Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k30_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N ALA 2.A O no hydrogen 3.131 N/A TYR 5.A OH ASP 301.A OD1 no hydrogen 3.010 N/A TYR 5.A OH ASP 301.A OD2 no hydrogen 3.337 N/A LEU 8.A N TYR 5.A O no hydrogen 2.944 N/A PHE 9.A N ASP 6.A O no hydrogen 2.997 N/A VAL 12.A N THR 19.A OG1 no hydrogen 3.062 N/A ILE 14.A N PHE 17.A O no hydrogen 2.873 N/A PHE 17.A N ILE 14.A O no hydrogen 3.034 N/A THR 19.A N VAL 12.A O no hydrogen 3.039 N/A THR 19.A OG1 ASN 21.A O no hydrogen 2.543 N/A LYS 20.A NZ GLY 96.A O no hydrogen 2.948 N/A ASN 21.A N SER 53.A OG no hydrogen 2.839 N/A ASN 21.A ND2 GLY 51.A O no hydrogen 2.603 N/A ARG 22.A N LEU 8.A O no hydrogen 3.107 N/A ARG 22.A NE ASP 313.A O no hydrogen 3.157 N/A PHE 23.A N ASN 21.A OD1 no hydrogen 2.835 N/A TYR 24.A N ILE 315.A O no hydrogen 2.849 N/A TYR 24.A OH TYR 168.A OH no hydrogen 2.746 N/A GLN 25.A N ALA 54.A O no hydrogen 3.059 N/A VAL 26.A N ALA 317.A O no hydrogen 3.183 N/A HIS 28.A ND1 CYS 29.A O no hydrogen 2.690 N/A ASN 30.A ND2 GLU 58.A OE1 no hydrogen 3.044 N/A MET 32.A N ASN 30.A OD1 no hydrogen 2.724 N/A TYR 34.A N GLU 73.A O no hydrogen 3.031 N/A ARG 35.A NE ASP 36.A OD2 no hydrogen 3.139 N/A ARG 35.A NH1 MET 355.A O no hydrogen 3.289 N/A ARG 35.A NH2 ASP 36.A OD2 no hydrogen 3.254 N/A ARG 35.A NH2 MET 355.A O no hydrogen 3.505 N/A SER 38.A N GLU 679.A OE1 no hydrogen 3.098 N/A SER 38.A OG GLU 679.A OE2 no hydrogen 2.553 N/A GLN 40.A N ASP 36.A O no hydrogen 3.203 N/A GLN 40.A NE2 GLU 58.A OE1 no hydrogen 2.998 N/A ALA 41.A N PRO 37.A O no hydrogen 2.907 N/A SER 42.A N SER 38.A O no hydrogen 2.964 N/A SER 42.A OG SER 38.A O no hydrogen 3.467 N/A MET 43.A N ALA 39.A O no hydrogen 3.197 N/A ARG 44.A N GLN 40.A O no hydrogen 2.804 N/A ARG 44.A NE GLN 40.A OE1 no hydrogen 2.831 N/A ARG 44.A NH1 HIS 28.A NE2 no hydrogen 3.137 N/A ARG 44.A NH2 HIS 28.A O no hydrogen 2.879 N/A ARG 44.A NH2 GLN 40.A OE1 no hydrogen 2.955 N/A LYS 45.A N ALA 41.A O no hydrogen 2.827 N/A LYS 45.A NZ GLU 94.A OE2 no hydrogen 3.475 N/A ILE 46.A N SER 42.A O no hydrogen 3.077 N/A LYS 47.A N MET 43.A O no hydrogen 3.007 N/A LYS 47.A NZ HIS 28.A NE2 no hydrogen 2.849 N/A LYS 47.A NZ SER 321.A OG no hydrogen 2.941 N/A ALA 48.A N ARG 44.A O no hydrogen 3.096 N/A GLU 49.A N LYS 45.A O no hydrogen 3.076 N/A GLY 50.A N ILE 46.A O no hydrogen 2.993 N/A GLY 50.A N LYS 47.A O no hydrogen 3.051 N/A GLY 51.A N ALA 48.A O no hydrogen 3.146 N/A TRP 52.A N LYS 47.A O no hydrogen 3.352 N/A TRP 52.A NE1 PRO 325.A O no hydrogen 2.925 N/A SER 53.A N PHE 23.A O no hydrogen 2.926 N/A SER 53.A OG ASN 21.A O no hydrogen 3.235 N/A SER 53.A OG ASN 21.A OD1 no hydrogen 2.308 N/A VAL 55.A N LEU 98.A O no hydrogen 2.718 N/A CYS 56.A N GLN 25.A O no hydrogen 3.272 N/A CYS 56.A SG TYR 24.A OH no hydrogen 3.797 N/A CYS 56.A SG GLN 25.A O no hydrogen 3.448 N/A CYS 56.A SG TYR 168.A OH no hydrogen 3.681 N/A THR 57.A N GLY 100.A O no hydrogen 2.805 N/A THR 57.A OG1 GLU 58.A O no hydrogen 3.008 N/A THR 57.A OG1 GLY 100.A O no hydrogen 3.315 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 3.113 N/A GLU 61.A N LEU 74.A O no hydrogen 3.109 N/A ILE 62.A N ALA 104.A O no hydrogen 3.123 N/A HIS 63.A ND1 THR 65.A OG1 no hydrogen 2.759 N/A THR 65.A N HIS 63.A ND1 no hydrogen 3.210 N/A THR 65.A OG1 HIS 63.A ND1 no hydrogen 2.759 N/A THR 65.A OG1 HIS 105.A NE2 no hydrogen 2.790 N/A SER 66.A N HIS 63.A O no hydrogen 2.870 N/A SER 66.A OG ASN 106.A OD1 no hydrogen 2.848 N/A ASP 67.A N ASN 112.A OD1 no hydrogen 2.904 N/A ILE 68.A N GLU 61.A OE2 no hydrogen 3.130 N/A ALA 69.A N ASP 67.A OD1 no hydrogen 3.116 N/A ARG 75.A NE GLU 61.A OE1 no hydrogen 3.035 N/A ILE 