Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mmp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 SER 4.A OG no hydrogen 3.235 N/A SER 4.A OG THR 2.A OG1 no hydrogen 3.235 N/A LEU 5.A N THR 2.A OG1 no hydrogen 3.103 N/A VAL 6.A N THR 2.A O no hydrogen 3.286 N/A LYS 7.A N ALA 3.A O no hydrogen 3.011 N/A GLU 8.A N SER 4.A O no hydrogen 3.160 N/A LEU 9.A N LEU 5.A O no hydrogen 3.008 N/A ARG 10.A N VAL 6.A O no hydrogen 2.841 N/A ARG 10.A NE ALA 15.A O no hydrogen 3.011 N/A ARG 10.A NH1 GLU 402.A OE2 no hydrogen 2.843 N/A ARG 10.A NH2 PRO 361.A O no hydrogen 3.393 N/A GLU 11.A N LYS 7.A O no hydrogen 3.151 N/A THR 13.A N ARG 10.A O no hydrogen 2.979 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.748 N/A GLY 14.A N ARG 10.A O no hydrogen 2.665 N/A MET 17.A N ASP 359.A O no hydrogen 2.978 N/A MET 18.A N THR 358.A O no hydrogen 2.965 N/A CYS 20.A N GLY 16.A O no hydrogen 3.196 N/A CYS 20.A N MET 17.A O no hydrogen 3.230 N/A CYS 20.A SG ALA 15.A O no hydrogen 3.624 N/A CYS 20.A SG GLY 16.A O no hydrogen 3.262 N/A LYS 21.A N MET 17.A O no hydrogen 3.169 N/A LYS 21.A NZ ASP 391.A OD1 no hydrogen 3.086 N/A LYS 22.A N MET 18.A O no hydrogen 2.766 N/A ALA 23.A N ASP 19.A O no hydrogen 3.008 N/A LEU 24.A N CYS 20.A O no hydrogen 2.781 N/A THR 25.A N LYS 22.A O no hydrogen 2.812 N/A THR 25.A OG1 LYS 21.A O no hydrogen 3.124 N/A GLU 26.A N LYS 22.A O no hydrogen 3.162 N/A ASN 28.A N THR 25.A O no hydrogen 3.023 N/A GLY 29.A N ASN 28.A OD1 no hydrogen 3.286 N/A LEU 33.A N ASP 30.A OD1 no hydrogen 3.196 N/A LEU 33.A N ASP 30.A OD2 no hydrogen 3.351 N/A ALA 34.A N ASP 30.A O no hydrogen 3.207 N/A ILE 35.A N ILE 31.A O no hydrogen 2.941 N/A GLU 36.A N GLU 32.A O no hydrogen 3.269 N/A ASN 37.A N LEU 33.A O no hydrogen 2.749 N/A MET 38.A N ALA 34.A O no hydrogen 2.960 N/A ARG 39.A N ILE 35.A O no hydrogen 2.882 N/A LYS 40.A N GLU 36.A O no hydrogen 2.742 N/A SER 41.A N ASN 37.A O no hydrogen 2.825 N/A LYS 45.A N SER 41.A O no hydrogen 3.432 N/A ALA 46.A N GLY 42.A O no hydrogen 2.915 N/A ALA 47.A N ALA 43.A O no hydrogen 3.043 N/A LYS 48.A N ILE 44.A O no hydrogen 2.839 N/A LYS 48.A N LYS 45.A O no hydrogen 3.259 N/A LYS 49.A N LYS 45.A O no hydrogen 3.244 N/A LYS 49.A NZ ASN 52.A OD1 no hydrogen 2.739 N/A LYS 49.A NZ GLN 76.A OE1 no hydrogen 3.443 N/A LYS 49.A NZ GLY 124.A O no hydrogen 3.061 N/A LYS 49.A NZ ASP 293.A OD2 no hydrogen 2.695 N/A ASN 52.A N LYS 49.A O no hydrogen 2.798 N/A ASP 56.A N CYS 75.A O no hydrogen 3.044 N/A GLY 57.A N ASP 56.A OD1 no hydrogen 2.731 N/A VAL 58.A N VAL 73.A O no hydrogen 2.959 N/A ILE 59.A N ALA 147.A O no hydrogen 2.724 N/A LYS 60.A N LEU 71.A O no hydrogen 2.815 N/A LYS 60.A NZ GLN 87.A OE1 no hydrogen 2.707 N/A LYS 60.A NZ ASP 91.A OD1 no hydrogen 2.868 N/A LYS 60.A NZ ASP 91.A OD2 no hydrogen 3.457 N/A THR 61.A OG1 GLN 144.A OE1 no hydrogen 3.214 N/A LYS 62.A N ILE 69.A O no hydrogen 3.120 N/A LYS 62.A NZ ASP 95.A OD1 no hydrogen 2.691 N/A ASP 64.A N TYR 67.A O no hydrogen 2.988 N/A ASN 66.A ND2 GLY 137.A O no hydrogen 2.920 N/A TYR 67.A N ASP 64.A O no hydrogen 3.404 N/A GLY 68.A N LEU 135.A O no hydrogen 3.018 N/A ILE 69.A N LYS 62.A O no hydrogen 3.047 N/A ILE 70.A N ALA 133.A O no hydrogen 2.951 N/A LEU 71.A N LYS 60.A O no hydrogen 2.756 N/A GLU 72.A N ARG 131.A O no hydrogen 3.092 N/A VAL 73.A N VAL 58.A O no hydrogen 3.123 N/A ASN 74.A N ASN 128.A O no hydrogen 2.766 N/A ASN 74.A ND2 ASP 56.A O no hydrogen 3.031 N/A ASN 74.A ND2 GLU 72.A OE2 