Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kgp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N SER 1.A O no hydrogen 3.008 N/A ALA 7.A N VAL 3.A O no hydrogen 3.417 N/A PHE 8.A N GLU 4.A O no hydrogen 3.135 N/A GLN 9.A N GLY 5.A O no hydrogen 2.802 N/A GLN 9.A NE2 LEU 166.A O no hydrogen 3.164 N/A SER 10.A N ALA 6.A O no hydrogen 3.113 N/A SER 10.A N ALA 7.A O no hydrogen 2.924 N/A SER 10.A OG ALA 6.A O no hydrogen 2.932 N/A ARG 11.A N PHE 8.A O no hydrogen 2.881 N/A ARG 11.A NH1 GLY 168.A O no hydrogen 2.879 N/A LEU 12.A N ALA 7.A O no hydrogen 2.933 N/A THR 18.A N GLU 21.A OE1 no hydrogen 2.982 N/A GLU 21.A N THR 18.A OG1 no hydrogen 3.191 N/A ALA 22.A N THR 18.A O no hydrogen 2.896 N/A ALA 23.A N SER 19.A O no hydrogen 2.889 N/A CYS 24.A N GLN 20.A O no hydrogen 3.154 N/A CYS 24.A SG GLN 20.A O no hydrogen 3.515 N/A PHE 25.A N GLU 21.A O no hydrogen 2.787 N/A ILE 28.A N PHE 25.A O no hydrogen 2.808 N/A ILE 29.A N PHE 25.A O no hydrogen 3.272 N/A SER 30.A N PRO 26.A O no hydrogen 3.151 N/A SER 30.A OG PRO 26.A O no hydrogen 2.832 N/A SER 30.A OG ASP 27.A O no hydrogen 3.564 N/A GLY 31.A N ILE 28.A O no hydrogen 3.199 N/A THR 35.A OG1 PRO 32.A O no hydrogen 2.589 N/A GLN 36.A N PRO 32.A O no hydrogen 3.350 N/A GLN 36.A NE2 ILE 28.A O no hydrogen 3.207 N/A GLN 36.A NE2 GLY 31.A O no hydrogen 3.023 N/A LYS 37.A N GLN 33.A O no hydrogen 3.015 N/A VAL 38.A N GLN 34.A O no hydrogen 3.127 N/A PHE 39.A N THR 35.A O no hydrogen 2.872 N/A LEU 40.A N GLN 36.A O no hydrogen 2.988 N/A PHE 41.A N LYS 37.A O no hydrogen 2.933 N/A ILE 42.A N VAL 38.A O no hydrogen 2.826 N/A ARG 43.A N PHE 39.A O no hydrogen 2.835 N/A ARG 43.A NE GLU 21.A OE2 no hydrogen 2.781 N/A ARG 43.A NH1 PRO 13.A O no hydrogen 2.884 N/A ARG 43.A NH1 ASN 44.A OD1 no hydrogen 2.998 N/A ARG 43.A NH2 PRO 13.A O no hydrogen 3.397 N/A ARG 43.A NH2 ARG 16.A O no hydrogen 2.950 N/A ARG 43.A NH2 GLU 21.A OE1 no hydrogen 2.878 N/A ARG 43.A NH2 GLU 21.A OE2 no hydrogen 3.298 N/A ASN 44.A N LEU 40.A O no hydrogen 2.863 N/A ASN 44.A ND2 HIS 14.A O no hydrogen 3.048 N/A ARG 45.A N PHE 41.A O no hydrogen 2.852 N/A ARG 45.A NH1 GLN 48.A OE1 no hydrogen 2.945 N/A THR 46.A N ILE 42.A O no hydrogen 2.875 N/A THR 46.A OG1 ILE 42.A O no hydrogen 2.642 N/A LEU 47.A N ARG 43.A O no hydrogen 2.975 N/A GLN 48.A N ASN 44.A O no hydrogen 2.915 N/A LEU 49.A N ARG 45.A O no hydrogen 2.922 N/A TRP 50.A N THR 46.A O no hydrogen 3.264 N/A LEU 51.A N LEU 47.A O no hydrogen 2.839 N/A ASP 52.A N GLN 48.A O no hydrogen 2.788 N/A ASN 53.A N TRP 50.A O no hydrogen 2.988 N/A GLN 57.A N LYS 97.A O no hydrogen 2.937 N/A LEU 58.A N ASN 92.A OD1 no hydrogen 2.770 N/A ALA 62.A N THR 59.A OG1 no hydrogen 