76.A N GLU 61.A O no hydrogen 2.797 N/A TRP 77.A N ASP 81.A OD2 no hydrogen 2.813 N/A ASP 78.A N ASP 81.A OD2 no hydrogen 3.243 N/A GLN 80.A NE2 ASP 78.A OD2 no hydrogen 3.335 N/A ASP 81.A N ASP 78.A O no hydrogen 3.296 N/A LEU 82.A N ASP 79.A O no hydrogen 3.174 N/A LEU 85.A N ASP 81.A O no hydrogen 3.189 N/A LYS 86.A N LEU 82.A O no hydrogen 2.753 N/A ARG 87.A N PRO 83.A O no hydrogen 3.005 N/A ARG 87.A NH1 SER 38.A OG no hydrogen 3.022 N/A ILE 88.A N ALA 84.A O no hydrogen 3.419 N/A ALA 89.A N LEU 85.A O no hydrogen 3.036 N/A ASP 90.A N LYS 86.A O no hydrogen 2.741 N/A ALA 91.A N ARG 87.A O no hydrogen 2.802 N/A ILE 92.A N ILE 88.A O no hydrogen 3.005 N/A HIS 93.A N ALA 89.A O no hydrogen 3.024 N/A HIS 93.A NE2 ASP 165.A OD2 no hydrogen 2.858 N/A GLU 94.A N ASP 90.A O no hydrogen 2.916 N/A GLY 95.A N ALA 91.A O no hydrogen 3.210 N/A GLY 95.A N ILE 92.A O no hydrogen 3.131 N/A GLY 96.A N HIS 93.A O no hydrogen 2.813 N/A GLY 97.A N ILE 92.A O no hydrogen 3.106 N/A LEU 98.A N SER 53.A O no hydrogen 2.909 N/A ALA 99.A N ASP 165.A OD2 no hydrogen 2.937 N/A GLY 100.A N VAL 55.A O no hydrogen 2.660 N/A ILE 101.A N ILE 166.A O no hydrogen 2.861 N/A GLU 102.A N THR 57.A OG1 no hydrogen 3.355 N/A ALA 104.A N VAL 60.A O no hydrogen 2.903 N/A HIS 105.A NE2 THR 65.A OG1 no hydrogen 2.790 N/A ASN 106.A N SER 66.A OG no hydrogen 2.749 N/A ASN 106.A ND2 GLN 59.A OE1 no hydrogen 3.108 N/A ASN 106.A ND2 TYR 175.A O no hydrogen 3.019 N/A GLY 107.A N HIS 105.A ND1 no hydrogen 2.938 N/A ASN 109.A N ASN 106.A O no hydrogen 2.835 N/A ALA 110.A N GLY 107.A O no hydrogen 2.734 N/A ASN 112.A N ASP 67.A O no hydrogen 3.041 N/A ASN 112.A ND2 THR 65.A O no hydrogen 3.374 N/A ASN 112.A ND2 GLU 117.A O no hydrogen 3.278 N/A LEU 114.A N ASP 67.A OD2 no hydrogen 2.718 N/A SER 115.A N ASP 67.A OD2 no hydrogen 3.191 N/A SER 115.A OG ALA 64.A O no hydrogen 2.926 N/A ARG 116.A N ASN 112.A O no hydrogen 3.180 N/A GLU 117.A N SER 115.A OG no hydrogen 3.291 N/A GLY 121.A N ARG 138.A O no hydrogen 3.040 N/A VAL 127.A N ILE 135.A O no hydrogen 2.976 N/A ALA 128.A N MET 108.A O no hydrogen 2.970 N/A ALA 133.A N THR 131.A OG1 no hydrogen 3.403 N/A ILE 135.A N ALA 133.A O no hydrogen 2.775 N/A ALA 137.A N LEU 125.A O no hydrogen 2.628 N/A ARG 138.A N PRO 119.A O no hydrogen 2.844 N/A ARG 138.A NH1 ALA 139.A O no hydrogen 2.885 N/A ALA 139.A N HIS 124.A ND1 no hydrogen 3.291 N/A MET 140.A N GLY 121.A O no hydrogen 2.940 N/A THR 141.A N ASP 144.A OD2 no hydrogen 3.050 N/A THR 141.A OG1 ASP 144.A OD2 no hydrogen 2.845 N/A ASP 144.A N THR 141.A OG1 no hydrogen 2.929 N/A ILE 145.A N THR 141.A O no hydrogen 3.066 N/A ASP 146.A N LYS 142.A O no hydrogen 2.870 N/A ASP 147.A N GLN 143.A O no hydrogen 3.018 N/A LEU 148.A N ASP 144.A O no hydrogen 2.805 N/A ARG 149.A N ILE 145.A O no hydrogen 3.048 N/A ARG 149.A NE ASP 210.A OD2 no hydrogen 3.122 N/A ARG 149.A NH2 ASP 210.A OD1 no hydrogen 2.982 N/A ARG 149.A NH2 ASP 210.A OD2 no hydrogen 3.483 N/A ARG 150.A N ASP 146.A O no hydrogen 3.093 N/A ARG 150.A NH1 ASP 147.A OD1 no hydrogen 2.727 N/A ARG 150.A NH2 ASP 147.A OD1 no hydrogen 3.353 N/A TRP 151.A N ASP 147.A O no hydrogen 3.028 N/A HIS 152.A N LEU 148.A O no hydrogen 2.999 N/A ARG 153.A N ARG 149.A O no hydrogen 2.948 N/A ARG 153.A NE GLU 214.A OE1 no hydrogen 2.911 N/A ASN 154.A N ARG 150.A O no hydrogen 2.903 N/A ALA 155.A N TRP 151.A O no hydrogen 2.927 N/A VAL 156.A N HIS 152.A O no hydrogen 2.919 N/A ARG 157.A N ARG 153.A O no hydrogen 3.066 N/A ARG 157.A NH2 ASN 154.A OD1 no hydrogen 2.965 N/A ARG 158.A N ASN 154.A O no hydrogen 2.974 N/A ARG 158.A NH1 ASP 79.A OD1 no hydrogen 2.618 N/A SER 159.A N ALA 155.A O no hydrogen 2.988 N/A SER 159.A OG ALA 