Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4g0w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 5.A NZ ASP 28.A OD2 no hydrogen 3.041 N/A ASP 7.A N VAL 48.A O no hydrogen 3.010 N/A ALA 9.A N TYR 98.A OH no hydrogen 2.800 N/A ASN 10.A N ARG 43.A O no hydrogen 2.832 N/A ASP 11.A N ASP 44.A O no hydrogen 3.109 N/A ALA 12.A N ALA 9.A O no hydrogen 3.230 N/A GLY 13.A N SER 17.A OG no hydrogen 3.130 N/A HIS 16.A ND1 GLU 19.A OE2 no hydrogen 3.266 N/A SER 17.A N GLY 14.A O no hydrogen 3.192 N/A SER 17.A OG GLY 14.A O no hydrogen 2.758 N/A SER 17.A OG LEU 96.A O no hydrogen 3.251 N/A SER 17.A OG ARG 97.A O no hydrogen 3.530 N/A GLU 19.A N HIS 16.A O no hydrogen 2.871 N/A CYS 20.A N SER 17.A O no hydrogen 2.765 N/A CYS 20.A SG HIS 16.A O no hydrogen 3.696 N/A CYS 20.A SG ASP 44.A O no hydrogen 3.675 N/A CYS 20.A SG ARG 45.A O no hydrogen 3.742 N/A THR 21.A N ARG 45.A O no hydrogen 2.838 N/A LEU 22.A N LYS 100.A O no hydrogen 2.823 N/A ILE 23.A N GLY 47.A O no hydrogen 2.783 N/A LEU 24.A N MET 102.A O no hydrogen 2.900 N/A THR 25.A N PHE 49.A O no hydrogen 3.030 N/A THR 25.A OG1 GLY 27.A O no hydrogen 2.929 N/A GLU 26.A N MET 104.A O no hydrogen 3.070 N/A GLY 27.A N LEU 51.A O no hydrogen 2.812 N/A LYS 31.A N GLY 27.A O no hydrogen 3.383 N/A LYS 31.A NZ ASP 7.A OD1 no hydrogen 3.098 N/A LYS 31.A NZ ASP 7.A OD2 no hydrogen 3.073 N/A SER 32.A N ASP 28.A O no hydrogen 3.090 N/A SER 32.A OG SER 29.A O no hydrogen 3.038 N/A LEU 33.A N SER 29.A O no hydrogen 3.242 N/A ALA 34.A N ALA 30.A O no hydrogen 3.170 N/A VAL 35.A N LYS 31.A O no hydrogen 2.944 N/A SER 36.A N SER 32.A O no hydrogen 3.334 N/A SER 36.A OG SER 32.A O no hydrogen 3.413 N/A SER 36.A OG LEU 33.A O no hydrogen 3.303 N/A GLY 37.A N LEU 33.A O no hydrogen 2.953 N/A LEU 38.A N ALA 34.A O no hydrogen 3.040 N/A GLY 42.A N LEU 38.A O no hydrogen 3.420 N/A ARG 43.A N VAL 40.A O no hydrogen 3.488 N/A ARG 45.A NE ASP 11.A OD2 no hydrogen 3.232 N/A ARG 45.A NH1 GLU 19.A OE1 no hydrogen 3.407 N/A TYR 46.A N GLY 42.A O no hydrogen 2.936 N/A GLY 47.A N THR 21.A O no hydrogen 2.904 N/A VAL 48.A N ASP 7.A O no hydrogen 3.159 N/A PHE 49.A N ILE 23.A O no hydrogen 2.801 N/A LEU 51.A N THR 25.A O no hydrogen 2.786 N/A LYS 54.A NZ ASP 110.A OD1 no hydrogen 2.995 N/A LYS 54.A NZ HIS 113.A ND1 no hydrogen 2.931 N/A ASN 57.A ND2 PHE 165.A O no hydrogen 3.130 N/A ARG 59.A N ASN 57.A OD1 no hydrogen 3.126 N/A ARG 59.A NE ASN 120.A OD1 no hydrogen 2.728 N/A ARG 59.A NH2 ASN 120.A OD1 no hydrogen 2.981 N/A ARG 59.A NH2 HIS 123.A ND1 no hydrogen 2.967 N/A ALA 61.A N VAL 58.A O no hydrogen 3.368 N/A LYS 64.A NZ GLU 68.A OE2 no hydrogen 3.549 N/A GLN 65.A N SER 62.A OG no hydrogen 3.151 N/A ILE 66.A N SER 62.A O no hydrogen 3.070 N/A MET 67.A N HIS 63.A O no hydrogen 2.990 N/A GLU 68.A N LYS 64.A O no hydrogen 2.984 N/A GLU 68.A N GLN 65.A O no hydrogen 3.262 N/A ILE 72.A N ASN 69.A OD1 no hydrogen 2.832 N/A ASN 73.A N ASN 69.A O no hydrogen 3.303 N/A ASN 73.A ND2 MET 67.A O no hydrogen 2.839 N/A ASN 74.A N ALA 70.A O no hydrogen 2.907 N/A ILE 75.A N GLU 71.A O no hydrogen 2.905 N/A ILE 76.A N ILE 72.A O no hydrogen 3.021 N/A LYS 77.A N ASN 73.A O no hydrogen 2.938 N/A LYS 77.A NZ ASN 73.A OD1 no hydrogen 3.390 N/A ILE 78.A N ASN 74.A O no hydrogen 3.036 N/A VAL 79.A N ILE 75.A O no hydrogen 3.046 N/A GLY 80.A N ILE 76.A O no hydrogen 2.767 N/A GLN 82.A N TYR 87.A OH no hydrogen 3.359 N/A LYS 85.A N TYR 83.A O no hydrogen 2.592 N/A LYS 85.A NZ SER 92.A O no hydrogen 3.108 N/A SER 86.A OG ASP 88.A OD2 no hydrogen 3.016 N/A TYR 87.A N SER 128.A OG no hydrogen 3.124 N/A SER 92.A N ASP 89.A OD1 no hydrogen 2.991 N/A SER 92.A OG ASP 89.A OD1 no hydrogen 2.580 N/A THR 95.A N SER 92.A O no hydrogen 3.036 N/A ARG 97.A N VAL 79.A O no hydrogen 2.809 N/A ARG 