no hydrogen 2.971 N/A CYS 75.A N ASP 56.A O no hydrogen 2.993 N/A CYS 75.A SG THR 77.A O no hydrogen 3.437 N/A GLN 76.A N GLU 125.A OE1 no hydrogen 2.784 N/A THR 77.A N GLU 125.A OE1 no hydrogen 3.135 N/A THR 77.A OG1 GLU 125.A OE2 no hydrogen 2.708 N/A VAL 80.A N THR 77.A O no hydrogen 3.098 N/A ALA 81.A N THR 77.A O no hydrogen 3.177 N/A LYS 82.A N ASP 78.A O no hydrogen 3.058 N/A ASP 83.A N VAL 80.A O no hydrogen 2.962 N/A GLY 85.A N ASP 83.A OD2 no hydrogen 2.772 N/A PHE 86.A N ASP 83.A OD2 no hydrogen 3.468 N/A GLN 87.A N ASP 83.A O no hydrogen 2.971 N/A GLN 87.A NE2 ALA 81.A O no hydrogen 2.977 N/A ALA 88.A N ALA 84.A O no hydrogen 2.887 N/A PHE 89.A N GLY 85.A O no hydrogen 3.092 N/A ALA 90.A N PHE 86.A O no hydrogen 3.005 N/A ASP 91.A N GLN 87.A O no hydrogen 2.907 N/A LYS 92.A N ALA 88.A O no hydrogen 2.955 N/A LYS 92.A NZ GLU 115.A OE1 no hydrogen 3.512 N/A LYS 92.A NZ GLU 115.A OE2 no hydrogen 2.791 N/A VAL 93.A N PHE 89.A O no hydrogen 2.852 N/A LEU 94.A N ALA 90.A O no hydrogen 2.832 N/A ASP 95.A N ASP 91.A O no hydrogen 2.829 N/A ALA 96.A N LYS 92.A O no hydrogen 3.001 N/A ALA 97.A N VAL 93.A O no hydrogen 2.921 N/A VAL 98.A N LEU 94.A O no hydrogen 3.110 N/A ALA 99.A N ASP 95.A O no hydrogen 3.018 N/A GLY 100.A N ALA 96.A O no hydrogen 3.127 N/A LYS 101.A N VAL 98.A O no hydrogen 3.152 N/A ILE 102.A N ALA 97.A O no hydrogen 2.899 N/A GLU 106.A N ASP 104.A OD1 no hydrogen 3.278 N/A LEU 108.A N ASP 104.A O no hydrogen 3.249 N/A LYS 109.A N VAL 105.A O no hydrogen 2.861 N/A LYS 109.A NZ ILE 129.A O no hydrogen 3.127 N/A ALA 110.A N GLU 106.A O no hydrogen 2.917 N/A GLN 111.A N VAL 107.A O no hydrogen 3.011 N/A GLN 111.A N LEU 108.A O no hydrogen 3.134 N/A PHE 112.A N LEU 108.A O no hydrogen 3.259 N/A PHE 112.A N LYS 109.A O no hydrogen 2.984 N/A ARG 116.A N PHE 112.A O no hydrogen 2.852 N/A ARG 116.A NE GLU 113.A OE1 no hydrogen 2.944 N/A ARG 116.A NE GLU 113.A OE2 no hydrogen 3.546 N/A ARG 116.A NH1 ILE 127.A O no hydrogen 2.959 N/A ARG 116.A NH2 GLU 113.A OE2 no hydrogen 3.171 N/A VAL 117.A N GLU 113.A O no hydrogen 3.019 N/A ALA 118.A N GLU 114.A O no hydrogen 3.007 N/A LEU 119.A N GLU 115.A O no hydrogen 2.679 N/A VAL 120.A N ARG 116.A O no hydrogen 2.733 N/A ALA 121.A N VAL 117.A O no hydrogen 2.944 N/A ILE 123.A N LEU 119.A O no hydrogen 2.910 N/A GLY 124.A N VAL 120.A O no hydrogen 2.867 N/A ASN 126.A N GLN 76.A OE1 no hydrogen 2.750 N/A ASN 126.A ND2 ASN 52.A O no hydrogen 2.817 N/A ASN 128.A N ASN 74.A O no hydrogen 3.228 N/A ARG 130.A N GLU 72.A O no hydrogen 3.018 N/A ARG 130.A NH1 GLU 72.A OE1 no hydrogen 3.276 N/A ARG 130.A NH1 GLU 72.A OE2 no hydrogen 3.379 N/A ARG 130.A NH1 GLU 260.A O no hydrogen 3.017 N/A ARG 130.A NH2 GLU 260.A O no hydrogen 2.719 N/A ARG 131.A NE GLU 72.A OE1 no hydrogen 2.743 N/A ARG 131.A NH2 GLU 72.A OE1 no hydrogen 3.071 N/A ARG 131.A NH2 GLU 257.A O no hydrogen 3.450 N/A ARG 131.A NH2 GLU 260.A OE1 no hydrogen 2.649 N/A ALA 133.A N ILE 70.A O no hydrogen 3.057 N/A LEU 135.A N GLY 68.A O no hydrogen 3.042 N/A GLY 137.A N ASN 66.A O no hydrogen 3.420 N/A VAL 139.A N ALA 155.A O no hydrogen 3.222 N/A GLY 141.A N VAL 153.A O no hydrogen 2.896 N/A TYR 143.A N VAL 151.A O no hydrogen 3.148 N/A TYR 143.A OH HIS 145.A ND1 no hydrogen 2.647 N/A GLN 144.A NE2 ILE 59.A O no hydrogen 3.265 N/A GLN 144.A NE2 GLY 146.A O no hydrogen 3.030 N/A HIS 145.A N ILE 149.A O no hydrogen 2.983 N/A HIS 145.A ND1 TYR 143.A OH no hydrogen 2.647 N/A HIS 145.A NE2 