155.A O no hydrogen 2.929 N/A ILE 160.A N VAL 156.A O no hydrogen 3.032 N/A GLU 161.A N ARG 157.A O no hydrogen 3.016 N/A ALA 162.A N ARG 158.A O no hydrogen 2.969 N/A GLY 163.A N SER 159.A O no hydrogen 3.097 N/A GLY 163.A N ILE 160.A O no hydrogen 3.107 N/A TYR 164.A N SER 159.A O no hydrogen 3.130 N/A TYR 164.A OH LEU 85.A O no hydrogen 2.960 N/A ASP 165.A N ALA 99.A O no hydrogen 2.794 N/A ILE 166.A N ALA 99.A O no hydrogen 3.011 N/A VAL 167.A N ALA 220.A O no hydrogen 3.062 N/A TYR 168.A N ILE 101.A O no hydrogen 3.079 N/A TYR 168.A OH TYR 24.A OH no hydrogen 2.746 N/A TYR 168.A OH ASP 255.A OD2 no hydrogen 3.239 N/A VAL 169.A N ALA 222.A O no hydrogen 2.667 N/A TYR 170.A OH HIS 173.A ND1 no hydrogen 2.779 N/A GLY 171.A N ARG 224.A O no hydrogen 2.789 N/A HIS 173.A N MET 258.A O no hydrogen 3.153 N/A HIS 173.A ND1 TYR 170.A OH no hydrogen 2.779 N/A HIS 173.A NE2 ASP 264.A OD2 no hydrogen 2.683 N/A TYR 175.A N ALA 172.A O no hydrogen 3.159 N/A TYR 175.A OH ASP 130.A OD2 no hydrogen 2.418 N/A SER 176.A OG TYR 170.A O no hydrogen 2.648 N/A GLY 177.A N HIS 105.A O no hydrogen 3.113 N/A HIS 179.A ND1 THR 226.A OG1 no hydrogen 2.824 N/A HIS 179.A NE2 GLU 229.A OE2 no hydrogen 2.993 N/A HIS 180.A N SER 176.A O no hydrogen 2.917 N/A HIS 180.A NE2 GLY 174.A O no hydrogen 2.913 N/A PHE 181.A N GLY 177.A O no hydrogen 2.770 N/A LEU 182.A N VAL 178.A O no hydrogen 3.114 N/A SER 183.A N HIS 179.A O no hydrogen 3.026 N/A SER 183.A OG GLU 229.A OE1 no hydrogen 2.747 N/A ARG 185.A NH1 TYR 186.A OH no hydrogen 3.316 N/A TYR 186.A N SER 183.A O no hydrogen 3.122 N/A ASN 187.A N SER 183.A O no hydrogen 2.924 N/A ASN 187.A ND2 PHE 181.A O no hydrogen 2.713 N/A ASN 187.A ND2 TYR 193.A O no hydrogen 2.922 N/A GLN 188.A NE2 LYS 184.A O no hydrogen 3.034 N/A GLN 188.A NE2 ARG 185.A O no hydrogen 3.034 N/A ARG 189.A N ASN 187.A OD1 no hydrogen 2.857 N/A ARG 189.A NE ASP 191.A OD1 no hydrogen 3.240 N/A ARG 189.A NH1 MET 140.A O no hydrogen 2.897 N/A ARG 189.A NH1 ASP 191.A OD2 no hydrogen 2.713 N/A ARG 189.A NH2 PRO 122.A O no hydrogen 3.038 N/A ARG 189.A NH2 MET 140.A O no hydrogen 2.840 N/A TYR 193.A N ASP 191.A OD1 no hydrogen 2.801 N/A TYR 193.A OH GLU 206.A OE1 no hydrogen 2.720 N/A TYR 193.A OH GLU 206.A OE2 no hydrogen 3.379 N/A GLY 194.A N ASP 191.A O no hydrogen 3.208 N/A ASN 199.A ND2 GLY 194.A O no hydrogen 3.143 N/A ARG 200.A N SER 196.A O no hydrogen 2.838 N/A ARG 200.A NE LEU 182.A O no hydrogen 2.900 N/A MET 201.A N LEU 197.A O no hydrogen 2.801 N/A ARG 202.A N ASN 199.A O no hydrogen 3.083 N/A ARG 202.A NE GLU 192.A O no hydrogen 2.823 N/A ARG 202.A NH2 ASN 199.A OD1 no hydrogen 2.774 N/A ARG 205.A N MET 201.A O no hydrogen 2.888 N/A ARG 205.A NH1 GLU 209.A OE2 no hydrogen 3.345 N/A GLU 206.A N ARG 202.A O no hydrogen 2.916 N/A LEU 207.A N LEU 203.A O no hydrogen 2.842 N/A LEU 208.A N LEU 204.A O no hydrogen 2.869 N/A GLU 209.A N ARG 205.A O no hydrogen 2.921 N/A ASP 210.A N GLU 206.A O no hydrogen 2.982 N/A THR 211.A N LEU 207.A O no hydrogen 2.949 N/A THR 211.A OG1 LEU 207.A O no hydrogen 2.495 N/A LEU 212.A N LEU 208.A O no hydrogen 2.850 N/A ASP 213.A N GLU 209.A O no hydrogen 2.816 N/A GLU 214.A N ASP 210.A O no hydrogen 2.992 N/A CYS 215.A N THR 211.A O no hydrogen 2.874 N/A CYS 215.A SG THR 211.A O no hydrogen 3.271 N/A ALA 216.A N LEU 212.A O no hydrogen 3.070 N/A ARG 218.A N CYS 215.A O no hydrogen 2.737 N/A ARG 218.A NE CYS 215.A O no hydrogen 3.191 N/A ALA 220.A N ASP 165.A O no hydrogen 2.821 N/A VAL 221.A N ASP 252.A OD2 no hydrogen 2.700 N/A ALA 222.A N VAL 167.A O no hydrogen 3.042 N/A CYS 223.A N LEU 253.A O no hydrogen 2.891 N/A CYS 223.A SG VAL 169.A O no hydrogen 3.883 N/A ARG 224.A N VAL 169.A