3.027 N/A THR 63.A N THR 59.A O no hydrogen 2.844 N/A THR 63.A OG1 THR 59.A O no hydrogen 2.860 N/A LEU 64.A N PHE 60.A O no hydrogen 2.809 N/A GLN 65.A N GLU 61.A O no hydrogen 2.814 N/A GLN 66.A N ALA 62.A O no hydrogen 3.243 N/A GLN 66.A N THR 63.A O no hydrogen 3.152 N/A GLN 66.A NE2 ALA 62.A O no hydrogen 2.984 N/A LEU 67.A N THR 63.A O no hydrogen 3.177 N/A LEU 67.A N LEU 64.A O no hydrogen 3.451 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.442 N/A TYR 71.A N GLU 68.A O no hydrogen 2.906 N/A ASN 72.A N GLU 68.A O no hydrogen 3.411 N/A SER 73.A N PRO 70.A O no hydrogen 3.077 N/A SER 73.A OG PRO 70.A O no hydrogen 3.383 N/A LEU 77.A N ASP 74.A OD1 no hydrogen 3.324 N/A VAL 78.A N ASP 74.A O no hydrogen 3.054 N/A HIS 79.A N THR 75.A O no hydrogen 2.979 N/A ARG 80.A N VAL 76.A O no hydrogen 2.886 N/A ARG 80.A NH1 ASP 27.A OD1 no hydrogen 3.558 N/A ARG 80.A NH1 ASP 27.A OD2 no hydrogen 2.890 N/A ARG 80.A NH2 ASP 27.A OD1 no hydrogen 2.791 N/A VAL 81.A N LEU 77.A O no hydrogen 2.847 N/A HIS 82.A N VAL 78.A O no hydrogen 2.851 N/A HIS 82.A NE2 LEU 58.A O no hydrogen 2.710 N/A SER 83.A N HIS 79.A O no hydrogen 2.924 N/A SER 83.A OG HIS 79.A O no hydrogen 2.957 N/A TYR 84.A N ARG 80.A O no hydrogen 3.162 N/A LEU 85.A N VAL 81.A O no hydrogen 2.967 N/A GLU 86.A N HIS 82.A O no hydrogen 2.863 N/A ARG 87.A N SER 83.A O no hydrogen 2.812 N/A ARG 87.A NH1 ASP 642.A OD1 no hydrogen 2.665 N/A ARG 87.A NH1 GLY 646.A O no hydrogen 3.130 N/A HIS 88.A N TYR 84.A O no hydrogen 3.079 N/A HIS 88.A ND1 TYR 84.A O no hydrogen 3.041 N/A GLY 89.A N GLU 86.A O no hydrogen 3.062 N/A LEU 90.A N LEU 85.A O no hydrogen 2.938 N/A ASN 92.A ND2 LEU 58.A O no hydrogen 2.969 N/A ASN 92.A ND2 GLU 86.A OE1 no hydrogen 2.803 N/A ILE 95.A N GLN 177.A OE1 no hydrogen 2.729 N/A TYR 96.A OH ASN 92.A O no hydrogen 3.228 N/A LYS 97.A N LYS 55.A O no hydrogen 2.789 N/A ARG 98.A NH1 SER 128.A OG no hydrogen 2.336 N/A ILE 99.A N GLN 57.A OE1 no hydrogen 2.928 N/A LYS 100.A N GLN 57.A OE1 no hydrogen 3.324 N/A LYS 106.A NZ PRO 103.A O no hydrogen 3.277 N/A THR 107.A N GLY 130.A O no hydrogen 3.031 N/A LYS 109.A N ASP 441.A OD2 no hydrogen 2.795 N/A LYS 109.A NZ ASP 132.A OD1 no hydrogen 2.639 N/A LYS 109.A NZ THR 134.A OG1 no hydrogen 2.668 N/A VAL 110.A N ASP 132.A O no hydrogen 2.844 N/A ILE 111.A N ALA 442.A O no hydrogen 3.134 N/A ILE 112.A N THR 134.A O no hydrogen 2.918 N/A ILE 113.A N LEU 444.A O no hydrogen 2.833 N/A GLY 114.A N LEU 136.A O no hydrogen 2.806 N/A SER 115.A N GLU 137.A OE1 no hydrogen 2.697 N/A LEU 120.A N GLY 116.A O no hydrogen 2.773 N/A ALA 121.A N VAL 117.A O no hydrogen 2.847 N/A ALA 122.A N SER 118.A O no hydrogen 3.065 N/A ALA 123.A N GLY 