ASP 604.A OD2 no hydrogen 2.832 N/A ARG 148.A NH2 ASP 56.A OD2 no hydrogen 3.077 N/A GLY 150.A N PHE 256.A O no hydrogen 2.907 N/A VAL 151.A N TYR 143.A O no hydrogen 2.960 N/A LEU 152.A N ILE 254.A O no hydrogen 2.885 N/A VAL 153.A N GLY 141.A O no hydrogen 2.922 N/A ALA 154.A N GLY 252.A O no hydrogen 2.988 N/A ALA 155.A N VAL 139.A O no hydrogen 3.016 N/A LYS 156.A N GLU 249.A O no hydrogen 2.864 N/A LYS 156.A NZ GLU 249.A OE1 no hydrogen 2.745 N/A LEU 162.A N ASP 159.A OD1 no hydrogen 2.898 N/A VAL 163.A N ASP 159.A O no hydrogen 3.145 N/A LYS 164.A N GLU 160.A O no hydrogen 3.070 N/A LYS 164.A NZ GLU 598.A OE1 no hydrogen 3.039 N/A HIS 165.A N GLU 161.A O no hydrogen 3.001 N/A ILE 166.A N LEU 162.A O no hydrogen 3.028 N/A ALA 167.A N VAL 163.A O no hydrogen 2.877 N/A MET 168.A N LYS 164.A O no hydrogen 2.905 N/A HIS 169.A N HIS 165.A O no hydrogen 2.929 N/A HIS 169.A NE2 GLN 229.A OE1 no hydrogen 2.773 N/A VAL 170.A N ILE 166.A O no hydrogen 2.828 N/A ALA 171.A N ALA 167.A O no hydrogen 2.990 N/A ALA 172.A N MET 168.A O no hydrogen 3.208 N/A ALA 172.A N HIS 169.A O no hydrogen 2.890 N/A SER 173.A N HIS 169.A O no hydrogen 2.788 N/A LYS 174.A N VAL 170.A O no hydrogen 2.927 N/A GLU 176.A N VAL 224.A O no hydrogen 2.768 N/A PHE 177.A N VAL 224.A O no hydrogen 3.204 N/A LYS 179.A N ASP 182.A OD2 no hydrogen 3.376 N/A ASP 182.A N LYS 179.A O no hydrogen 2.895 N/A VAL 183.A N PRO 180.A O no hydrogen 3.068 N/A VAL 187.A N SER 184.A O no hydrogen 2.630 N/A LYS 190.A NZ VAL 187.A O no hydrogen 3.122 N/A TYR 192.A N VAL 188.A O no hydrogen 2.803 N/A GLN 193.A N GLU 189.A O no hydrogen 3.310 N/A GLN 195.A N GLU 191.A O no hydrogen 2.977 N/A LEU 196.A N TYR 192.A O no hydrogen 3.336 N/A ALA 199.A N GLN 195.A O no hydrogen 3.062 N/A MET 200.A N LEU 196.A O no hydrogen 2.972 N/A ALA 209.A N PRO 205.A O no hydrogen 3.351 N/A GLU 210.A N LYS 206.A O no hydrogen 3.269 N/A LYS 211.A N GLU 207.A O no hydrogen 2.963 N/A MET 212.A N ILE 208.A O no hydrogen 2.846 N/A VAL 213.A N ALA 209.A O no hydrogen 2.736 N/A GLU 214.A N GLU 210.A O no hydrogen 2.764 N/A GLY 215.A N LYS 211.A O no hydrogen 3.130 N/A ARG 216.A N MET 212.A O no hydrogen 2.906 N/A ARG 216.A NH1 GLN 195.A OE1 no hydrogen 3.404 N/A MET 217.A N VAL 213.A O no hydrogen 2.750 N/A LYS 218.A N GLU 214.A O no hydrogen 3.029 N/A LYS 218.A N GLY 215.A O no hydrogen 3.267 N/A LYS 219.A N GLY 215.A O no hydrogen 3.433 N/A PHE 220.A N ARG 216.A O no hydrogen 3.019 N/A THR 221.A N MET 217.A O no hydrogen 3.121 N/A THR 221.A OG1 MET 217.A O no hydrogen 3.296 N/A GLY 222.A N LYS 218.A O no hydrogen 3.065 N/A GLU 223.A N LYS 219.A O no hydrogen 3.092 N/A SER 225.A N GLY 222.A O no hydrogen 3.219 N/A SER 225.A OG THR 221.A O no hydrogen 3.103 N/A SER 225.A OG GLY 222.A O no hydrogen 3.027 N/A LEU 226.A N PHE 177.A O no hydrogen 2.906 N/A THR 227.A N ILE 178.A O no hydrogen 2.932 N/A THR 227.A OG1 ILE 178.A O no hydrogen 3.111 N/A GLY 228.A N SER 225.A O no hydrogen 3.004 N/A GLN 229.A N LEU 226.A O no hydrogen 2.840 N/A GLN 229.A NE2 SER 173.A O no hydrogen 3.081 N/A GLN 229.A NE2 GLU 223.A O no hydrogen 2.794 N/A PHE 231.A N LYS 237.A O no hydrogen 2.778 N/A VAL 232.A N HIS 169.A ND1 no hydrogen 3.244 N/A GLU 234.A N PHE 231.A O no hydrogen 2.955 N/A LYS 237.A N GLU 234.A O no hydrogen 2.904 N/A LYS 237.A NZ GLU 234.A OE1 no hydrogen 3.375 N/A LYS 237.A NZ GLU 245.A OE1 no hydrogen 3.264 N/A LYS 237.A NZ GLU 245.A OE2 no hydrogen 3.179 N/A THR 238.A N GLN 