O no hydrogen 2.965 N/A ARG 224.A NE ASP 255.A OD1 no hydrogen 3.277 N/A ILE 225.A N ASP 255.A O no hydrogen 2.912 N/A THR 226.A N GLY 171.A O no hydrogen 3.191 N/A THR 226.A OG1 GLY 171.A O no hydrogen 3.302 N/A THR 226.A OG1 HIS 179.A ND1 no hydrogen 2.824 N/A GLU 229.A N ILE 235.A O no hydrogen 2.973 N/A GLU 230.A N GLU 228.A OE2 no hydrogen 2.829 N/A GLY 234.A N ILE 231.A O no hydrogen 3.056 N/A ILE 235.A N GLU 229.A OE1 no hydrogen 3.055 N/A THR 236.A N ASP 239.A OD2 no hydrogen 2.644 N/A ARG 237.A NH1 ALA 281.A O no hydrogen 2.752 N/A ASP 239.A N THR 236.A O no hydrogen 3.033 N/A ILE 240.A N THR 236.A O no hydrogen 3.165 N/A GLU 241.A N ARG 237.A O no hydrogen 2.956 N/A GLY 242.A N GLU 238.A O no hydrogen 3.119 N/A VAL 243.A N ASP 239.A O no hydrogen 2.858 N/A LEU 244.A N ILE 240.A O no hydrogen 2.996 N/A ARG 245.A N GLU 241.A O no hydrogen 2.923 N/A GLU 246.A N GLY 242.A O no hydrogen 3.111 N/A LEU 247.A N VAL 243.A O no hydrogen 2.703 N/A GLY 248.A N LEU 244.A O no hydrogen 2.696 N/A LEU 250.A N LEU 247.A O no hydrogen 2.845 N/A ASP 252.A N VAL 221.A O no hydrogen 2.671 N/A LEU 253.A N VAL 221.A O no hydrogen 3.297 N/A TRP 254.A N PRO 290.A O no hydrogen 3.119 N/A TRP 254.A NE1 GLY 248.A O no hydrogen 3.232 N/A ASP 255.A N CYS 223.A O no hydrogen 2.815 N/A PHE 256.A N VAL 292.A O no hydrogen 2.938 N/A ALA 257.A N ILE 225.A O no hydrogen 2.767 N/A MET 258.A N ASP 264.A OD1 no hydrogen 3.333 N/A GLY 259.A N GLU 228.A O no hydrogen 2.784 N/A TRP 261.A NE1 SER 265.A OG no hydrogen 3.030 N/A GLU 262.A N GLU 262.A OE2 no hydrogen 2.762 N/A ASP 264.A N SER 260.A O no hydrogen 2.811 N/A SER 265.A N TRP 261.A O no hydrogen 3.112 N/A THR 267.A OG1 GLU 563.A OE2 no hydrogen 2.854 N/A SER 268.A N GLY 344.A O no hydrogen 3.078 N/A SER 268.A OG ILE 343.A O no hydrogen 2.820 N/A PHE 270.A N THR 267.A O no hydrogen 2.764 N/A ALA 271.A N SER 268.A O no hydrogen 3.404 N/A GLY 274.A N GLY 295.A O no hydrogen 2.697 N/A ARG 275.A NH1 GLU 278.A OE2 no hydrogen 2.993 N/A GLN 276.A NE2 ASP 264.A O no hydrogen 3.626 N/A GLN 276.A NE2 ASP 264.A OD1 no hydrogen 3.030 N/A GLU 277.A N GLY 274.A O no hydrogen 3.360 N/A PHE 279.A N GLN 276.A O no hydrogen 3.374 N/A VAL 280.A N GLU 277.A O no hydrogen 3.254 N/A ALA 281.A N GLU 277.A O no hydrogen 2.788 N/A LEU 283.A N VAL 280.A O no hydrogen 3.076 N/A LYS 284.A NZ ASP 313.A OD1 no hydrogen 3.178 N/A LYS 284.A NZ ASP 313.A OD2 no hydrogen 3.197 N/A LEU 286.A N LEU 283.A O no hydrogen 2.949 N/A THR 287.A N LYS 284.A O no hydrogen 2.968 N/A THR 287.A OG1 GLY 248.A O no hydrogen 2.929 N/A LYS 289.A N THR 287.A OG1 no hydrogen 2.717 N/A LYS 289.A NZ GLU 249.A O no hydrogen 3.567 N/A VAL 292.A N TRP 254.A O no hydrogen 2.827 N/A ARG 296.A NH1 ALA 271.A O no hydrogen 2.715 N/A ARG 296.A NH2 VAL 266.A O no hydrogen 3.447 N/A ARG 296.A NH2 ALA 271.A O no hydrogen 2.967 N/A THR 298.A N GLU 273.A OE2 no hydrogen 2.958 N/A THR 298.A OG1 GLU 273.A OE1 no hydrogen 3.281 N/A SER 299.A N GLU 273.A OE2 no hydrogen 2.924 N/A ALA 302.A N SER 299.A OG no hydrogen 3.248 N/A MET 303.A N SER 299.A O no hydrogen 3.157 N/A VAL 304.A N PRO 300.A O no hydrogen 2.991 N/A ARG 305.A N ASP 301.A O no hydrogen 3.022 N/A ARG 305.A NH2 GLU 277.A OE2 no hydrogen 3.317 N/A GLN 306.A N ALA 302.A O no hydrogen 3.137 N/A GLN 306.A NE2 GLU 277.A OE1 no hydrogen 3.166 N/A ILE 307.A N VAL 304.A O no hydrogen 3.327 N/A LYS 308.A N VAL 304.A O no hydrogen 3.151 N/A ALA 309.A N ARG 305.A O no hydrogen 2.946 N/A GLY 310.A N ILE 307.A O no hydrogen 3.311 N/A ILE 311.A N GLN 306.A O no hydrogen 3.043 N/A LEU 312.A N GLN 306.A O no hydrogen 3.052 N/A ASP 313.A N VAL 291.A O no hydrogen 2.998 N/A LEU 314.A N VAL 291.A O no hydrogen 