97.A NH1 ASP 8.A OD2 no hydrogen 3.098 N/A ARG 97.A NH1 ILE 78.A O no hydrogen 2.845 N/A ARG 97.A NH2 ASP 8.A OD1 no hydrogen 2.534 N/A TYR 98.A OH ASP 8.A OD2 no hydrogen 2.590 N/A GLY 99.A N CYS 20.A O no hydrogen 2.649 N/A LYS 100.A N CYS 20.A O no hydrogen 3.181 N/A LYS 100.A NZ GLU 136.A OE2 no hydrogen 2.885 N/A ILE 101.A N PHE 134.A O no hydrogen 2.932 N/A MET 102.A N LEU 22.A O no hydrogen 2.771 N/A ILE 103.A N GLU 136.A O no hydrogen 2.984 N/A MET 104.A N LEU 24.A O no hydrogen 2.907 N/A THR 105.A OG1 ASP 106.A O no hydrogen 2.824 N/A ASP 106.A N GLU 26.A OE1 no hydrogen 2.733 N/A GLN 107.A NE2 THR 105.A O no hydrogen 3.273 N/A GLY 111.A N ASP 108.A OD1 no hydrogen 2.634 N/A SER 112.A N ASP 108.A O no hydrogen 3.023 N/A SER 112.A OG ASP 108.A O no hydrogen 3.478 N/A SER 112.A OG GLU 204.A OE2 no hydrogen 2.701 N/A HIS 113.A N GLN 109.A O no hydrogen 2.984 N/A ILE 114.A N ASP 110.A O no hydrogen 3.078 N/A LYS 115.A N GLY 111.A O no hydrogen 3.086 N/A LYS 115.A NZ GLN 107.A OE1 no hydrogen 3.314 N/A LYS 115.A NZ GLU 137.A OE1 no hydrogen 2.953 N/A LYS 115.A NZ GLU 204.A OE2 no hydrogen 3.044 N/A GLY 116.A N SER 112.A O no hydrogen 2.919 N/A LEU 117.A N HIS 113.A O no hydrogen 2.901 N/A LEU 118.A N ILE 114.A O no hydrogen 2.886 N/A ILE 119.A N LYS 115.A O no hydrogen 2.848 N/A ASN 120.A N GLY 116.A O no hydrogen 2.793 N/A ASN 120.A ND2 ASN 57.A OD1 no hydrogen 3.067 N/A PHE 121.A N LEU 117.A O no hydrogen 3.003 N/A ILE 122.A N LEU 118.A O no hydrogen 3.151 N/A HIS 123.A N ILE 119.A O no hydrogen 2.941 N/A HIS 123.A NE2 ASP 158.A OD2 no hydrogen 3.145 N/A HIS 124.A N ASN 120.A O no hydrogen 3.180 N/A ASN 125.A N PHE 121.A O no hydrogen 3.411 N/A ASN 125.A N ILE 122.A O no hydrogen 3.015 N/A ASN 125.A ND2 PHE 121.A O no hydrogen 2.680 N/A TRP 126.A N ILE 122.A O no hydrogen 2.626 N/A TRP 126.A NE1 GLN 82.A O no hydrogen 2.888 N/A LEU 129.A N TRP 126.A O no hydrogen 2.922 N/A LEU 130.A N PRO 127.A O no hydrogen 3.020 N/A LYS 131.A N SER 128.A O no hydrogen 3.035 N/A HIS 132.A NE2 TYR 87.A O no hydrogen 2.740 N/A GLY 133.A N LEU 130.A O no hydrogen 3.393 N/A GLU 136.A N ILE 101.A O no hydrogen 2.868 N/A GLU 137.A N ILE 148.A O no hydrogen 2.945 N/A PHE 138.A N ILE 103.A O no hydrogen 2.924 N/A ILE 139.A N HIS 146.A O no hydrogen 2.893 N/A GLU 144.A N ALA 141.A O no hydrogen 3.343 N/A ARG 145.A N ASP 142.A O no hydrogen 2.938 N/A HIS 146.A NE2 ASP 142.A OD2 no hydrogen 2.763 N/A ARG 147.A N GLU 144.A O no hydrogen 3.376 N/A ARG 147.A NE GLU 136.A OE1 no hydrogen 3.113 N/A ARG 147.A NE GLU 136.A OE2 no hydrogen 2.947 N/A ARG 147.A NH1 GLU 144.A OE2 no hydrogen 2.811 N/A ARG 147.A NH2 GLU 136.A OE2 no hydrogen 2.474 N/A ILE 148.A N GLU 137.A O no hydrogen 3.065 N/A LEU 149.A N LYS 193.A O no hydrogen 2.830 N/A PHE 150.A N LEU 135.A O no hydrogen 3.212 N/A ARG 151.A N LEU 195.A O no hydrogen 2.805 N/A TYR 152.A OH ASP 158.A OD1 no hydrogen 2.689 N/A ALA 153.A N ASP 157.A OD2 no hydrogen 3.105 N/A GLU 156.A N GLU 156.A OE1 no hydrogen 2.560 N/A ASP 157.A N GLY 154.A O no hydrogen 3.297 N/A ALA 159.A N PRO 155.A O no hydrogen 3.263 N/A ILE 161.A N ASP 157.A O no hydrogen 3.152 N/A THR 162.A N ASP 158.A O no hydrogen 3.244 N/A THR 162.A OG1 ASP 158.A O no hydrogen 2.802 N/A LEU 163.A N ALA 159.A O no hydrogen 2.896 N/A ALA 164.A N ALA 160.A O no hydrogen 3.206 N/A PHE 165.A N ILE 161.A O no hydrogen 3.175 N/A SER 166.A N THR 162.A O no hydrogen 2.996 N/A SER 166.A OG GLU 60.A OE2 no hydrogen 2.921 N/A LYS 167.A N GLU 60.A OE1 no hydrogen 2.871 N/A LYS 167.A NZ GLU 60.A O no hydrogen 2.977 N/A LYS 168.A N SER 166.A OG no hydrogen 3.353 N/A LYS 168.A NZ GLU 60.A OE2 no hydrogen 2.412 N/A LYS 169.A N SER 166.A O no hydrogen 2.955 N/A ARG 173.A N LYS 169.A O no hydrogen 2.910 N/A ARG 173.A NH1 LEU 