241.A OE1 no hydrogen 2.653 N/A THR 238.A OG1 THR 227.A O no hydrogen 3.186 N/A VAL 239.A N GLN 229.A O no hydrogen 2.842 N/A GLY 240.A N THR 227.A O no hydrogen 3.099 N/A GLN 241.A N THR 238.A OG1 no hydrogen 3.174 N/A LEU 242.A N THR 238.A O no hydrogen 2.988 N/A LEU 243.A N VAL 239.A O no hydrogen 2.935 N/A LYS 244.A N GLY 240.A O no hydrogen 3.102 N/A GLU 245.A N GLN 241.A O no hydrogen 3.144 N/A HIS 246.A N LEU 243.A O no hydrogen 3.045 N/A HIS 246.A ND1 LEU 242.A O no hydrogen 2.956 N/A ASN 247.A N LYS 244.A O no hydrogen 2.825 N/A ALA 248.A N LEU 243.A O no hydrogen 3.096 N/A GLU 249.A N LYS 156.A O no hydrogen 2.968 N/A THR 251.A N ALA 154.A O no hydrogen 2.661 N/A GLY 252.A N ALA 154.A O no hydrogen 3.307 N/A ILE 254.A N LEU 152.A O no hydrogen 2.922 N/A ARG 255.A NE ALA 171.A O no hydrogen 3.159 N/A ARG 255.A NH1 GLU 257.A OE1 no hydrogen 3.034 N/A ARG 255.A NH2 ALA 171.A O no hydrogen 2.999 N/A ARG 255.A NH2 GLU 257.A OE1 no hydrogen 3.136 N/A PHE 256.A N GLY 150.A O no hydrogen 2.943 N/A GLU 257.A N GLU 260.A OE1 no hydrogen 3.021 N/A VAL 258.A N ARG 148.A O no hydrogen 2.900 N/A GLY 259.A N GLU 72.A OE2 no hydrogen 2.934 N/A GLU 260.A N GLU 257.A O no hydrogen 3.063 N/A ILE 262.A N GLY 259.A O no hydrogen 2.841 N/A ALA 270.A N SER 315.A OG no hydrogen 3.220 N/A ALA 271.A N ASP 268.A OD1 no hydrogen 3.303 N/A GLU 272.A N ASP 268.A O no hydrogen 3.044 N/A VAL 273.A N PHE 269.A O no hydrogen 3.028 N/A ALA 274.A N ALA 270.A O no hydrogen 3.043 N/A ALA 275.A N ALA 271.A O no hydrogen 2.733 N/A MET 276.A N GLU 272.A O no hydrogen 3.015 N/A SER 277.A N VAL 273.A O no hydrogen 2.867 N/A SER 277.A OG THR 305.A OG1 no hydrogen 2.668 N/A LYS 278.A N ALA 274.A O no hydrogen 3.031 N/A LYS 278.A N ALA 275.A O no hydrogen 3.051 N/A GLN 279.A N ALA 275.A O no hydrogen 3.478 N/A SER 280.A OG MET 276.A O no hydrogen 3.016 N/A LYS 281.A NZ ASP 320.A OD2 no hydrogen 3.381 N/A LYS 281.A NZ THR 321.A O no hydrogen 2.969 N/A LYS 281.A NZ PRO 322.A O no hydrogen 3.302 N/A VAL 284.A N HIS 325.A O no hydrogen 2.854 N/A ASN 285.A N ASP 349.A OD2 no hydrogen 2.768 N/A VAL 286.A N ALA 327.A O no hydrogen 2.851 N/A GLY 287.A N GLY 350.A O no hydrogen 3.323 N/A THR 288.A N VAL 329.A O no hydrogen 2.994 N/A THR 288.A OG1 HIS 328.A NE2 no hydrogen 3.197 N/A THR 288.A OG1 ASP 330.A OD1 no hydrogen 2.889 N/A ILE 289.A N ILE 352.A O no hydrogen 2.999 N/A HIS 294.A N HIS 291.A O no hydrogen 3.070 N/A HIS 294.A NE2 ASP 359.A OD2 no hydrogen 3.179 N/A LYS 296.A NZ GLY 290.A O no hydrogen 3.567 N/A LYS 296.A NZ ASP 330.A OD1 no hydrogen 3.069 N/A LYS 296.A NZ ASP 330.A OD2 no hydrogen 3.223 N/A LEU 299.A N GLY 295.A O no hydrogen 2.817 N/A THR 300.A N LYS 296.A O no hydrogen 2.970 N/A THR 300.A OG1 LYS 296.A O no hydrogen 2.755 N/A THR 300.A OG1 HIS 328.A NE2 no hydrogen 3.351 N/A ALA 301.A N THR 297.A O no hydrogen 3.029 N/A ALA 302.A N THR 298.A O no hydrogen 2.958 N/A ILE 303.A N LEU 299.A O no hydrogen 2.832 N/A THR 304.A N THR 300.A O no hydrogen 2.964 N/A THR 304.A OG1 THR 300.A O no hydrogen 3.339 N/A THR 304.A OG1 ALA 301.A O no hydrogen 2.802 N/A THR 305.A N ALA 301.A O no hydrogen 2.904 N/A THR 305.A OG1 SER 277.A OG no hydrogen 2.668 N/A THR 305.A OG1 ALA 301.A O no hydrogen 2.966 N/A VAL 306.A N ALA 302.A O no hydrogen 2.925 N/A LEU 307.A N ILE 303.A O no hydrogen 2.960 N/A ALA 308.A N THR 304.A O no hydrogen 3.090 N/A LYS 309.A N THR 305.A O no hydrogen 2.965 N/A LYS 309.A NZ GLU 435.A OE1 no hydrogen 