2.825 N/A ILE 315.A N ARG 22.A O no hydrogen 2.645 N/A GLY 316.A N GLY 293.A O no hydrogen 3.025 N/A ALA 317.A N TYR 24.A O no hydrogen 3.062 N/A ARG 319.A NH2 VAL 266.A O no hydrogen 3.258 N/A ARG 319.A NH2 ASN 346.A OD1 no hydrogen 3.352 N/A SER 321.A OG ALA 318.A O no hydrogen 2.649 N/A ILE 322.A N ALA 318.A O no hydrogen 3.148 N/A ALA 323.A N ARG 319.A O no hydrogen 2.808 N/A ASP 324.A N PRO 320.A O no hydrogen 2.997 N/A PHE 326.A N ASP 324.A OD1 no hydrogen 3.133 N/A LEU 327.A N ASP 324.A O no hydrogen 2.971 N/A ASN 329.A N GLY 50.A O no hydrogen 3.150 N/A ASN 329.A ND2 GLU 49.A O no hydrogen 3.047 N/A LYS 330.A N PHE 326.A O no hydrogen 2.986 N/A LYS 330.A NZ GLU 377.A OE2 no hydrogen 2.580 N/A ILE 331.A N LEU 327.A O no hydrogen 3.177 N/A ILE 331.A N PRO 328.A O no hydrogen 3.064 N/A ARG 332.A N PRO 328.A O no hydrogen 2.930 N/A ARG 332.A NE ASP 333.A OD1 no hydrogen 2.935 N/A ARG 332.A NH2 ASP 333.A OD2 no hydrogen 3.203 N/A ASP 333.A N ASN 329.A O no hydrogen 2.944 N/A GLY 334.A N ILE 331.A O no hydrogen 3.154 N/A LEU 336.A N GLY 334.A O no hydrogen 2.935 N/A LEU 338.A N ARG 335.A O no hydrogen 3.308 N/A ILE 339.A N LEU 336.A O no hydrogen 3.272 N/A ARG 340.A N ASP 324.A OD2 no hydrogen 2.942 N/A ARG 340.A NH1 PRO 376.A O no hydrogen 2.845 N/A ARG 340.A NH1 TYR 442.A OH no hydrogen 3.099 N/A ARG 340.A NH2 ALA 323.A O no hydrogen 3.049 N/A CYS 345.A SG THR 361.A OG1 no hydrogen 3.042 N/A ASN 346.A ND2 SER 265.A O no hydrogen 3.660 N/A ASN 346.A ND2 THR 561.A O no hydrogen 2.052 N/A VAL 349.A N ASN 346.A O no hydrogen 2.637 N/A SER 350.A N ASN 346.A O no hydrogen 3.386 N/A SER 350.A OG ILE 347.A O no hydrogen 2.473 N/A GLY 351.A N ILE 347.A O no hydrogen 3.436 N/A LEU 353.A N VAL 349.A O no hydrogen 3.024 N/A THR 354.A N GLY 351.A O no hydrogen 3.136 N/A THR 354.A OG1 SER 350.A O no hydrogen 2.675 N/A THR 354.A OG1 GLY 351.A O no hydrogen 3.302 N/A THR 354.A OG1 SER 356.A OG no hydrogen 3.292 N/A MET 355.A N ASP 352.A O no hydrogen 3.229 N/A SER 356.A N GLY 351.A O no hydrogen 2.752 N/A SER 356.A OG THR 354.A O no hydrogen 3.089 N/A SER 356.A OG THR 354.A OG1 no hydrogen 3.292 N/A ILE 358.A N ASN 30.A O no hydrogen 2.981 N/A GLN 362.A NE2 GLU 341.A O no hydrogen 2.820 N/A ASN 363.A ND2 ILE 322.A O no hydrogen 3.007 N/A SER 365.A N ASN 363.A OD1 no hydrogen 3.040 N/A SER 365.A OG ASN 363.A OD1 no hydrogen 2.508 N/A MET 366.A N ASN 363.A O no hydrogen 3.181 N/A GLY 367.A N GLU 369.A OE1 no hydrogen 2.890 N/A GLU 368.A N SER 365.A O no hydrogen 2.812 N/A GLU 369.A N GLU 369.A OE1 no hydrogen 3.100 N/A ARG 371.A NE GLU 368.A OE1 no hydrogen 3.065 N/A ARG 371.A NH1 GLU 368.A OE2 no hydrogen 2.970 N/A ARG 372.A N GLU 368.A O no hydrogen 2.967 N/A ARG 372.A NE GLU 368.A OE1 no hydrogen 2.865 N/A TRP 374.A N GLU 368.A O no hydrogen 3.175 N/A GLU 377.A N HIS 375.A ND1 no hydrogen 2.923 N/A ARG 378.A N HIS 375.A ND1 no hydrogen 2.999 N/A ARG 380.A NH1 GLU 383.A OE1 no hydrogen 2.897 N/A LYS 382.A N ARG 407.A O no hydrogen 2.896 N/A GLU 383.A N TYR 409.A OH no hydrogen 3.116 N/A ALA 386.A N SER 384.A OG no hydrogen 2.975 N/A ARG 387.A NH2 PHE 469.A O no hydrogen 3.394 N/A VAL 388.A N ASP 410.A O no hydrogen 2.830 N/A LEU 389.A N HIS 473.A O no hydrogen 2.960 N/A VAL 390.A N VAL 412.A O no hydrogen 2.862 N/A VAL 391.A N ILE 475.A O no hydrogen 2.845 N/A GLY 392.A N ALA 414.A O no hydrogen 2.759 N/A ALA 393.A N GLU 415.A OE2 no hydrogen 2.729 N/A LEU 398.A N GLY 394.A O no hydrogen 2.894 N/A GLU 399.A N PRO 395.A O no hydrogen 3.142 N/A ALA 400.A N SER 396.A O no hydrogen 2.884 N/A ALA 401.A N GLY 397.A O no hydrogen 2.762 N/A ARG 402.A N LEU 398.A O no hydrogen 2.921 N/A ALA 403.A N GLU 399.A O no hydrogen 2.780 