119.A O no hydrogen 2.850 N/A ARG 124.A N LEU 120.A O no hydrogen 3.035 N/A ARG 124.A NE GLY 94.A O no hydrogen 3.108 N/A ARG 124.A NH1 LEU 400.A O no hydrogen 2.876 N/A ARG 124.A NH1 GLU 402.A O no hydrogen 2.844 N/A GLN 125.A N ALA 121.A O no hydrogen 3.273 N/A LEU 126.A N ALA 122.A O no hydrogen 2.871 N/A GLN 127.A N ALA 123.A O no hydrogen 2.866 N/A SER 128.A N ARG 124.A O no hydrogen 2.957 N/A SER 128.A OG TYR 96.A OH no hydrogen 3.369 N/A SER 128.A OG ARG 124.A O no hydrogen 3.081 N/A PHE 129.A N GLN 125.A O no hydrogen 2.775 N/A GLY 130.A N GLN 127.A O no hydrogen 3.099 N/A MET 131.A N LEU 126.A O no hydrogen 3.072 N/A ASP 132.A N GLY 108.A O no hydrogen 2.884 N/A THR 134.A N VAL 110.A O no hydrogen 3.084 N/A THR 134.A OG1 ASP 405.A OD2 no hydrogen 3.043 N/A LEU 135.A N ASP 405.A O no hydrogen 2.978 N/A LEU 136.A N ILE 112.A O no hydrogen 2.916 N/A GLU 137.A N LYS 407.A O no hydrogen 2.877 N/A ARG 139.A N GLU 137.A OE2 no hydrogen 2.836 N/A ARG 139.A NH1 ASP 576.A OD2 no hydrogen 2.801 N/A ARG 139.A NH2 ASP 576.A OD2 no hydrogen 2.699 N/A ARG 141.A NH1 VAL 142.A O no hydrogen 3.067 N/A ARG 141.A NH1 GLY 144.A O no hydrogen 3.165 N/A ARG 141.A NH2 GLY 144.A O no hydrogen 2.954 N/A GLY 143.A N SER 115.A O no hydrogen 2.924 N/A ARG 145.A NH1 SER 582.A O no hydrogen 2.882 N/A ARG 145.A NH1 GLU 616.A OE2 no hydrogen 3.067 N/A VAL 146.A N GLY 143.A O no hydrogen 2.868 N/A THR 148.A OG1 ASP 157.A OD1 no hydrogen 2.552 N/A PHE 149.A N ALA 156.A O no hydrogen 2.744 N/A ARG 150.A NE SER 394.A OG no hydrogen 3.257 N/A ARG 150.A NH1 ASN 391.A O no hydrogen 3.042 N/A ARG 150.A NH2 ASN 391.A O no hydrogen 2.870 N/A ARG 150.A NH2 GLY 392.A O no hydrogen 3.354 N/A ARG 150.A NH2 SER 394.A OG no hydrogen 2.799 N/A LYS 151.A N TYR 154.A O no hydrogen 3.087 N/A LYS 151.A NZ GLU 567.A OE1 no hydrogen 2.966 N/A LYS 151.A NZ GLU 567.A OE2 no hydrogen 3.538 N/A TYR 154.A N LYS 151.A O no hydrogen 2.857 N/A TYR 154.A OH PHE 488.A O no hydrogen 3.384 N/A ALA 156.A N PHE 149.A O no hydrogen 3.018 N/A ASP 157.A N TYR 520.A OH no hydrogen 2.967 N/A LEU 158.A N ALA 147.A O no hydrogen 2.761 N/A ALA 160.A N ARG 145.A O no hydrogen 3.145 N/A VAL 163.A N LEU 387.A O no hydrogen 2.745 N/A GLY 167.A N THR 383.A O no hydrogen 2.894 N/A GLY 168.A N GLN 9.A OE1 no hydrogen 3.076 N/A ASN 169.A N LEU 166.A O no hydrogen 3.019 N/A ASN 169.A ND2 THR 164.A O no hydrogen 3.347 N/A ASN 169.A ND2 GLY 165.A O no hydrogen 3.137 N/A MET 171.A N ASN 169.A OD1 no hydrogen 2.888 N/A ALA 172.A N ASN 169.A O no hydrogen 3.019 N/A VAL 173.A N PRO 170.A O no hydrogen 3.075 N/A VAL 174.A N PRO 170.A O no hydrogen 3.277 N/A SER 175.A N MET 171.A O no hydrogen 2.711 N/A LYS 176.A N ALA 