163.A O no hydrogen 2.832 N/A ARG 173.A NH1 SER 166.A O no hydrogen 2.824 N/A ARG 173.A NH2 SER 166.A O no hydrogen 3.053 N/A LYS 174.A N ILE 170.A O no hydrogen 3.048 N/A LYS 174.A NZ ASP 171.A OD1 no hydrogen 3.510 N/A LYS 174.A NZ GLY 361.A O no hydrogen 3.146 N/A GLU 175.A N ASP 171.A O no hydrogen 3.204 N/A TRP 176.A N ASP 172.A O no hydrogen 2.831 N/A TRP 176.A NE1 ASN 202.A OD1 no hydrogen 3.087 N/A LEU 177.A N ARG 173.A O no hydrogen 2.805 N/A THR 178.A N LYS 174.A O no hydrogen 2.659 N/A THR 178.A OG1 LYS 174.A O no hydrogen 2.570 N/A ASN 179.A N GLU 175.A O no hydrogen 2.855 N/A PHE 180.A N TRP 176.A O no hydrogen 3.155 N/A MET 181.A N LEU 177.A O no hydrogen 2.951 N/A GLU 182.A N THR 178.A O no hydrogen 2.983 N/A ASP 183.A N ASN 179.A O no hydrogen 2.945 N/A ARG 184.A N PHE 180.A O no hydrogen 3.058 N/A ARG 184.A NH2 GLU 214.A OE2 no hydrogen 2.958 N/A ARG 185.A N MET 181.A O no hydrogen 3.206 N/A GLN 186.A N GLU 182.A O no hydrogen 3.272 N/A GLN 186.A NE2 GLU 182.A OE2 no hydrogen 3.142 N/A ARG 187.A N ASP 183.A O no hydrogen 2.878 N/A ARG 187.A NH2 LEU 192.A O no hydrogen 3.203 N/A ARG 188.A N ARG 184.A O no hydrogen 3.160 N/A LEU 189.A N ARG 185.A O no hydrogen 3.090 N/A HIS 190.A N GLN 186.A O no hydrogen 3.371 N/A LEU 195.A N LEU 149.A O no hydrogen 2.779 N/A ASN 198.A N ASP 157.A OD1 no hydrogen 2.936 N/A ASN 198.A ND2 GLU 156.A O no hydrogen 3.009 N/A ASP 199.A N THR 196.A OG1 no hydrogen 3.293 N/A PHE 200.A N THR 196.A O no hydrogen 2.920 N/A ILE 201.A N TYR 197.A O no hydrogen 2.807 N/A ASN 202.A N ASN 198.A O no hydrogen 2.805 N/A ASN 202.A ND2 ASN 198.A O no hydrogen 2.796 N/A GLU 204.A N PHE 200.A O no hydrogen 2.861 N/A LEU 205.A N PHE 200.A O no hydrogen 2.966 N/A ILE 206.A N ILE 201.A O no hydrogen 3.244 N/A LEU 207.A N GLU 204.A O no hydrogen 3.112 N/A SER 209.A N LEU 205.A O no hydrogen 3.022 N/A SER 209.A OG LEU 205.A O no hydrogen 3.463 N/A ASN 210.A N ILE 206.A O no hydrogen 2.880 N/A ASN 210.A ND2 GLU 214.A OE2 no hydrogen 3.014 N/A SER 211.A N LEU 207.A O no hydrogen 2.995 N/A SER 211.A OG GLN 109.A OE1 no hydrogen 3.290 N/A SER 211.A OG LEU 207.A O no hydrogen 3.344 N/A ASP 212.A N PHE 208.A O no hydrogen 2.729 N/A ASN 213.A N SER 209.A O no hydrogen 3.326 N/A ASN 213.A ND2 THR 360.A O no hydrogen 3.079 N/A GLU 214.A N ASN 210.A O no hydrogen 3.001 N/A ARG 215.A N SER 211.A O no hydrogen 3.142 N/A ARG 215.A NH1 ASP 110.A OD1 no hydrogen 3.515 N/A ARG 215.A NH1 ASP 110.A OD2 no hydrogen 2.677 N/A ARG 215.A NH2 ASP 110.A OD1 no hydrogen 2.947 N/A SER 216.A N ASN 213.A O no hydrogen 3.271 N/A SER 216.A OG ASP 212.A O no hydrogen 2.749 N/A SER 216.A OG ASP 212.A OD1 no hydrogen 3.172 N/A SER 216.A OG ILE 358.A O no hydrogen 3.366 N/A ILE 217.A N ASN 213.A O no hydrogen 2.963 N/A SER 219.A N PHE 224.A O no hydrogen 2.940 N/A LEU 220.A N PHE 505.A O no hydrogen 2.952 N/A VAL 221.A N SER 219.A OG no hydrogen 3.001 N/A GLY 223.A N SER 219.A O no hydrogen 2.791 N/A PHE 224.A N ASP 222.A OD1 no hydrogen 3.120 N/A LYS 225.A N GLN 228.A OE1 no hydrogen 2.602 N/A LYS 225.A NZ GLU 356.A O no hydrogen 2.605 N/A ARG 229.A N LYS 225.A O no hydrogen 2.884 N/A ARG 229.A NE ASP 222.A OD2 no hydrogen 2.845 N/A ARG 229.A NH2 ASP 222.A OD1 no hydrogen 2.887 N/A ARG 229.A NH2 ASP 222.A OD2 no hydrogen 3.363 N/A LYS 230.A N PRO 226.A O no hydrogen 3.013 N/A LYS 230.A NZ SER 257.A O no hydrogen 2.858 N/A LYS 230.A NZ GLU 339.A OE1 no hydrogen 2.714 N/A LYS 230.A NZ GLU 339.A OE2 no hydrogen 3.349 N/A VAL 231.A N GLY 227.A O no hydrogen 3.160 N/A LEU 232.A N GLN 228.A O no hydrogen 3.187 N/A PHE 233.A N ARG 229.A O no hydrogen 3.013 N/A THR 234.A N LYS 230.A O no hydrogen 3.027 N/A THR 234.A OG1 LYS 230.A O no hydrogen 2.861 N/A CYS 235.A N VAL 231.A O no hydrogen 3.084 N/A CYS 