N/A LEU 404.A N ALA 400.A O no hydrogen 2.813 N/A GLY 405.A N ALA 401.A O no hydrogen 2.800 N/A VAL 406.A N ARG 402.A O no hydrogen 2.770 N/A ARG 407.A N ALA 403.A O no hydrogen 2.993 N/A ARG 407.A NE ARG 380.A O no hydrogen 3.064 N/A ARG 407.A NH1 ALA 661.A O no hydrogen 2.897 N/A ARG 407.A NH1 PHE 664.A O no hydrogen 2.978 N/A ARG 407.A NH2 ALA 381.A O no hydrogen 2.968 N/A ARG 407.A NH2 GLU 383.A OE1 no hydrogen 3.115 N/A GLY 408.A N LEU 404.A O no hydrogen 3.189 N/A GLY 408.A N GLY 405.A O no hydrogen 2.860 N/A TYR 409.A N LEU 404.A O no hydrogen 3.125 N/A TYR 409.A OH ASP 665.A OD2 no hydrogen 2.586 N/A VAL 411.A N ASN 452.A O no hydrogen 3.065 N/A VAL 412.A N VAL 388.A O no hydrogen 2.936 N/A LEU 413.A N GLU 454.A O no hydrogen 2.648 N/A ALA 414.A N VAL 390.A O no hydrogen 2.966 N/A GLU 415.A N TYR 456.A O no hydrogen 2.784 N/A GLY 417.A N GLU 415.A OE1 no hydrogen 2.933 N/A GLY 421.A N ALA 393.A O no hydrogen 2.769 N/A ARG 423.A NE GLU 427.A OE2 no hydrogen 2.840 N/A ARG 423.A NH1 ASP 643.A OD2 no hydrogen 2.896 N/A ARG 423.A NH1 GLY 648.A O no hydrogen 2.781 N/A ARG 423.A NH2 GLU 427.A OE2 no hydrogen 2.873 N/A VAL 424.A N GLY 421.A O no hydrogen 3.141 N/A THR 425.A OG1 LEU 420.A O no hydrogen 3.001 N/A GLN 426.A N GLY 422.A O no hydrogen 3.211 N/A GLU 427.A N ARG 423.A O no hydrogen 2.753 N/A SER 428.A N VAL 424.A O no hydrogen 2.825 N/A SER 428.A OG VAL 424.A O no hydrogen 2.284 N/A LEU 430.A N GLU 427.A O no hydrogen 3.010 N/A LEU 433.A N LEU 430.A O no hydrogen 3.165 N/A TRP 436.A N LEU 433.A O no hydrogen 2.946 N/A GLY 437.A N SER 434.A O no hydrogen 3.186 N/A ARG 438.A N ALA 435.A O no hydrogen 2.883 N/A VAL 439.A N TRP 436.A O no hydrogen 3.199 N/A LYS 440.A NZ GLU 444.A OE1 no hydrogen 3.078 N/A LYS 440.A NZ GLU 444.A OE2 no hydrogen 2.916 N/A GLU 441.A N GLY 437.A O no hydrogen 3.063 N/A TYR 442.A N ARG 438.A O no hydrogen 3.020 N/A ARG 443.A NE GLU 399.A OE1 no hydrogen 2.756 N/A ARG 443.A NH1 GLN 362.A OE1 no hydrogen 2.661 N/A ARG 443.A NH1 VAL 439.A O no hydrogen 3.463 N/A ARG 443.A NH2 GLN 362.A O no hydrogen 2.954 N/A ARG 443.A NH2 GLU 399.A OE1 no hydrogen 2.875 N/A GLU 444.A N LYS 440.A O no hydrogen 2.980 N/A ALA 445.A N GLU 441.A O no hydrogen 2.710 N/A VAL 446.A N TYR 442.A O no hydrogen 3.001 N/A LEU 447.A N ARG 443.A O no hydrogen 2.832 N/A ALA 448.A N GLU 444.A O no hydrogen 2.933 N/A GLU 449.A N VAL 446.A O no hydrogen 3.103 N/A LEU 450.A N LEU 447.A O no hydrogen 2.810 N/A ASN 452.A ND2 GLY 405.A O no hydrogen 3.035 N/A ASN 452.A ND2 TYR 409.A O no hydrogen 2.840 N/A VAL 453.A N LEU 450.A O no hydrogen 3.459 N/A GLU 454.A N VAL 411.A O no hydrogen 2.772 N/A TYR 456.A N LEU 413.A O no hydrogen 2.756 N/A TYR 456.A OH GLU 454.A OE1 no hydrogen 3.083 N/A SER 459.A N GLU 415.A O no hydrogen 2.846 N/A THR 462.A N ASP 465.A OD2 no hydrogen 3.216 N/A ILE 466.A N THR 462.A O no hydrogen 3.343 N/A VAL 467.A N GLY 463.A O no hydrogen 3.281 N/A GLU 468.A N ASP 464.A O no hydrogen 2.991 N/A PHE 469.A N ASP 465.A O no hydrogen 2.829 N/A GLY 470.A N VAL 467.A O no hydrogen 2.685 N/A PHE 471.A N ILE 466.A O no hydrogen 3.017 N/A HIS 473.A ND1 SER 637.A OG no hydrogen 3.108 N/A VAL 474.A N SER 637.A O no hydrogen 2.962 N/A ILE 475.A N LEU 389.A O no hydrogen 2.742 N/A THR 476.A N ARG 639.A O no hydrogen 2.820 N/A ALA 477.A N VAL 391.A O no hydrogen 2.712 N/A THR 478.A OG1 ARG 619.A O no hydrogen 2.652 N/A THR 481.A N LEU 617.A O no hydrogen 2.760 N/A THR 481.A OG1 LEU 617.A O no hydrogen 3.352 N/A TRP 482.A N ASP 507.A OD2 no hydrogen 3.285 N/A ARG 483.A N ALA 615.A O no hydrogen 2.928 N/A ARG 483.A NH1 ASP 485.A OD2 no hydrogen 2.580 N/A VAL 487.A N ASP 485.A OD1 no hydrogen 3.204 N/A ALA 