3.347 N/A LYS 309.A NZ GLU 435.A OE2 no hydrogen 2.789 N/A THR 310.A N LEU 307.A O no hydrogen 3.179 N/A THR 310.A OG1 VAL 306.A O no hydrogen 2.829 N/A TYR 311.A N LEU 307.A O no hydrogen 2.551 N/A GLY 312.A N ALA 308.A O no hydrogen 2.781 N/A THR 314.A OG1 ALA 345.A O no hydrogen 3.429 N/A SER 315.A OG ASP 268.A OD1 no hydrogen 3.092 N/A HIS 316.A ND1 THR 314.A O no hydrogen 3.270 N/A VAL 317.A N HIS 328.A O no hydrogen 2.865 N/A TYR 319.A N TYR 326.A O no hydrogen 3.257 N/A TYR 319.A OH HIS 328.A ND1 no hydrogen 2.766 N/A ASP 320.A N GLY 313.A O no hydrogen 3.445 N/A THR 321.A N ARG 324.A O no hydrogen 2.969 N/A THR 321.A OG1 ARG 324.A O no hydrogen 3.568 N/A THR 321.A OG1 ASP 446.A OD1 no hydrogen 2.929 N/A THR 321.A OG1 ASP 446.A OD2 no hydrogen 3.220 N/A ARG 324.A N THR 321.A OG1 no hydrogen 3.190 N/A ARG 324.A NH1 TYR 326.A OH no hydrogen 3.569 N/A ARG 324.A NH1 ILE 449.A O no hydrogen 2.737 N/A ARG 324.A NH2 ILE 449.A O no hydrogen 2.645 N/A HIS 325.A N PRO 282.A O no hydrogen 3.042 N/A HIS 325.A ND1 ASP 320.A OD1 no hydrogen 2.845 N/A TYR 326.A N TYR 319.A O no hydrogen 2.929 N/A TYR 326.A OH ASP 446.A OD1 no hydrogen 2.533 N/A ALA 327.A N VAL 284.A O no hydrogen 2.987 N/A HIS 328.A N VAL 317.A O no hydrogen 2.811 N/A HIS 328.A ND1 TYR 319.A OH no hydrogen 2.766 N/A HIS 328.A NE2 THR 288.A OG1 no hydrogen 3.197 N/A VAL 329.A N VAL 286.A O no hydrogen 3.069 N/A CYS 331.A N THR 288.A O no hydrogen 2.944 N/A CYS 331.A SG THR 288.A O no hydrogen 3.625 N/A HIS 334.A N ASP 78.A OD1 no hydrogen 2.900 N/A HIS 334.A NE2 GLN 374.A OE1 no hydrogen 3.127 N/A ALA 335.A N ASP 78.A OD2 no hydrogen 3.130 N/A TYR 337.A N GLY 333.A O no hydrogen 3.003 N/A VAL 338.A N HIS 334.A O no hydrogen 2.987 N/A LYS 339.A N ALA 335.A O no hydrogen 3.010 N/A LYS 339.A NZ TYR 559.A OH no hydrogen 3.147 N/A LYS 339.A NZ GLU 565.A OE2 no hydrogen 2.977 N/A ASN 340.A N ASP 336.A O no hydrogen 3.015 N/A MET 341.A N TYR 337.A O no hydrogen 2.863 N/A ILE 342.A N VAL 338.A O no hydrogen 2.945 N/A THR 343.A N LYS 339.A O no hydrogen 3.036 N/A THR 343.A OG1 LYS 339.A O no hydrogen 3.198 N/A THR 343.A OG1 ASN 340.A O no hydrogen 3.049 N/A GLY 344.A N MET 341.A O no hydrogen 3.218 N/A ALA 345.A N THR 343.A OG1 no hydrogen 3.239 N/A ALA 346.A N ASN 340.A O no hydrogen 3.143 N/A MET 348.A N TYR 337.A OH no hydrogen 3.035 N/A ASP 349.A N ASN 285.A O no hydrogen 2.729 N/A GLY 350.A N ASN 285.A O no hydrogen 3.308 N/A ALA 351.A N TYR 379.A O no hydrogen 2.939 N/A ILE 352.A N GLY 287.A O no hydrogen 2.755 N/A LEU 353.A N ILE 381.A O no hydrogen 2.797 N/A VAL 354.A N ILE 289.A O no hydrogen 2.844 N/A VAL 355.A N PHE 383.A O no hydrogen 3.124 N/A ALA 356.A N HIS 294.A ND1 no hydrogen 2.921 N/A ALA 357.A N ASN 385.A O no hydrogen 2.899 N/A ASP 359.A N ALA 356.A O no hydrogen 3.026 N/A GLY 360.A N ALA 356.A O no hydrogen 2.808 N/A MET 362.A N THR 365.A OG1 no hydrogen 3.134 N/A GLN 364.A N GLN 364.A OE1 no hydrogen 2.681 N/A GLN 364.A NE2 ILE 123.A O no hydrogen 3.025 N/A THR 365.A N MET 362.A O no hydrogen 3.103 N/A HIS 368.A N GLN 364.A O no hydrogen 2.989 N/A ILE 369.A N THR 365.A O no hydrogen 2.962 N/A LEU 370.A N ARG 366.A O no hydrogen 2.635 N/A LEU 371.A N GLU 367.A O no hydrogen 2.967 N/A ARG 373.A N ILE 369.A O no hydrogen 3.172 N/A ARG 373.A NH1 ASP 411.A O no hydrogen 3.047 N/A GLN 374.A N LEU 370.A O no hydrogen 2.877 N/A VAL 375.A N LEU 371.A O no hydrogen 2.985 N/A GLY 376.A N ARG 373.A O no hydrogen 2.990 N/A VAL 