235.A SG VAL 231.A O no hydrogen 3.209 N/A PHE 236.A N LEU 232.A O no hydrogen 2.785 N/A LYS 237.A N PHE 233.A O no hydrogen 2.999 N/A ARG 238.A N THR 234.A O no hydrogen 2.904 N/A ARG 238.A NE ASP 240.A OD2 no hydrogen 2.595 N/A ARG 238.A NH1 ASP 240.A OD1 no hydrogen 2.888 N/A ARG 238.A NH1 ASP 240.A OD2 no hydrogen 3.255 N/A ARG 238.A NH2 SER 252.A OG no hydrogen 2.944 N/A ASN 239.A N CYS 235.A O no hydrogen 2.984 N/A LYS 241.A NZ ASN 239.A OD1 no hydrogen 2.912 N/A ARG 242.A NH1 GLU 243.A O no hydrogen 3.475 N/A VAL 244.A N THR 310.A O no hydrogen 2.939 N/A VAL 246.A N ILE 308.A O no hydrogen 2.828 N/A ALA 247.A N PRO 305.A O no hydrogen 3.023 N/A LEU 249.A N LYS 245.A O no hydrogen 2.817 N/A ALA 250.A N VAL 246.A O no hydrogen 2.831 N/A GLY 251.A N ALA 247.A O no hydrogen 3.297 N/A SER 252.A N GLN 248.A O no hydrogen 3.100 N/A VAL 253.A N LEU 249.A O no hydrogen 2.934 N/A ALA 254.A N ALA 250.A O no hydrogen 2.946 N/A GLU 255.A N GLY 251.A O no hydrogen 3.056 N/A MET 256.A N SER 252.A O no hydrogen 2.719 N/A SER 257.A N VAL 253.A O no hydrogen 2.997 N/A SER 257.A OG VAL 253.A O no hydrogen 2.899 N/A TYR 259.A N ALA 254.A O no hydrogen 3.206 N/A HIS 260.A NE2 ASP 333.A OD2 no hydrogen 2.893 N/A MET 267.A N GLU 263.A O no hydrogen 2.924 N/A MET 268.A N GLN 264.A O no hydrogen 2.946 N/A THR 269.A N ALA 265.A O no hydrogen 2.970 N/A THR 269.A OG1 ALA 265.A O no hydrogen 3.168 N/A ILE 270.A N LEU 266.A O no hydrogen 2.864 N/A VAL 271.A N MET 267.A O no hydrogen 3.004 N/A ASN 272.A N MET 268.A O no hydrogen 3.081 N/A LEU 273.A N THR 269.A O no hydrogen 2.934 N/A ALA 274.A N VAL 271.A O no hydrogen 3.287 N/A GLN 275.A N VAL 271.A O no hydrogen 3.228 N/A GLN 275.A NE2 PHE 292.A O no hydrogen 2.809 N/A SER 280.A N PHE 277.A O no hydrogen 3.017 N/A SER 280.A OG PHE 277.A O no hydrogen 2.922 N/A ASN 281.A ND2 ASN 272.A O no hydrogen 2.957 N/A ASN 281.A ND2 GLN 275.A O no hydrogen 2.897 N/A ASN 282.A ND2 TYR 369.A O no hydrogen 2.739 N/A ASN 282.A ND2 ASN 393.A O no hydrogen 3.000 N/A ILE 283.A N ASN 353.A OD1 no hydrogen 2.819 N/A ASN 284.A ND2 LEU 286.A O no hydrogen 2.872 N/A GLN 287.A N MET 311.A O no hydrogen 2.702 N/A GLN 287.A NE2 LEU 312.A O no hydrogen 2.717 N/A ILE 289.A N GLN 287.A O no hydrogen 3.100 N/A ILE 289.A N PHE 309.A O no hydrogen 3.054 N/A GLY 293.A N GLN 291.A OE1 no hydrogen 3.015 N/A THR 294.A N ASP 301.A OD1 no hydrogen 2.780 N/A THR 294.A OG1 ASP 301.A OD1 no hydrogen 3.514 N/A THR 294.A OG1 ASP 301.A OD2 no hydrogen 2.783 N/A ARG 295.A NH1 THR 466.A O no hydrogen 2.911 N/A ARG 295.A NH2 GLU 427.A OE1 no hydrogen 2.732 N/A LEU 296.A N THR 294.A OG1 no hydrogen 3.162 N/A HIS 297.A N THR 294.A O no hydrogen 3.231 N/A GLY 299.A N THR 294.A O no hydrogen 2.975 N/A LYS 300.A N HIS 297.A O no hydrogen 3.224 N/A ALA 302.A N GLY 299.A O no hydrogen 2.946 N/A ALA 303.A N GLN 291.A O no hydrogen 2.801 N/A TYR 307.A N SER 304.A O no hydrogen 2.867 N/A PHE 309.A N ILE 289.A O no hydrogen 2.891 N/A THR 310.A N VAL 244.A O no hydrogen 2.881 N/A THR 310.A OG1 GLN 287.A O no hydrogen 2.494 N/A THR 310.A OG1 MET 311.A O no hydrogen 3.557 N/A SER 313.A N LEU 285.A O no hydrogen 2.815 N/A THR 314.A OG1 GLU 653.A OE2 no hydrogen 2.674 N/A LEU 315.A N SER 313.A OG no hydrogen 3.150 N/A ALA 316.A N SER 313.A O no hydrogen 2.948 N/A ARG 317.A NH1 PHE 320.A O no hydrogen 2.735 N/A ARG 317.A NH1 ASP 325.A OD1 no hydrogen 3.306 N/A ARG 317.A NH2 ASP 325.A OD2 no hydrogen 2.923 N/A LEU 319.A N LEU 315.A O no hydrogen 2.925 N/A LEU 319.A N ALA 316.A O no hydrogen 3.071 N/A PHE 320.A N ALA 316.A O no hydrogen 2.869 N/A ASP 324.A N PRO 321.A O no hydrogen 3.026 N/A ASP 325.A N ALA 322.A O no hydrogen 2.889 N/A ASN 326.A N VAL 323.A O no hydrogen 3.126 N/A ASN 326.A ND2 VAL 323.A O no hydrogen 2.488 