172.A O no hydrogen 3.328 N/A GLN 177.A N VAL 173.A O no hydrogen 3.020 N/A GLN 177.A NE2 PRO 54.A O no hydrogen 2.934 N/A GLN 177.A NE2 PHE 93.A O no hydrogen 2.835 N/A VAL 178.A N VAL 174.A O no hydrogen 2.763 N/A ASN 179.A N SER 175.A O no hydrogen 2.817 N/A MET 180.A N SER 175.A O no hydrogen 3.253 N/A GLU 181.A N ASN 391.A OD1 no hydrogen 3.118 N/A ALA 183.A N THR 388.A O no hydrogen 2.974 N/A ILE 185.A N HIS 386.A O no hydrogen 3.071 N/A LYS 186.A N ASN 498.A OD1 no hydrogen 2.860 N/A LYS 186.A NZ SER 496.A O no hydrogen 3.426 N/A TYR 192.A N GLY 501.A O no hydrogen 2.937 N/A GLU 193.A N GLN 197.A O no hydrogen 2.716 N/A GLY 196.A N GLU 193.A O no hydrogen 2.566 N/A GLN 197.A N ASN 195.A OD1 no hydrogen 2.935 N/A VAL 199.A N LEU 191.A O no hydrogen 2.908 N/A LYS 203.A NZ ASP 347.A OD1 no hydrogen 2.650 N/A ASP 204.A N PRO 200.A O no hydrogen 2.951 N/A GLU 205.A N LYS 201.A O no hydrogen 2.891 N/A MET 206.A N GLU 202.A O no hydrogen 2.913 N/A VAL 207.A N LYS 203.A O no hydrogen 2.851 N/A GLU 208.A N ASP 204.A O no hydrogen 3.019 N/A GLN 209.A N GLU 205.A O no hydrogen 2.971 N/A GLU 210.A N MET 206.A O no hydrogen 3.069 N/A PHE 211.A N VAL 207.A O no hydrogen 2.849 N/A ASN 212.A N GLU 208.A O no hydrogen 2.937 N/A ARG 213.A N GLN 209.A O no hydrogen 2.963 N/A ARG 213.A NH2 GLN 209.A OE1 no hydrogen 2.378 N/A LEU 214.A N GLU 210.A O no hydrogen 2.855 N/A LEU 215.A N PHE 211.A O no hydrogen 2.998 N/A GLU 216.A N ASN 212.A O no hydrogen 2.954 N/A ALA 217.A N ARG 213.A O no hydrogen 2.904 N/A THR 218.A N LEU 214.A O no hydrogen 3.136 N/A THR 218.A OG1 LEU 215.A O no hydrogen 2.513 N/A SER 219.A N LEU 215.A O no hydrogen 3.111 N/A TYR 220.A N GLU 216.A O no hydrogen 2.923 N/A LEU 221.A N ALA 217.A O no hydrogen 2.819 N/A SER 222.A N THR 218.A O no hydrogen 2.736 N/A SER 222.A OG ASN 228.A OD1 no hydrogen 2.596 N/A HIS 223.A N SER 219.A O no hydrogen 2.768 N/A GLN 224.A N TYR 220.A O no hydrogen 2.860 N/A LEU 225.A N TYR 220.A O no hydrogen 3.091 N/A PHE 227.A N LEU 221.A O no hydrogen 2.984 N/A ASN 228.A ND2 SER 222.A O no hydrogen 3.255 N/A ASN 228.A ND2 ASP 226.A OD1 no hydrogen 2.889 N/A LEU 230.A N LYS 233.A O no hydrogen 2.918 N/A LYS 233.A N LEU 230.A O no hydrogen 2.947 N/A VAL 235.A N ASN 228.A O no hydrogen 2.844 N/A SER 236.A N GLN 239.A OE1 no hydrogen 3.199 N/A SER 236.A OG SER 367.A O no hydrogen 3.169 N/A LEU 237.A N LEU 369.A O no hydrogen 3.053 N/A GLY 238.A N LEU 366.A O no hydrogen 2.948 N/A GLN 239.A N SER 236.A OG no hydrogen 3.099 N/A ALA 240.A N SER 236.A O no hydrogen 2.803 N/A LEU 241.A N LEU 237.A O no hydrogen 2.867 N/A GLU 242.A N GLY 238.A O no hydrogen 3.016 N/A VAL 243.A N GLN 239.A O no hydrogen 3.138 