hydrogen 3.123 N/A HIS 510.A ND1 TRP 527.A O no hydrogen 3.274 N/A GLN 511.A N ASP 507.A OD1 no hydrogen 2.740 N/A GLN 511.A NE2 GLY 525.A O no hydrogen 2.874 N/A TRP 512.A N THR 524.A O no hydrogen 2.736 N/A GLN 513.A N SER 505.A O no hydrogen 2.819 N/A GLN 513.A NE2 ASP 507.A OD2 no hydrogen 2.833 N/A ILE 515.A N GLY 503.A O no hydrogen 2.771 N/A TYR 516.A OH GLU 554.A O no hydrogen 3.265 N/A GLY 517.A N LEU 501.A O no hydrogen 3.068 N/A THR 519.A N TYR 516.A O no hydrogen 2.794 N/A THR 519.A OG1 TYR 516.A O no hydrogen 3.375 N/A THR 524.A N TRP 512.A O no hydrogen 2.827 N/A THR 524.A OG1 GLU 554.A OE1 no hydrogen 2.617 N/A TRP 527.A N HIS 510.A O no hydrogen 2.966 N/A TRP 527.A NE1 GLN 511.A O no hydrogen 3.188 N/A GLU 528.A N TYR 533.A OH no hydrogen 2.761 N/A GLY 530.A N ILE 478.A O no hydrogen 3.178 N/A LYS 531.A N GLU 528.A O no hydrogen 3.365 N/A TYR 533.A N VAL 476.A O no hydrogen 2.744 N/A HIS 534.A N ASP 549.A OD2 no hydrogen 3.086 N/A VAL 535.A N ALA 474.A O no hydrogen 2.814 N/A VAL 536.A N TYR 547.A O no hydrogen 3.078 N/A LEU 537.A N LEU 472.A O no hydrogen 3.010 N/A THR 538.A N SER 545.A O no hydrogen 3.126 N/A MET 539.A N PHE 470.A O no hydrogen 2.848 N/A ALA 540.A N ILE 543.A O no hydrogen 2.980 N/A LYS 542.A NZ PRO 562.A O no hydrogen 2.815 N/A LYS 542.A NZ ASP 563.A O no hydrogen 2.805 N/A LYS 542.A NZ ARG 565.A O no hydrogen 2.817 N/A ILE 543.A N ALA 540.A O no hydrogen 2.746 N/A GLY 544.A N GLN 558.A O no hydrogen 2.654 N/A SER 545.A N THR 538.A O no hydrogen 2.920 N/A VAL 546.A N SER 556.A OG no hydrogen 2.844 N/A TYR 547.A N VAL 536.A O no hydrogen 2.830 N/A ILE 548.A N GLU 551.A O no hydrogen 2.899 N/A ASP 549.A N HIS 534.A O no hydrogen 2.758 N/A GLU 551.A N ILE 548.A O no hydrogen 3.048 N/A LEU 553.A N VAL 546.A O no hydrogen 2.938 N/A SER 556.A N LEU 553.A O no hydrogen 3.281 N/A SER 556.A OG VAL 546.A O no hydrogen 3.083 N/A GLY 557.A N GLY 544.A O no hydrogen 2.710 N/A GLN 558.A N GLY 544.A O no hydrogen 3.133 N/A GLN 558.A NE2 GLY 555.A O no hydrogen 2.759 N/A VAL 560.A N LYS 542.A O no hydrogen 2.944 N/A ILE 569.A N ASN 467.A OD1 no hydrogen 2.881 N/A SER 570.A N SER 492.A O no hydrogen 2.781 N/A SER 570.A OG HIS 571.A ND1 no hydrogen 2.397 N/A HIS 571.A ND1 SER 570.A OG no hydrogen 2.397 N/A PHE 572.A N TRP 452.A O no hydrogen 2.706 N/A TYR 573.A N GLY 490.A O no hydrogen 2.793 N/A VAL 574.A N ALA 450.A O no hydrogen 2.892 N/A GLY 575.A N LEU 488.A O no hydrogen 2.585 N/A LYS 578.A N GLY 448.A O no hydrogen 2.919 N/A LYS 578.A NZ SER 430.A OG no hydrogen 2.578 N/A ARG 579.A NE SER 495.A O no hydrogen 2.935 N/A ARG 579.A NH2 SER 495.A O no hydrogen 3.438 N/A MET 582.A N ARG 579.A O no hydrogen 3.072 N/A SER 586.A OG PRO 487.A O no hydrogen 2.753 N/A ARG 587.A NE ASP 585.A OD1 no hydrogen 3.063 N/A ARG 587.A NE ASP 585.A OD2 no hydrogen 3.403 N/A ARG 587.A NH2 ASP 585.A OD2 no hydrogen 3.202 N/A VAL 588.A N PHE 443.A O no hydrogen 2.958 N/A THR 589.A N THR 477.A O no hydrogen 2.771 N/A THR 589.A OG1 HIS 479.A NE2 no hydrogen 2.669 N/A VAL 590.A N LEU 441.A O no hydrogen 3.029 N/A ASN 591.A N SER 475.A O no hydrogen 2.935 N/A ASN 592.A N ASN 439.A O no hydrogen 3.097 N/A VAL 593.A N LEU 411.A O no hydrogen 2.711 N/A LEU 594.A N VAL 473.A O no hydrogen 2.869 N/A LEU 595.A N GLY 409.A O no hydrogen 2.908 N/A TYR 596.A N THR 471.A O no hydrogen 2.947 N/A TYR 596.A OH THR 403.A O no hydrogen 2.689 N/A ASN 597.A N GLY 406.A O no hydrogen 2.858 N/A ASN 597.A ND2 GLY 265.A O no hydrogen 3.515 N/A ARG 598.A NE VAL 405.A O no hydrogen 2.886 N/A ARG 598.A NH1 GLU 604.A OE1 no hydrogen 3.083 N/A ARG 598.A NH1 GLU 604.A OE2 no hydrogen 3.311 N/A ARG 598.A NH2 VAL 405.A O no hydrogen 2.830 N/A ARG 598.A NH2 GLU 604.A OE2 no hydrogen 2.898 N/A LEU 600.A N THR 471.A OG1 no hydrogen 3.040 N/A ASN 601.A N GLU 604.A OE1 no hydrogen 2.986 N/A GLU 604.A N ASN 601.A OD1 no hydrogen 2.701 N/A ILE 605.A N ASN 601.A O no hydrogen 3.057 N/A ARG 606.A N ALA 602.A O no hydrogen 3.003 N/A THR 607.A N GLU 603.A O no hydrogen 3.016 N/A THR 607.A OG1 GLU 603.A O no hydrogen 2.638 N/A LEU 608.A N GLU 604.A O no hydrogen 3.064 N/A PHE 609.A N ILE 605.A O no hydrogen 2.943 N/A LEU 610.A N ARG 606.A O no hydrogen 2.941 N/A SER 611.A N LEU 608.A O no hydrogen 3.092 N/A SER 611.A OG THR 607.A O no hydrogen 2.492 N/A SER 611.A OG LEU 608.A O no hydrogen 3.326 N/A GLN 612.A NE2 PHE 609.A O no hydrogen 3.571 N/A LEU 614.A N SER 611.A O no hydrogen 2.760 N/A THR 617.A N SER 412.A OG no hydrogen 2.963 N/A THR 617.A OG1 SER 412.A OG no hydrogen 3.100 N/A GLU 618.A N ASN 439.A OD1 no hydrogen 2.990 N/A