N/A LEU 327.A N ASP 324.A O no hydrogen 2.735 N/A LEU 328.A N ASP 325.A O no hydrogen 3.119 N/A LEU 331.A N GLU 339.A O no hydrogen 3.052 N/A ASP 333.A N GLN 336.A O no hydrogen 3.002 N/A ASN 335.A ND2 ASP 334.A OD1 no hydrogen 3.273 N/A GLN 336.A NE2 GLU 255.A O no hydrogen 3.123 N/A VAL 338.A N LEU 331.A O no hydrogen 2.831 N/A GLU 339.A N GLU 339.A OE1 no hydrogen 2.788 N/A GLU 341.A N LYS 329.A O no hydrogen 2.997 N/A TRP 342.A NE1 HIS 507.A O no hydrogen 3.049 N/A TYR 343.A N ASP 222.A OD2 no hydrogen 2.714 N/A ILE 346.A N LEU 319.A O no hydrogen 2.908 N/A LEU 351.A N PRO 348.A O no hydrogen 3.034 N/A ASN 353.A N MET 349.A O no hydrogen 3.260 N/A ASN 353.A ND2 ILE 283.A O no hydrogen 2.794 N/A ALA 355.A N VAL 350.A O no hydrogen 3.273 N/A GLY 357.A N CYS 364.A O no hydrogen 3.081 N/A GLY 359.A N TRP 362.A O no hydrogen 3.030 N/A THR 360.A N ASN 213.A OD1 no hydrogen 2.836 N/A THR 360.A OG1 ASP 212.A OD2 no hydrogen 3.150 N/A CYS 364.A N GLY 357.A O no hydrogen 2.794 N/A CYS 364.A SG VAL 503.A O no hydrogen 3.127 N/A LYS 365.A N SER 501.A O no hydrogen 3.408 N/A LEU 366.A N ALA 355.A O no hydrogen 2.901 N/A ASN 368.A N TYR 394.A OH no hydrogen 3.297 N/A ASN 368.A ND2 SER 280.A O no hydrogen 2.884 N/A ASN 368.A ND2 ASN 282.A OD1 no hydrogen 3.090 N/A TYR 369.A N LEU 351.A O no hydrogen 2.884 N/A ARG 372.A NE ASP 655.A OD1 no hydrogen 3.210 N/A ARG 372.A NH1 GLU 658.A OE1 no hydrogen 2.593 N/A ARG 372.A NH2 ASP 655.A OD1 no hydrogen 2.457 N/A ARG 372.A NH2 GLU 658.A OE1 no hydrogen 2.909 N/A GLU 373.A N ASP 370.A OD2 no hydrogen 2.798 N/A ILE 374.A N ASP 370.A O no hydrogen 3.053 N/A VAL 375.A N ALA 371.A O no hydrogen 2.974 N/A ASN 376.A N ARG 372.A O no hydrogen 2.993 N/A ASN 377.A N GLU 373.A O no hydrogen 3.029 N/A ASN 377.A ND2 HIS 388.A O no hydrogen 2.938 N/A VAL 378.A N ILE 374.A O no hydrogen 2.981 N/A ARG 379.A N VAL 375.A O no hydrogen 2.922 N/A ARG 380.A N ASN 376.A O no hydrogen 2.940 N/A ARG 380.A NE ASP 386.A O no hydrogen 2.770 N/A ARG 380.A NH2 ASP 386.A O no hydrogen 3.074 N/A MET 381.A N ASN 377.A O no hydrogen 2.951 N/A LEU 382.A N VAL 378.A O no hydrogen 2.929 N/A ASP 383.A N ARG 380.A O no hydrogen 2.903 N/A GLY 384.A N MET 381.A O no hydrogen 3.160 N/A LEU 385.A N ARG 380.A O no hydrogen 3.153 N/A HIS 388.A N ASN 377.A OD1 no hydrogen 2.762 N/A ASN 393.A N ASN 368.A O no hydrogen 2.706 N/A LYS 395.A N ASN 282.A OD1 no hydrogen 2.834 N/A PHE 397.A N TYR 394.A O no hydrogen 3.000 N/A LYS 398.A N GLU 427.A OE2 no hydrogen 2.788 N/A THR 400.A N SER 412.A O no hydrogen 3.217 N/A GLN 402.A N ALA 410.A O no hydrogen 2.967 N/A LEU 404.A N GLN 408.A O no hydrogen 2.904 N/A ASN 407.A ND2 ASN 500.A OD1 no hydrogen 3.360 N/A ASN 407.A ND2 GLU 515.A O no hydrogen 2.903 N/A TYR 409.A N LEU 497.A O no hydrogen 2.851 N/A ALA 410.A N GLN 402.A O no hydrogen 2.865 N/A VAL 411.A N THR 495.A O no hydrogen 2.879 N/A SER 412.A N THR 400.A O no hydrogen 3.001 N/A GLY 413.A N LEU 493.A O no hydrogen 2.664 N/A GLU 414.A N GLU 427.A O no hydrogen 3.008 N/A PHE 416.A N GLU 424.A O no hydrogen 2.948 N/A VAL 418.A N THR 422.A O no hydrogen 2.788 N/A ASP 419.A N THR 422.A O no hydrogen 3.366 N/A ARG 420.A NH1 GLU 483.A OE2 no hydrogen 3.264 N/A ARG 420.A NH2 GLU 483.A OE1 no hydrogen 3.299 N/A ARG 420.A NH2 GLU 483.A OE2 no hydrogen 3.415 N/A ASN 421.A N ASP 419.A OD1 no hydrogen 2.532 N/A THR 422.A OG1 ASP 419.A OD1 no hydrogen 3.025 N/A THR 422.A OG1 ASP 419.A OD2 no hydrogen 3.370 N/A VAL 423.A N VAL 472.A O no hydrogen 2.992 N/A GLU 424.A N PHE 416.A O no hydrogen 3.013 N/A ILE 425.A N PHE 470.A O no hydrogen 2.762 N/A THR 426.A N GLU 414.A O no hydrogen 2.968 N/A THR 426.A OG1 GLU 414.A OE1 no hydrogen 3.276 N/A LEU 428.A N GLU 427.A OE1 no hydrogen 2.890 N/A ARG 431.A NH1 GLU 356.A