488.A N HIS 491.A O no hydrogen 2.966 N/A ARG 489.A N ASP 525.A OD2 no hydrogen 2.640 N/A ARG 489.A NH1 ASP 525.A O no hydrogen 3.184 N/A PHE 490.A N ASP 525.A OD2 no hydrogen 2.827 N/A HIS 491.A NE2 VAL 584.A O no hydrogen 2.723 N/A LEU 495.A N ASP 485.A O no hydrogen 3.163 N/A ALA 498.A N VAL 587.A O no hydrogen 2.853 N/A LEU 504.A N VAL 610.A O no hydrogen 2.846 N/A GLY 505.A N ASP 508.A OD2 no hydrogen 2.953 N/A LEU 509.A N GLY 505.A O no hydrogen 3.485 N/A PHE 510.A N PRO 506.A O no hydrogen 2.967 N/A ALA 511.A N ASP 507.A O no hydrogen 2.905 N/A GLY 512.A N LEU 509.A O no hydrogen 3.234 N/A ASP 516.A N GLN 502.A OE1 no hydrogen 2.835 N/A LYS 519.A N ASP 608.A OD1 no hydrogen 2.942 N/A VAL 520.A N GLU 544.A O no hydrogen 2.846 N/A VAL 521.A N ALA 609.A O no hydrogen 3.036 N/A VAL 522.A N SER 546.A O no hydrogen 2.887 N/A TYR 523.A N VAL 611.A O no hydrogen 2.853 N/A ASP 524.A N VAL 548.A O no hydrogen 2.702 N/A ASP 525.A N VAL 613.A O no hydrogen 2.892 N/A ASP 526.A N ASP 524.A OD1 no hydrogen 3.116 N/A HIS 527.A N ASP 524.A OD1 no hydrogen 3.251 N/A HIS 527.A NE2 ASP 525.A OD1 no hydrogen 2.736 N/A TYR 528.A N ASP 526.A OD2 no hydrogen 2.827 N/A TYR 529.A OH GLU 427.A OE1 no hydrogen 2.204 N/A GLY 532.A N TYR 529.A O no hydrogen 3.179 N/A VAL 533.A N TYR 529.A O no hydrogen 3.162 N/A VAL 534.A N LEU 530.A O no hydrogen 2.724 N/A ALA 535.A N GLY 531.A O no hydrogen 2.930 N/A GLU 536.A N GLY 532.A O no hydrogen 2.761 N/A LEU 537.A N VAL 533.A O no hydrogen 3.061 N/A LEU 538.A N VAL 534.A O no hydrogen 3.055 N/A ALA 539.A N ALA 535.A O no hydrogen 3.151 N/A GLN 540.A N GLU 536.A O no hydrogen 3.022 N/A LYS 541.A N LEU 538.A O no hydrogen 2.909 N/A GLY 542.A N ALA 539.A O no hydrogen 2.982 N/A TYR 543.A N LEU 538.A O no hydrogen 3.166 N/A TYR 543.A OH PRO 515.A O no hydrogen 2.598 N/A GLU 544.A N LYS 518.A O no hydrogen 2.986 N/A SER 546.A N VAL 520.A O no hydrogen 3.114 N/A ILE 547.A N ALA 577.A O no hydrogen 2.834 N/A VAL 548.A N VAL 522.A O no hydrogen 2.712 N/A THR 549.A N VAL 579.A O no hydrogen 3.102 N/A VAL 554.A N GLN 568.A OE1 no hydrogen 3.214 N/A SER 555.A OG TYR 528.A O no hydrogen 2.952 N/A TRP 557.A N HIS 527.A O no hydrogen 2.939 N/A THR 558.A N SER 555.A O no hydrogen 3.038 N/A THR 558.A OG1 SER 555.A O no hydrogen 2.262 N/A ASN 559.A N SER 556.A O no hydrogen 3.007 N/A ASN 559.A ND2 GLN 553.A OE1 no hydrogen 3.207 N/A ASN 559.A ND2 SER 556.A O no hydrogen 2.644 N/A ASN 560.A N TRP 557.A O no hydrogen 2.772 N/A ASN 560.A ND2 TRP 557.A O no hydrogen 2.963 N/A THR 561.A N THR 558.A O no hydrogen 2.804 N/A THR 561.A OG1 THR 558.A O no hydrogen 3.349 N/A THR 561.A OG1 GLU 563.A OE1 no hydrogen 2.727 N/A PHE 562.A N ASN 559.A O no hydrogen 3.435 N/A GLU 563.A N THR 558.A O no hydrogen 3.136 N/A ARG 566.A NH1 GLU 262.A O no hydrogen 3.151 N/A ILE 567.A N GLU 563.A O no hydrogen 2.719 N/A GLN 568.A N VAL 564.A O no hydrogen 3.071 N/A GLN 568.A NE2 VAL 554.A O no hydrogen 2.621 N/A GLN 568.A NE2 VAL 564.A O no hydrogen 3.356 N/A ARG 569.A N ASN 565.A O no hydrogen 3.012 N/A ARG 570.A N ARG 566.A O no hydrogen 2.928 N/A ARG 570.A NH1 GLU 536.A OE1 no hydrogen 3.107 N/A ARG 570.A NH1 GLU 536.A OE2 no hydrogen 3.269 N/A LEU 571.A N ILE 567.A O no hydrogen 2.920 N/A ILE 572.A N GLN 568.A O no hydrogen 2.941 N/A GLU 573.A N ARG 569.A O no hydrogen 2.970 N/A ASN 574.A N LEU 571.A O no hydrogen 3.206 N/A VAL 576.A N LEU 571.A O no hydrogen 3.108 N/A ALA 577.A N VAL 545.A O no hydrogen 2.999 N/A ARG 578.A NH1 GLN 568.A OE1 no hydrogen 2.987 N/A VAL 579.A N ILE 547.A O no hydrogen 2.679 N/A ASP 581.A N GLY 551.A O no hydrogen 3.009 N/A HIS 582.A N THR 549.A O no hydrogen 2.964 N/A HIS 582.A ND1 THR 580.A O