N/A VAL 244.A N ALA 240.A O no hydrogen 3.021 N/A ILE 245.A N LEU 241.A O no hydrogen 3.020 N/A GLN 246.A N GLU 242.A O no hydrogen 2.954 N/A LEU 247.A N VAL 243.A O no hydrogen 3.097 N/A GLN 248.A N VAL 244.A O no hydrogen 3.206 N/A GLU 249.A N ILE 245.A O no hydrogen 3.004 N/A LYS 250.A N GLN 246.A O no hydrogen 2.901 N/A LYS 250.A NZ ASP 254.A OD2 no hydrogen 2.935 N/A HIS 251.A N LEU 247.A O no hydrogen 2.902 N/A VAL 252.A N GLN 248.A O no hydrogen 3.032 N/A LYS 253.A N GLU 249.A O no hydrogen 2.953 N/A ASP 254.A N LYS 250.A O no hydrogen 2.863 N/A GLU 255.A N HIS 251.A O no hydrogen 3.049 N/A GLN 256.A N VAL 252.A O no hydrogen 3.000 N/A ILE 257.A N LYS 253.A O no hydrogen 2.936 N/A GLU 258.A N ASP 254.A O no hydrogen 2.856 N/A HIS 259.A N GLU 255.A O no hydrogen 3.052 N/A TRP 260.A N GLN 256.A O no hydrogen 2.996 N/A LYS 261.A N ILE 257.A O no hydrogen 2.913 N/A LYS 262.A N GLU 258.A O no hydrogen 3.039 N/A ILE 263.A N HIS 259.A O no hydrogen 3.041 N/A VAL 264.A N TRP 260.A O no hydrogen 2.882 N/A LYS 265.A N LYS 261.A O no hydrogen 2.976 N/A THR 266.A N LYS 262.A O no hydrogen 3.113 N/A THR 266.A OG1 LYS 262.A O no hydrogen 2.980 N/A GLN 267.A N ILE 263.A O no hydrogen 2.821 N/A GLU 268.A N VAL 264.A O no hydrogen 2.763 N/A GLU 269.A N LYS 265.A O no hydrogen 2.931 N/A LEU 270.A N THR 266.A O no hydrogen 3.056 N/A LYS 271.A N GLN 267.A O no hydrogen 2.822 N/A GLU 272.A N GLU 268.A O no hydrogen 2.910 N/A LEU 273.A N GLU 269.A O no hydrogen 2.858 N/A LEU 274.A N LEU 270.A O no hydrogen 2.786 N/A ASN 275.A N LYS 271.A O no hydrogen 3.072 N/A LYS 276.A N GLU 272.A O no hydrogen 2.895 N/A MET 277.A N LEU 273.A O no hydrogen 2.820 N/A VAL 278.A N LEU 274.A O no hydrogen 2.765 N/A ASN 279.A N ASN 275.A O no hydrogen 3.206 N/A LEU 280.A N LYS 276.A O no hydrogen 3.095 N/A LYS 281.A N MET 277.A O no hydrogen 2.951 N/A GLU 282.A N VAL 278.A O no hydrogen 3.097 N/A LYS 283.A N ASN 279.A O no hydrogen 2.881 N/A ILE 284.A N LEU 280.A O no hydrogen 2.845 N/A LYS 285.A N LYS 281.A O no hydrogen 2.519 N/A LYS 285.A NZ GLU 282.A OE2 no hydrogen 3.191 N/A GLU 286.A N GLU 282.A O no hydrogen 3.069 N/A LEU 287.A N LYS 283.A O no hydrogen 3.190 N/A HIS 288.A N ILE 284.A O no hydrogen 2.554 N/A GLN 289.A N LYS 285.A O no hydrogen 3.276 N/A GLN 290.A N GLU 286.A O no hydrogen 3.297 N/A LYS 292.A N GLN 289.A O no hydrogen 3.179 N/A GLU 293.A N GLN 289.A O no hydrogen 3.212 N/A THR 297.A N ASP 295.A OD1 no hydrogen 3.220 N/A GLU 299.A N ASP 295.A O no hydrogen 2.983 N/A PHE 300.A N ILE 296.A O no hydrogen 3.147 N/A LEU 301.A N ALA 298.A O no hydrogen 2.894 N/A VAL 302.A N ALA 298.A O no hydrogen 3.050 N/A SER 304.A N PHE 300.A O no hydrogen 3.186 N/A