OE1 no hydrogen 3.340 N/A ARG 431.A NH1 GLU 356.A OE2 no hydrogen 2.901 N/A ARG 431.A NH2 GLU 356.A OE2 no hydrogen 2.742 N/A THR 432.A N PRO 429.A O no hydrogen 2.887 N/A THR 434.A N ARG 295.A O no hydrogen 3.201 N/A GLN 435.A N LEU 296.A O no hydrogen 2.988 N/A TYR 437.A N TRP 433.A O no hydrogen 2.887 N/A TYR 437.A OH PHE 491.A O no hydrogen 2.488 N/A LYS 438.A N THR 434.A O no hydrogen 2.937 N/A LYS 438.A NZ GLU 461.A OE2 no hydrogen 3.198 N/A GLU 439.A N GLN 435.A O no hydrogen 2.923 N/A GLN 440.A N VAL 436.A O no hydrogen 2.805 N/A VAL 441.A N TYR 437.A O no hydrogen 2.765 N/A LEU 442.A N TYR 437.A O no hydrogen 3.187 N/A GLU 443.A N LYS 438.A O no hydrogen 2.898 N/A MET 445.A N VAL 441.A O no hydrogen 3.098 N/A LEU 446.A N LEU 442.A O no hydrogen 2.755 N/A ASN 447.A N GLU 443.A O no hydrogen 2.780 N/A ASN 447.A ND2 GLU 443.A OE1 no hydrogen 2.949 N/A GLY 448.A N PRO 444.A O no hydrogen 2.801 N/A THR 449.A N THR 452.A O no hydrogen 2.832 N/A THR 449.A OG1 THR 452.A OG1 no hydrogen 2.434 N/A THR 452.A N THR 449.A OG1 no hydrogen 2.831 N/A THR 452.A OG1 THR 449.A OG1 no hydrogen 2.434 N/A LEU 455.A N MET 445.A O no hydrogen 2.768 N/A ILE 456.A N MET 445.A O no hydrogen 3.209 N/A SER 457.A N LYS 473.A O no hydrogen 2.837 N/A TYR 459.A OH GLU 443.A OE2 no hydrogen 2.664 N/A LYS 460.A N VAL 471.A O no hydrogen 2.818 N/A LYS 460.A NZ ASP 458.A OD2 no hydrogen 3.301 N/A TYR 462.A N LYS 469.A O no hydrogen 2.780 N/A HIS 463.A NE2 GLU 461.A OE1 no hydrogen 2.689 N/A THR 464.A OG1 THR 467.A OG1 no hydrogen 2.321 N/A THR 466.A N THR 464.A OG1 no hydrogen 3.364 N/A THR 467.A OG1 THR 464.A OG1 no hydrogen 2.321 N/A LYS 469.A N HIS 463.A ND1 no hydrogen 3.057 N/A PHE 470.A N ILE 425.A O no hydrogen 2.852 N/A VAL 471.A N LYS 460.A O no hydrogen 2.843 N/A VAL 472.A N VAL 423.A O no hydrogen 2.878 N/A LYS 473.A N ASP 458.A O no hydrogen 2.846 N/A LYS 473.A NZ THR 422.A OG1 no hydrogen 2.480 N/A MET 474.A N ASN 421.A O no hydrogen 2.936 N/A LYS 478.A N THR 475.A OG1 no hydrogen 3.056 N/A LEU 479.A N THR 475.A O no hydrogen 3.070 N/A ALA 480.A N GLU 476.A O no hydrogen 3.170 N/A GLN 481.A N GLU 477.A O no hydrogen 3.073 N/A ALA 482.A N LYS 478.A O no hydrogen 2.854 N/A GLU 483.A N LEU 479.A O no hydrogen 2.872 N/A ALA 484.A N ALA 480.A O no hydrogen 3.285 N/A ALA 485.A N GLN 481.A O no hydrogen 2.937 N/A ALA 485.A N ALA 482.A O no hydrogen 3.110 N/A GLY 486.A N GLU 483.A O no hydrogen 2.925 N/A VAL 490.A N GLY 486.A O no hydrogen 2.843 N/A PHE 491.A N LEU 487.A O no hydrogen 2.842 N/A LYS 492.A N LYS 489.A O no hydrogen 3.242 N/A LEU 493.A N HIS 488.A O no hydrogen 2.806 N/A GLN 494.A NE2 SER 412.A OG no hydrogen 3.292 N/A THR 495.A N VAL 411.A O no hydrogen 2.899 N/A LEU 497.A N TYR 409.A O no hydrogen 2.864 N/A CYS 499.A N ASN 407.A O no hydrogen 2.874 N/A SER 501.A OG ALA 363.A O no hydrogen 2.661 N/A VAL 503.A N SER 501.A O no hydrogen 2.740 N/A LEU 504.A N LYS 512.A O no hydrogen 3.000 N/A PHE 505.A N PRO 218.A O no hydrogen 3.215 N/A ASP 506.A N CYS 510.A O no hydrogen 2.740 N/A MET 508.A N ASP 506.A OD1 no hydrogen 2.964 N/A GLY 509.A N ASP 506.A O no hydrogen 3.151 N/A GLY 509.A N ASP 506.A OD1 no hydrogen 3.108 N/A CYS 510.A N ASP 506.A OD1 no hydrogen 2.884 N/A LYS 512.A N LEU 504.A O no hydrogen 2.832 N/A LYS 513.A NZ ASN 500.A O no hydrogen 2.997 N/A LYS 513.A NZ GLU 515.A OE2 no hydrogen 3.363 N/A TYR 514.A N MET 502.A O no hydrogen 2.849 N/A TYR 514.A OH GLU 523.A OE1 no hydrogen 3.384 N/A TYR 514.A OH GLU 523.A OE2 no hydrogen 2.799 N/A GLN 518.A NE2 HIS 388.A O no hydrogen 3.534 N/A ASP 519.A N THR 516.A O no hydrogen 3.255 N/A ASP 519.A N THR 516.A OG1 no hydrogen 3.331 N/A ILE 520.A N THR 516.A O no hydrogen 3.453 N/A LEU 521.A N VAL 517.A O no hydrogen 2.786 N/A LYS 522.A N GLN 518.A