no hydrogen 2.731 N/A ALA 583.A N ARG 595.A O no hydrogen 2.769 N/A VAL 585.A N THR 593.A O no hydrogen 2.784 N/A VAL 587.A N PRO 496.A O no hydrogen 2.888 N/A GLY 588.A N GLY 591.A O no hydrogen 2.790 N/A VAL 592.A N LEU 605.A O no hydrogen 2.858 N/A THR 593.A N ALA 586.A O no hydrogen 2.892 N/A THR 593.A OG1 GLU 604.A OE1 no hydrogen 3.360 N/A THR 593.A OG1 GLU 604.A OE2 no hydrogen 2.723 N/A VAL 594.A N ARG 603.A O no hydrogen 3.012 N/A ARG 595.A N ALA 583.A O no hydrogen 2.630 N/A ARG 595.A NE GLU 602.A OE2 no hydrogen 2.950 N/A ARG 595.A NH2 GLU 602.A OE2 no hydrogen 3.243 N/A ASP 596.A N ILE 601.A O no hydrogen 3.002 N/A THR 597.A N ASP 581.A O no hydrogen 2.747 N/A THR 597.A OG1 ASP 581.A O no hydrogen 3.188 N/A TYR 598.A OH ASP 581.A OD1 no hydrogen 2.815 N/A ALA 599.A N ASP 596.A OD2 no hydrogen 2.702 N/A SER 600.A N ASP 596.A O no hydrogen 3.065 N/A ARG 603.A N VAL 594.A O no hydrogen 3.016 N/A LEU 605.A N VAL 592.A O no hydrogen 2.878 N/A CYS 607.A N GLY 590.A O no hydrogen 3.257 N/A CYS 607.A SG ALA 609.A O no hydrogen 3.709 N/A ASP 608.A N LYS 519.A O no hydrogen 2.864 N/A VAL 610.A N GLN 502.A O no hydrogen 2.983 N/A VAL 611.A N VAL 521.A O no hydrogen 2.761 N/A MET 612.A N LEU 504.A O no hydrogen 2.761 N/A VAL 613.A N TYR 523.A O no hydrogen 2.943 N/A THR 614.A OG1 VAL 487.A O no hydrogen 2.811 N/A ALA 615.A N THR 614.A OG1 no hydrogen 2.753 N/A ARG 616.A NH1 GLY 648.A O no hydrogen 3.418 N/A ARG 616.A NH2 GLY 648.A O no hydrogen 3.166 N/A LEU 617.A N THR 481.A O no hydrogen 2.860 N/A ARG 619.A N GLY 479.A O no hydrogen 2.915 N/A LEU 624.A N GLU 620.A O no hydrogen 2.874 N/A ASP 625.A N GLU 621.A O no hydrogen 3.015 N/A LEU 626.A N LEU 622.A O no hydrogen 2.853 N/A VAL 627.A N TYR 623.A O no hydrogen 2.791 N/A ALA 628.A N LEU 624.A O no hydrogen 3.027 N/A ARG 629.A N ASP 625.A O no hydrogen 3.101 N/A ARG 629.A NE ASP 625.A OD1 no hydrogen 2.766 N/A ARG 629.A NH1 GLU 634.A OE1 no hydrogen 3.366 N/A ARG 629.A NH2 ASP 464.A OD1 no hydrogen 3.563 N/A ARG 630.A N LEU 626.A O no hydrogen 2.768 N/A ARG 630.A N VAL 627.A O no hydrogen 3.041 N/A ASP 631.A N VAL 627.A O no hydrogen 2.891 N/A ALA 632.A N ALA 628.A O no hydrogen 3.156 N/A GLY 633.A N ARG 629.A O no hydrogen 3.237 N/A GLU 634.A N ARG 629.A O no hydrogen 2.902 N/A ALA 636.A N GLU 472.A O no hydrogen 2.908 N/A SER 637.A N GLU 472.A O no hydrogen 3.387 N/A SER 637.A OG HIS 473.A ND1 no hydrogen 3.108 N/A ARG 639.A N VAL 474.A O no hydrogen 3.232 N/A ILE 641.A N THR 476.A O no hydrogen 2.956 N/A GLY 642.A N SER 656.A OG no hydrogen 2.861 N/A TRP 645.A N GLY 642.A O no hydrogen 2.877 N/A ALA 646.A N GLY 642.A O no hydrogen 3.161 N/A GLY 648.A N ASP 643.A OD1 no hydrogen 3.054 N/A ALA 652.A N THR 649.A OG1 no hydrogen 3.109 N/A ALA 653.A N THR 649.A O no hydrogen 3.178 N/A VAL 654.A N ILE 650.A O no hydrogen 2.947 N/A TRP 655.A N ALA 651.A O no hydrogen 2.862 N/A TRP 655.A NE1 GLU 368.A OE2 no hydrogen 3.176 N/A SER 656.A N ALA 652.A O no hydrogen 2.857 N/A GLY 657.A N ALA 653.A O no hydrogen 3.171 N/A ARG 658.A N VAL 654.A O no hydrogen 3.040 N/A ARG 658.A NE GLU 399.A OE2 no hydrogen 3.219 N/A ARG 658.A NH1 HIS 375.A O no hydrogen 3.158 N/A ARG 658.A NH1 GLU 662.A OE2 no hydrogen 2.953 N/A ARG 658.A NH2 HIS 375.A O no hydrogen 3.358 N/A ARG 659.A N TRP 655.A O no hydrogen 2.876 N/A ALA 660.A N SER 656.A O no hydrogen 3.272 N/A ALA 661.A N GLY 657.A O no hydrogen 3.132 N/A GLU 662.A N ARG 658.A O no hydrogen 2.869 N/A GLU 663.A N ALA 660.A O no hydrogen 3.331 N/A ALA 666.A N GLU 663.A O no hydrogen 3.031 N/A ASP 672.A N SER 670.A OG no hydrogen 3.157 N/A GLU 673.A N SER 670.A O no hydrogen 3.307 N/A ARG 677.A N ARG 371.A O no hydrogen 2.930 N/A