377.A N GLY 372.A O no hydrogen 2.921 N/A ILE 381.A N ALA 351.A O no hydrogen 2.845 N/A VAL 382.A N PRO 418.A O no hydrogen 3.122 N/A PHE 383.A N LEU 353.A O no hydrogen 2.995 N/A LEU 384.A N VAL 420.A O no hydrogen 2.846 N/A ASN 385.A N VAL 355.A O no hydrogen 2.812 N/A ASN 385.A ND2 HIS 294.A O no hydrogen 2.916 N/A CYS 387.A N GLY 422.A O no hydrogen 2.971 N/A CYS 387.A SG LEU 384.A O no hydrogen 3.304 N/A CYS 387.A SG ASN 385.A O no hydrogen 4.033 N/A MET 389.A N LYS 386.A O no hydrogen 3.216 N/A VAL 390.A N CYS 387.A O no hydrogen 3.314 N/A ASP 392.A N ASP 391.A OD1 no hydrogen 2.596 N/A GLU 394.A N ASP 392.A OD1 no hydrogen 2.973 N/A LEU 395.A N ASP 392.A O no hydrogen 3.216 N/A GLU 397.A N GLU 393.A O no hydrogen 3.130 N/A LEU 398.A N GLU 394.A O no hydrogen 3.052 N/A VAL 399.A N LEU 395.A O no hydrogen 3.018 N/A GLU 400.A N LEU 396.A O no hydrogen 2.897 N/A MET 401.A N GLU 397.A O no hydrogen 3.108 N/A GLU 402.A N LEU 398.A O no hydrogen 3.188 N/A VAL 403.A N VAL 399.A O no hydrogen 3.028 N/A ARG 404.A N GLU 400.A O no hydrogen 2.960 N/A ARG 404.A NE GLU 400.A OE1 no hydrogen 3.506 N/A ARG 404.A NH1 GLY 414.A O no hydrogen 2.724 N/A ARG 404.A NH1 THR 417.A O no hydrogen 2.817 N/A ARG 404.A NH2 GLU 400.A OE1 no hydrogen 3.386 N/A ARG 404.A NH2 THR 417.A O no hydrogen 3.322 N/A GLU 405.A N MET 401.A O no hydrogen 3.048 N/A LEU 406.A N GLU 402.A O no hydrogen 3.117 N/A LEU 407.A N VAL 403.A O no hydrogen 2.965 N/A SER 408.A N ARG 404.A O no hydrogen 2.995 N/A SER 408.A OG ARG 404.A O no hydrogen 3.141 N/A GLN 409.A N GLU 405.A O no hydrogen 2.869 N/A TYR 410.A N LEU 407.A O no hydrogen 3.075 N/A ASP 411.A N SER 408.A O no hydrogen 2.981 N/A PHE 412.A N LEU 407.A O no hydrogen 2.864 N/A GLY 414.A N PHE 412.A O no hydrogen 2.677 N/A ASP 416.A N PRO 413.A O no hydrogen 2.923 N/A THR 417.A N GLY 414.A O no hydrogen 3.445 N/A THR 417.A OG1 PRO 413.A O no hydrogen 2.789 N/A VAL 420.A N VAL 382.A O no hydrogen 2.974 N/A ARG 421.A NE GLU 400.A OE2 no hydrogen 2.917 N/A ARG 421.A NH1 GLU 393.A OE2 no hydrogen 2.758 N/A ARG 421.A NH2 GLU 400.A OE2 no hydrogen 3.216 N/A GLY 422.A N LEU 384.A O no hydrogen 2.899 N/A SER 423.A OG ASP 388.A OD1 no hydrogen 2.770 N/A ALA 424.A N ASN 385.A OD1 no hydrogen 2.852 N/A LYS 426.A N SER 423.A OG no hydrogen 3.213 N/A LYS 426.A NZ GLU 429.A OE1 no hydrogen 2.945 N/A ALA 427.A N SER 423.A O no hydrogen 3.145 N/A LEU 428.A N ALA 424.A O no hydrogen 2.948 N/A GLU 429.A N LEU 425.A O no hydrogen 2.916 N/A GLY 430.A N LYS 426.A O no hydrogen 3.249 N/A ASP 431.A N LYS 426.A O no hydrogen 3.130 N/A GLU 433.A N ASP 431.A OD1 no hydrogen 2.966 N/A TRP 434.A N ASP 431.A O no hydrogen 3.198 N/A GLU 435.A N ASP 431.A O no hydrogen 3.017 N/A ALA 436.A N ALA 432.A O no hydrogen 2.983 N/A LYS 437.A N TRP 434.A O no hydrogen 2.904 N/A LYS 437.A NZ GLU 440.A OE1 no hydrogen 3.501 N/A ILE 438.A N TRP 434.A O no hydrogen 3.407 N/A LEU 439.A N GLU 435.A O no hydrogen 3.086 N/A GLU 440.A N ALA 436.A O no hydrogen 2.943 N/A LEU 441.A N LYS 437.A O no hydrogen 2.819 N/A ALA 442.A N ILE 438.A O no hydrogen 2.987 N/A GLY 443.A N LEU 439.A O no hydrogen 2.862 N/A PHE 444.A N GLU 440.A O no hydrogen 3.093 N/A LEU 445.A N LEU 441.A O no hydrogen 3.029 N/A ASP 446.A N ALA 442.A O no hydrogen 3.050 N/A SER 447.A N GLY 443.A O no hydrogen 2.859 N/A SER 447.A OG GLY 443.A O no hydrogen 3.277 N/A TYR 448.A N PHE 444.A O no hydrogen 2.640 N/A ARG 454.A NH1 GLU 451.A OE2 no hydrogen 3.453 N/A