SER 304.A OG PHE 300.A O no hydrogen 2.790 N/A LYS 305.A N LEU 301.A O no hydrogen 2.802 N/A HIS 306.A N VAL 302.A O no hydrogen 2.612 N/A ARG 307.A N LYS 303.A O no hydrogen 2.843 N/A ASP 308.A N SER 304.A O no hydrogen 2.772 N/A LEU 309.A N LYS 305.A O no hydrogen 2.758 N/A THR 310.A N HIS 306.A O no hydrogen 3.101 N/A THR 310.A OG1 HIS 306.A O no hydrogen 2.842 N/A ALA 311.A N ASP 308.A O no hydrogen 3.213 N/A LEU 312.A N ASP 308.A O no hydrogen 3.322 N/A CYS 313.A N LEU 309.A O no hydrogen 3.087 N/A CYS 313.A SG LEU 309.A O no hydrogen 3.423 N/A LYS 314.A N THR 310.A O no hydrogen 3.079 N/A GLU 315.A N ALA 311.A O no hydrogen 2.848 N/A TYR 316.A N LEU 312.A O no hydrogen 2.853 N/A ASP 317.A N CYS 313.A O no hydrogen 3.051 N/A GLU 318.A N LYS 314.A O no hydrogen 3.253 N/A LEU 319.A N GLU 315.A O no hydrogen 3.212 N/A ALA 320.A N TYR 316.A O no hydrogen 3.085 N/A GLU 321.A N ASP 317.A O no hydrogen 3.106 N/A GLU 321.A N GLU 318.A O no hydrogen 3.130 N/A THR 322.A N GLU 318.A O no hydrogen 3.253 N/A GLN 323.A N LEU 319.A O no hydrogen 2.893 N/A GLY 324.A N ALA 320.A O no hydrogen 3.344 N/A LYS 325.A N GLU 321.A O no hydrogen 3.416 N/A LEU 326.A N THR 322.A O no hydrogen 2.997 N/A GLU 327.A N GLN 323.A O no hydrogen 3.133 N/A GLU 328.A N GLY 324.A O no hydrogen 2.927 N/A LEU 330.A N LEU 326.A O no hydrogen 2.763 N/A GLN 331.A N GLU 327.A O no hydrogen 3.174 N/A GLU 332.A N GLU 328.A O no hydrogen 3.253 N/A LEU 333.A N LYS 329.A O no hydrogen 3.245 N/A GLU 334.A N LEU 330.A O no hydrogen 3.099 N/A ALA 335.A N GLN 331.A O no hydrogen 3.242 N/A ASN 336.A N LEU 333.A O no hydrogen 3.335 N/A ASN 336.A ND2 GLU 332.A O no hydrogen 2.605 N/A TYR 342.A OH GLU 210.A OE1 no hydrogen 2.637 N/A SER 344.A N ASP 347.A OD2 no hydrogen 3.257 N/A ARG 346.A NE GLU 193.A OE1 no hydrogen 2.811 N/A ASP 347.A N SER 344.A OG no hydrogen 2.995 N/A ARG 348.A N SER 344.A O no hydrogen 2.750 N/A ARG 348.A NE ASP 352.A OD1 no hydrogen 3.237 N/A ARG 348.A NE ASP 352.A OD2 no hydrogen 3.108 N/A ARG 348.A NH2 ASP 352.A OD1 no hydrogen 2.621 N/A GLN 349.A N SER 345.A O no hydrogen 3.199 N/A GLN 349.A NE2 SER 505.A O no hydrogen 2.916 N/A ILE 350.A N ARG 346.A O no hydrogen 2.937 N/A LEU 351.A N ASP 347.A O no hydrogen 2.823 N/A ASP 352.A N ARG 348.A O no hydrogen 2.799 N/A TRP 353.A N GLN 349.A O no hydrogen 3.130 N/A TRP 353.A N ILE 350.A O no hydrogen 2.947 N/A TRP 353.A NE1 PHE 514.A O no hydrogen 2.897 N/A HIS 354.A N ILE 350.A O no hydrogen 3.468 N/A PHE 355.A N LEU 351.A O no hydrogen 3.141 N/A ALA 356.A N ASP 352.A O no hydrogen 2.804 N/A ASN 357.A N TRP 353.A O no hydrogen 2.805 N/A LEU 358.A N HIS 354.A O no hydrogen 3.079 N/A GLU 359.A N PHE 355.A O no hydrogen 