O no hydrogen 2.893 N/A LYS 522.A NZ ASP 526.A OD1 no hydrogen 3.559 N/A GLU 523.A N ASP 519.A O no hydrogen 3.067 N/A PHE 524.A N ILE 520.A O no hydrogen 2.938 N/A PHE 525.A N LEU 521.A O no hydrogen 2.963 N/A ASP 526.A N LYS 522.A O no hydrogen 3.130 N/A LEU 527.A N GLU 523.A O no hydrogen 3.403 N/A ARG 528.A N PHE 524.A O no hydrogen 2.930 N/A ARG 528.A NE ARG 528.A O no hydrogen 2.885 N/A ARG 528.A NH1 ASP 324.A OD2 no hydrogen 2.989 N/A ARG 528.A NH2 ASP 324.A OD1 no hydrogen 3.289 N/A ARG 528.A NH2 ASP 324.A OD2 no hydrogen 3.285 N/A LEU 529.A N PHE 525.A O no hydrogen 2.936 N/A SER 530.A N ASP 526.A O no hydrogen 3.172 N/A SER 530.A OG ASP 526.A O no hydrogen 3.323 N/A SER 530.A OG LEU 527.A O no hydrogen 3.045 N/A TYR 531.A N LEU 527.A O no hydrogen 2.987 N/A TYR 532.A N ARG 528.A O no hydrogen 3.018 N/A TYR 532.A OH ASP 646.A OD2 no hydrogen 2.378 N/A GLY 533.A N LEU 529.A O no hydrogen 3.253 N/A LEU 534.A N SER 530.A O no hydrogen 2.922 N/A ARG 535.A N TYR 531.A O no hydrogen 2.878 N/A ARG 535.A NH1 ASP 324.A OD1 no hydrogen 3.254 N/A ARG 535.A NH1 ASP 646.A OD2 no hydrogen 3.099 N/A ARG 535.A NH2 ASP 646.A OD1 no hydrogen 3.187 N/A ARG 535.A NH2 ASP 646.A OD2 no hydrogen 2.759 N/A LYS 536.A N TYR 532.A O no hydrogen 3.042 N/A LYS 536.A NZ LYS 635.A O no hydrogen 3.178 N/A GLU 537.A N GLY 533.A O no hydrogen 3.074 N/A TRP 538.A N LEU 534.A O no hydrogen 2.964 N/A LEU 539.A N ARG 535.A O no hydrogen 2.835 N/A VAL 540.A N LYS 536.A O no hydrogen 2.938 N/A GLY 541.A N GLU 537.A O no hydrogen 3.143 N/A MET 542.A N TRP 538.A O no hydrogen 2.934 N/A LEU 543.A N LEU 539.A O no hydrogen 2.781 N/A GLY 544.A N VAL 540.A O no hydrogen 2.883 N/A ALA 545.A N GLY 541.A O no hydrogen 2.901 N/A GLU 546.A N MET 542.A O no hydrogen 2.906 N/A SER 547.A N LEU 543.A O no hydrogen 2.931 N/A THR 548.A N GLY 544.A O no hydrogen 3.010 N/A THR 548.A OG1 GLY 544.A O no hydrogen 3.148 N/A LYS 549.A N ALA 545.A O no hydrogen 2.905 N/A LEU 550.A N GLU 546.A O no hydrogen 2.873 N/A ASN 551.A N SER 547.A O no hydrogen 2.890 N/A ASN 552.A N THR 548.A O no hydrogen 3.024 N/A ASN 552.A ND2 THR 548.A O no hydrogen 3.087 N/A ASN 552.A ND2 GLU 585.A OE2 no hydrogen 3.159 N/A GLN 553.A N LYS 549.A O no hydrogen 3.062 N/A GLN 553.A NE2 TYR 603.A O no hydrogen 2.844 N/A ALA 554.A N LEU 550.A O no hydrogen 2.803 N/A ARG 555.A N ASN 551.A O no hydrogen 2.874 N/A ARG 555.A NE GLU 559.A OE2 no hydrogen 3.239 N/A ARG 555.A NH1 ARG 582.A O no hydrogen 2.858 N/A ARG 555.A NH2 GLU 559.A OE2 no hydrogen 3.109 N/A ARG 555.A NH2 ARG 582.A O no hydrogen 2.756 N/A PHE 556.A N ASN 552.A O no hydrogen 3.077 N/A ILE 557.A N GLN 553.A O no hydrogen 3.089 N/A LEU 558.A N ALA 554.A O no hydrogen 3.229 N/A GLU 559.A N ARG 555.A O no hydrogen 2.816 N/A LYS 560.A N PHE 556.A O no hydrogen 2.780 N/A LYS 560.A NZ GLU 568.A OE2 no hydrogen 3.049 N/A ILE 561.A N ILE 557.A O no hydrogen 3.032 N/A GLY 563.A N LYS 560.A O no hydrogen 3.163 N/A ILE 565.A N GLU 559.A O no hydrogen 3.013 N/A ILE 567.A N GLU 568.A OE1 no hydrogen 3.270 N/A GLU 568.A N GLU 568.A OE1 no hydrogen 2.749 N/A ARG 570.A N ILE 567.A O no hydrogen 2.959 N/A LEU 575.A N SER 571.A O no hydrogen 2.872 N/A ILE 576.A N LYS 572.A O no hydrogen 2.999 N/A GLN 577.A N LYS 573.A O no hydrogen 3.081 N/A MET 578.A N ASP 574.A O no hydrogen 2.945 N/A LEU 579.A N LEU 575.A O no hydrogen 3.089 N/A VAL 580.A N ILE 576.A O no hydrogen 2.913 N/A GLN 581.A N GLN 577.A O no hydrogen 3.027 N/A GLN 581.A NE2 GLN 577.A OE1 no hydrogen 3.109 N/A ARG 582.A N MET 578.A O no hydrogen 3.138 N/A ARG 582.A N LEU 579.A O no hydrogen 3.208 N/A ARG 582.A NH1 LYS 564.A O no hydrogen 2.723 N/A GLY 583.A N VAL 580.A O no hydrogen 2.800 N/A TYR 584.A N LEU 579.A O no hydrogen 3.174 N/A TYR 584.A OH GLU 559.A