ASP 457.A N ARG 454.A O no hydrogen 2.753 N/A LYS 458.A N ALA 455.A O no hydrogen 3.033 N/A LEU 461.A N ARG 483.A O no hydrogen 3.001 N/A LEU 462.A N LEU 542.A O no hydrogen 2.849 N/A ILE 464.A N GLN 540.A O no hydrogen 2.944 N/A GLU 465.A N THR 478.A O no hydrogen 2.880 N/A VAL 467.A N ASP 466.A OD1 no hydrogen 2.807 N/A PHE 468.A N VAL 476.A O no hydrogen 2.774 N/A ILE 470.A N GLY 474.A O no hydrogen 2.832 N/A ARG 473.A N ILE 470.A O no hydrogen 2.878 N/A ARG 473.A NH1 GLU 509.A OE1 no hydrogen 3.545 N/A ARG 473.A NH1 GLU 509.A OE2 no hydrogen 2.877 N/A ARG 473.A NH2 GLU 509.A OE1 no hydrogen 2.932 N/A GLY 474.A N ILE 470.A O no hydrogen 2.879 N/A THR 475.A OG1 ILE 531.A O no hydrogen 2.620 N/A VAL 476.A N PHE 468.A O no hydrogen 2.951 N/A VAL 477.A N VAL 526.A O no hydrogen 3.067 N/A THR 478.A N ASP 466.A O no hydrogen 3.050 N/A GLY 479.A N VAL 524.A O no hydrogen 3.258 N/A VAL 481.A N GLU 522.A O no hydrogen 2.894 N/A GLU 482.A N LEU 461.A O no hydrogen 2.789 N/A ARG 483.A N LEU 461.A O no hydrogen 3.310 N/A GLY 484.A N ALA 455.A O no hydrogen 2.908 N/A ILE 486.A N GLY 518.A O no hydrogen 2.726 N/A LYS 487.A N GLU 490.A OE1 no hydrogen 3.059 N/A VAL 488.A N ASP 516.A O no hydrogen 2.864 N/A GLY 489.A N CYS 505.A O no hydrogen 2.768 N/A GLU 490.A N LYS 487.A O no hydrogen 3.032 N/A VAL 492.A N SER 503.A O no hydrogen 2.911 N/A GLU 493.A N ALA 543.A O no hydrogen 2.897 N/A ILE 494.A N GLN 501.A O no hydrogen 2.861 N/A VAL 495.A N VAL 541.A O no hydrogen 2.904 N/A ILE 497.A N PRO 615.A O no hydrogen 2.879 N/A LYS 498.A N GLY 496.A O no hydrogen 2.526 N/A GLN 501.A N ILE 494.A O no hydrogen 3.332 N/A SER 503.A N VAL 492.A O no hydrogen 2.910 N/A SER 503.A OG ARG 529.A O no hydrogen 2.874 N/A THR 504.A N SER 503.A OG no hydrogen 2.612 N/A CYS 505.A N GLU 490.A O no hydrogen 2.956 N/A CYS 505.A SG GLY 507.A O no hydrogen 3.343 N/A THR 506.A N LEU 527.A O no hydrogen 2.826 N/A GLU 509.A N GLY 525.A O no hydrogen 2.849 N/A MET 510.A N LYS 513.A O no hydrogen 2.899 N/A LEU 515.A N VAL 508.A O no hydrogen 2.737 N/A GLY 518.A N ILE 486.A O no hydrogen 2.719 N/A ARG 519.A N GLU 522.A OE1 no hydrogen 3.142 N/A ARG 519.A NE GLU 517.A OE2 no hydrogen 2.961 N/A ALA 520.A N GLY 484.A O no hydrogen 2.943 N/A GLY 521.A N VAL 481.A O no hydrogen 2.779 N/A GLU 522.A N ARG 519.A O no hydrogen 2.937 N/A VAL 524.A N GLY 479.A O no hydrogen 3.003 N/A GLY 525.A N GLU 509.A O no hydrogen 2.768 N/A VAL 526.A N VAL 477.A O no hydrogen 2.834 N/A LEU 527.A N GLY 507.A O no hydrogen 2.859 N/A LEU 528.A N THR 475.A O no hydrogen 2.968 N/A ARG 529.A N THR 504.A O no hydrogen 2.886 N/A ILE 531.A N ARG 529.A O no hydrogen 2.906 N/A LYS 532.A N GLU 535.A OE1 no hydrogen 2.718 N/A LYS 532.A NZ GLY 530.A O no hydrogen 3.169 N/A GLU 535.A N LYS 532.A O no hydrogen 2.953 N/A ILE 536.A N ARG 533.A O no hydrogen 3.118 N/A GLU 537.A N GLN 540.A OE1 no hydrogen 2.821 N/A ARG 538.A NE GLU 465.A O no hydrogen 2.697 N/A ARG 538.A NH1 THR 584.A O no hydrogen 2.992 N/A GLY 539.A N ILE 464.A O no hydrogen 3.305 N/A GLN 540.A N GLU 537.A O no hydrogen 3.199 N/A GLN 540.A NE2 GLY 496.A O no hydrogen 2.962 N/A VAL 541.A N VAL 495.A O no hydrogen 2.991 N/A LEU 542.A N LEU 462.A O no hydrogen 2.895 N/A ALA 543.A N GLU 493.A O no hydrogen 2.959 N/A LYS 544.A N PHE 460.A O no hydrogen 3.118 N/A GLY 546.A N GLU 493.A OE1 no hydrogen 2.931 N/A THR 547.A N LYS 544.A O no hydrogen 3.101 N/A THR 547.A OG1 LYS 544.A O no hydrogen 2.535 N/A HIS 551.A