2.780 N/A PHE 360.A N ALA 356.A O no hydrogen 2.749 N/A ALA 361.A N ASN 357.A O no hydrogen 3.006 N/A ASN 362.A N LEU 358.A O no hydrogen 3.091 N/A ASN 362.A ND2 LEU 358.A O no hydrogen 3.120 N/A ALA 363.A N PHE 360.A O no hydrogen 3.058 N/A THR 364.A N GLU 359.A O no hydrogen 3.036 N/A THR 364.A OG1 THR 368.A OG1 no hydrogen 2.645 N/A LEU 366.A N GLU 359.A OE2 no hydrogen 2.853 N/A THR 368.A N PRO 365.A O no hydrogen 2.966 N/A THR 368.A OG1 THR 364.A OG1 no hydrogen 2.645 N/A THR 368.A OG1 PRO 365.A O no hydrogen 2.650 N/A LEU 369.A N LEU 366.A O no hydrogen 3.195 N/A SER 370.A N VAL 586.A O no hydrogen 2.878 N/A LEU 371.A N VAL 235.A O no hydrogen 3.082 N/A HIS 373.A N SER 370.A OG no hydrogen 2.970 N/A TRP 374.A N SER 370.A O no hydrogen 2.999 N/A GLN 376.A N HIS 373.A O no hydrogen 3.022 N/A GLN 376.A NE2 ARG 620.A O no hydrogen 2.828 N/A ASP 377.A N ASP 377.A OD1 no hydrogen 2.591 N/A ASP 378.A N ASP 375.A O no hydrogen 3.134 N/A PHE 380.A N ASP 377.A O no hydrogen 3.097 N/A GLU 381.A N ASP 378.A O no hydrogen 3.174 N/A THR 383.A N GLY 167.A O no hydrogen 3.208 N/A SER 385.A OG HIS 386.A O no hydrogen 2.994 N/A LEU 387.A N VAL 163.A O no hydrogen 2.782 N/A THR 388.A N ALA 183.A O no hydrogen 3.007 N/A THR 388.A OG1 ALA 183.A O no hydrogen 3.449 N/A VAL 389.A N MET 161.A O no hydrogen 3.322 N/A ARG 390.A N GLU 181.A O no hydrogen 2.824 N/A GLY 392.A N VAL 389.A O no hydrogen 3.147 N/A TYR 393.A N ASP 157.A OD1 no hydrogen 3.324 N/A TYR 393.A N ASP 157.A OD2 no hydrogen 2.753 N/A SER 394.A N THR 148.A OG1 no hydrogen 2.835 N/A SER 394.A OG THR 148.A OG1 no hydrogen 3.068 N/A CYS 395.A N GLY 392.A O no hydrogen 3.215 N/A CYS 395.A SG GLY 392.A O no hydrogen 3.285 N/A VAL 396.A N TYR 393.A O no hydrogen 2.986 N/A VAL 398.A N SER 394.A O no hydrogen 3.017 N/A ALA 399.A N CYS 395.A O no hydrogen 3.094 N/A LEU 400.A N VAL 396.A O no hydrogen 2.943 N/A ALA 401.A N PRO 397.A O no hydrogen 2.894 N/A GLU 402.A N ALA 399.A O no hydrogen 3.243 N/A LEU 404.A N ALA 401.A O no hydrogen 3.048 N/A LYS 407.A N LEU 135.A O no hydrogen 2.850 N/A ASN 409.A N ARG 139.A O no hydrogen 2.821 N/A THR 410.A N GLU 137.A O no hydrogen 2.834 N/A THR 410.A OG1 LYS 407.A O no hydrogen 3.480 N/A THR 410.A OG1 LEU 408.A O no hydrogen 2.749 N/A ALA 411.A N VAL 427.A O no hydrogen 2.934 N/A ARG 413.A N ILE 425.A O no hydrogen 2.787 N/A GLN 414.A N ILE 425.A O no hydrogen 3.202 N/A GLN 414.A NE2 GLN 460.A OE1 no hydrogen 3.587 N/A VAL 415.A N GLN 460.A O no hydrogen 2.745 N/A ARG 416.A N GLU 423.A O no hydrogen 2.820 N/A ARG 416.A NH1 GLN 414.A OE1 no hydrogen 2.336 N/A TYR 417.A N VAL 462.A O no hydrogen 3.009 N/A TYR 417.A OH PRO 463.A O no hydrogen 2.825 N/A