OE1 no hydrogen 2.749 N/A GLU 585.A N ASN 552.A OD1 no hydrogen 2.825 N/A ASP 587.A N ASP 600.A O no hydrogen 2.908 N/A LYS 590.A N ASP 587.A OD2 no hydrogen 3.029 N/A LYS 590.A NZ ASP 600.A OD1 no hydrogen 2.996 N/A ALA 591.A N ASP 587.A O no hydrogen 2.813 N/A TRP 592.A N PRO 588.A O no hydrogen 2.907 N/A LYS 593.A N VAL 589.A O no hydrogen 3.079 N/A GLU 594.A N LYS 590.A O no hydrogen 2.890 N/A ALA 595.A N ALA 591.A O no hydrogen 3.085 N/A GLN 596.A N LYS 593.A O no hydrogen 3.097 N/A GLU 597.A N GLU 594.A O no hydrogen 3.272 N/A ASP 600.A N SER 586.A OG no hydrogen 2.891 N/A ASN 602.A N ASP 600.A OD2 no hydrogen 3.062 N/A TYR 603.A OH GLU 585.A O no hydrogen 2.522 N/A ILE 604.A N PHE 601.A O no hydrogen 2.908 N/A LEU 605.A N PHE 601.A O no hydrogen 3.164 N/A ASN 606.A N ASN 602.A O no hydrogen 2.893 N/A MET 607.A N ILE 604.A O no hydrogen 3.008 N/A SER 611.A N SER 608.A O no hydrogen 2.944 N/A SER 611.A OG SER 608.A O no hydrogen 2.832 N/A LEU 612.A N LEU 609.A O no hydrogen 3.137 N/A THR 613.A N TRP 610.A O no hydrogen 2.805 N/A THR 613.A OG1 TRP 610.A O no hydrogen 2.812 N/A LYS 614.A NZ GLU 618.A OE2 no hydrogen 2.715 N/A GLU 615.A N GLU 615.A OE1 no hydrogen 2.943 N/A LYS 616.A NZ GLU 619.A OE1 no hydrogen 3.309 N/A VAL 617.A N THR 613.A O no hydrogen 2.848 N/A GLU 618.A N LYS 614.A O no hydrogen 3.075 N/A GLU 619.A N GLU 615.A O no hydrogen 2.777 N/A LEU 620.A N LYS 616.A O no hydrogen 2.912 N/A ILE 621.A N VAL 617.A O no hydrogen 3.159 N/A ILE 621.A N GLU 618.A O no hydrogen 3.150 N/A LYS 622.A N GLU 618.A O no hydrogen 3.082 N/A GLN 623.A N GLU 619.A O no hydrogen 3.098 N/A ARG 624.A N LEU 620.A O no hydrogen 3.029 N/A ARG 624.A NE ASP 625.A OD1 no hydrogen 2.933 N/A ARG 624.A NH2 ASP 625.A OD1 no hydrogen 2.863 N/A ASP 625.A N ILE 621.A O no hydrogen 2.940 N/A ALA 626.A N LYS 622.A O no hydrogen 2.953 N/A LYS 627.A N GLN 623.A O no hydrogen 2.947 N/A LYS 627.A NZ GLU 546.A OE1 no hydrogen 3.074 N/A LYS 627.A NZ GLU 630.A OE1 no hydrogen 2.999 N/A GLY 628.A N ARG 624.A O no hydrogen 3.307 N/A ARG 629.A N ASP 625.A O no hydrogen 3.027 N/A GLU 630.A N ALA 626.A O no hydrogen 2.911 N/A VAL 631.A N LYS 627.A O no hydrogen 2.753 N/A ASN 632.A N GLY 628.A O no hydrogen 3.152 N/A ASP 633.A N ARG 629.A O no hydrogen 2.938 N/A LEU 634.A N GLU 630.A O no hydrogen 3.201 N/A LYS 635.A N VAL 631.A O no hydrogen 3.059 N/A ARG 636.A N ASN 632.A O no hydrogen 3.120 N/A ARG 636.A NH2 ASP 633.A OD1 no hydrogen 2.941 N/A LYS 637.A N LEU 634.A O no hydrogen 2.930 N/A LYS 637.A NZ GLU 645.A OE1 no hydrogen 3.476 N/A LYS 637.A NZ GLU 645.A OE2 no hydrogen 2.977 N/A SER 638.A N ASP 641.A OD2 no hydrogen 2.876 N/A ASP 641.A N SER 638.A OG no hydrogen 3.052 N/A LEU 642.A N SER 638.A O no hydrogen 2.906 N/A TRP 643.A N PRO 639.A O no hydrogen 2.877 N/A TRP 643.A NE1 ILE 346.A O no hydrogen 2.978 N/A LYS 644.A N SER 640.A O no hydrogen 2.836 N/A GLU 645.A N ASP 641.A O no hydrogen 2.937 N/A ASP 646.A N LEU 642.A O no hydrogen 3.092 N/A LEU 647.A N TRP 643.A O no hydrogen 2.987 N/A ALA 648.A N LYS 644.A O no hydrogen 2.979 N/A ALA 649.A N GLU 645.A O no hydrogen 2.988 N/A PHE 650.A N ASP 646.A O no hydrogen 2.918 N/A VAL 651.A N LEU 647.A O no hydrogen 3.055 N/A GLU 652.A N ALA 648.A O no hydrogen 3.047 N/A GLU 653.A N ALA 649.A O no hydrogen 3.190 N/A LEU 654.A N PHE 650.A O no hydrogen 2.735 N/A ASP 655.A N VAL 651.A O no hydrogen 2.887 N/A LYS 656.A N GLU 652.A O no hydrogen 3.146 N/A VAL 657.A N GLU 653.A O no hydrogen 2.730 N/A GLU 658.A N LEU 654.A O no hydrogen 2.949 N/A SER 659.A N ASP 655.A O no hydrogen 3.014 N/A GLN 660.A N LYS 656.A O no hydrogen 2.960 N/A GLU 661.A N VAL 657.A O no hydrogen 3.096 N/A ARG 662.A N GLU 658.A O no hydrogen 3.229 N/A ASP 664.A N GLN 660.A O no hydrogen 2.921 N/A