N ILE 616.A O no hydrogen 2.946 N/A PHE 554.A N VAL 610.A O no hydrogen 3.026 N/A GLU 555.A N LYS 640.A O no hydrogen 2.752 N/A SER 556.A N MET 608.A O no hydrogen 2.780 N/A SER 556.A OG MET 608.A O no hydrogen 2.944 N/A GLU 557.A N VAL 637.A O no hydrogen 3.065 N/A VAL 558.A N ILE 606.A O no hydrogen 2.722 N/A TYR 559.A N ALA 635.A O no hydrogen 2.802 N/A TYR 559.A OH GLU 565.A OE1 no hydrogen 2.474 N/A TYR 559.A OH GLU 565.A OE2 no hydrogen 3.258 N/A ILE 560.A N ASP 604.A O no hydrogen 2.939 N/A LEU 561.A N VAL 633.A O no hydrogen 2.914 N/A SER 562.A N GLU 565.A OE1 no hydrogen 2.872 N/A SER 562.A OG GLU 565.A OE1 no hydrogen 3.236 N/A LYS 563.A NZ ASP 564.A OD1 no hydrogen 2.764 N/A GLU 565.A N SER 562.A OG no hydrogen 3.052 N/A GLY 566.A N LYS 563.A O no hydrogen 2.764 N/A GLY 567.A N SER 562.A O no hydrogen 3.060 N/A ARG 568.A NE THR 570.A O no hydrogen 3.131 N/A ARG 568.A NH1 THR 570.A O no hydrogen 3.322 N/A ARG 568.A NH1 PRO 571.A O no hydrogen 2.905 N/A ARG 568.A NH2 GLU 628.A OE2 no hydrogen 2.949 N/A PHE 572.A N VAL 600.A O no hydrogen 3.034 N/A TYR 576.A N PHE 573.A O no hydrogen 3.249 N/A TYR 576.A OH GLU 628.A OE2 no hydrogen 2.690 N/A GLN 579.A N ARG 627.A O no hydrogen 2.882 N/A PHE 580.A N VAL 587.A O no hydrogen 2.721 N/A TYR 581.A N ALA 625.A O no hydrogen 2.793 N/A PHE 582.A N THR 585.A O no hydrogen 3.066 N/A ARG 583.A NH1 ALA 617.A O no hydrogen 2.890 N/A ARG 583.A NH2 ALA 617.A O no hydrogen 3.435 N/A THR 584.A N PHE 582.A O no hydrogen 2.722 N/A THR 584.A OG1 ILE 464.A O no hydrogen 3.506 N/A THR 585.A OG1 ASP 586.A O no hydrogen 3.481 N/A VAL 587.A N PHE 580.A O no hydrogen 2.778 N/A THR 588.A OG1 GLN 579.A OE1 no hydrogen 2.633 N/A THR 590.A N THR 611.A O no hydrogen 2.918 N/A GLU 592.A N VAL 609.A O no hydrogen 2.808 N/A VAL 597.A N PRO 594.A O no hydrogen 3.042 N/A VAL 600.A N PHE 572.A O no hydrogen 3.003 N/A MET 601.A N ASP 604.A OD2 no hydrogen 2.883 N/A GLY 603.A N ILE 560.A O no hydrogen 2.710 N/A ASP 604.A N MET 601.A O no hydrogen 3.157 N/A ASN 605.A ND2 ALA 335.A O no hydrogen 3.006 N/A ILE 606.A N VAL 558.A O no hydrogen 2.827 N/A MET 608.A N SER 556.A O no hydrogen 3.048 N/A VAL 609.A N GLU 592.A O no hydrogen 3.214 N/A VAL 610.A N PHE 554.A O no hydrogen 2.831 N/A THR 611.A N THR 590.A O no hydrogen 2.853 N/A LEU 612.A N THR 552.A O no hydrogen 2.692 N/A ILE 613.A N THR 588.A O no hydrogen 2.844 N/A ILE 616.A N HIS 551.A O no hydrogen 2.879 N/A MET 618.A N LYS 549.A O no hydrogen 3.144 N/A GLY 621.A N VAL 638.A O no hydrogen 2.810 N/A LEU 622.A N ASP 619.A O no hydrogen 3.141 N/A PHE 624.A N GLY 636.A O no hydrogen 2.891 N/A ALA 625.A N TYR 581.A O no hydrogen 3.242 N/A ILE 626.A N GLY 634.A O no hydrogen 2.952 N/A ARG 627.A N GLN 579.A O no hydrogen 2.748 N/A ARG 627.A NE ASP 586.A OD1 no hydrogen 2.905 N/A ARG 627.A NH2 ASP 586.A OD1 no hydrogen 3.206 N/A ARG 627.A NH2 ASP 586.A OD2 no hydrogen 2.731 N/A GLU 628.A N ARG 631.A O no hydrogen 2.889 N/A ARG 631.A N GLU 628.A O no hydrogen 3.030 N/A ARG 631.A NH1 GLY 567.A O no hydrogen 3.183 N/A VAL 633.A N ILE 626.A O no hydrogen 2.849 N/A GLY 634.A N ILE 626.A O no hydrogen 3.267 N/A ALA 635.A N TYR 559.A O no hydrogen 2.861 N/A GLY 636.A N PHE 624.A O no hydrogen 2.745 N/A VAL 637.A N GLU 557.A O no hydrogen 3.021 N/A VAL 638.A N LEU 622.A O no hydrogen 2.825 N/A ALA 639.A N GLU 555.A O no hydrogen 2.776 N/A LYS 640.A N GLU 555.A O no hydrogen 3.255 N/A LEU 642.A N LYS 553.A O no hydrogen 2.787 N/A