THR 418.A N GLY 421.A O no hydrogen 2.965 N/A THR 418.A OG1 SER 420.A OG no hydrogen 2.873 N/A THR 418.A OG1 GLY 421.A O no hydrogen 3.374 N/A SER 420.A N THR 418.A OG1 no hydrogen 3.309 N/A SER 420.A OG THR 418.A OG1 no hydrogen 2.873 N/A GLY 421.A N THR 418.A O no hydrogen 3.146 N/A CYS 422.A N CYS 440.A O no hydrogen 2.770 N/A CYS 422.A SG ASP 441.A O no hydrogen 3.765 N/A GLU 423.A N ARG 416.A O no hydrogen 2.850 N/A VAL 424.A N TYR 438.A O no hydrogen 2.767 N/A ILE 425.A N GLN 414.A O no hydrogen 2.821 N/A ALA 426.A N PHE 436.A O no hydrogen 3.027 N/A VAL 427.A N ALA 411.A O no hydrogen 2.969 N/A ASN 428.A N GLN 434.A O no hydrogen 3.194 N/A ASN 428.A ND2 GLN 434.A OE1 no hydrogen 2.901 N/A THR 429.A N ASN 409.A O no hydrogen 2.899 N/A ARG 430.A N ASN 428.A OD1 no hydrogen 3.242 N/A ARG 430.A NH1 ASP 140.A OD2 no hydrogen 3.450 N/A SER 431.A N ASN 428.A O no hydrogen 3.167 N/A SER 431.A OG SER 433.A OG no hydrogen 3.118 N/A SER 433.A OG SER 431.A OG no hydrogen 3.118 N/A GLN 434.A N SER 431.A O no hydrogen 2.898 N/A THR 435.A OG1 SER 433.A O no hydrogen 3.503 N/A PHE 436.A N ALA 426.A O no hydrogen 2.845 N/A TYR 438.A N VAL 424.A O no hydrogen 2.795 N/A CYS 440.A N CYS 422.A O no hydrogen 3.019 N/A CYS 440.A SG ALA 442.A O no hydrogen 3.459 N/A ASP 441.A N LYS 109.A O no hydrogen 2.807 N/A ALA 442.A N LYS 109.A O no hydrogen 3.332 N/A VAL 443.A N ARG 610.A O no hydrogen 2.944 N/A LEU 444.A N ILE 111.A O no hydrogen 2.889 N/A CYS 445.A N PHE 612.A O no hydrogen 2.713 N/A THR 446.A N ILE 113.A O no hydrogen 3.099 N/A THR 446.A OG1 ILE 113.A O no hydrogen 2.522 N/A THR 446.A OG1 GLY 114.A O no hydrogen 3.422 N/A LEU 452.A N PRO 448.A O no hydrogen 3.043 N/A LYS 453.A N LEU 449.A O no hydrogen 2.789 N/A LYS 453.A NZ VAL 473.A O no hydrogen 2.966 N/A LYS 453.A NZ GLN 474.A O no hydrogen 3.041 N/A LYS 453.A NZ MET 476.A O no hydrogen 2.916 N/A GLN 454.A N VAL 451.A O no hydrogen 3.180 N/A GLN 455.A NE2 LYS 453.A O no hydrogen 3.662 N/A GLN 460.A N ARG 413.A O no hydrogen 2.901 N/A VAL 462.A N VAL 415.A O no hydrogen 2.780 N/A LYS 469.A N PRO 466.A O no hydrogen 2.927 N/A LYS 469.A NZ LEU 597.A O no hydrogen 2.915 N/A LYS 469.A NZ MET 598.A O no hydrogen 2.787 N/A LYS 469.A NZ GLN 600.A O no hydrogen 2.648 N/A THR 470.A N PRO 466.A O no hydrogen 3.022 N/A THR 470.A OG1 GLU 467.A O no hydrogen 3.283 N/A SER 471.A N GLU 467.A O no hydrogen 2.886 N/A SER 471.A OG GLU 467.A O no hydrogen 2.910 N/A SER 471.A OG GLU 467.A OE2 no hydrogen 2.855 N/A VAL 473.A N LYS 469.A O no hydrogen 3.010 N/A GLN 474.A N THR 470.A O no hydrogen 2.794 N/A ARG 475.A N SER 471.A O no hydrogen 2.857 N/A ARG 475.A NE ASP 594.A OD1 no hydrogen 3.291 N/A ARG 475.A NE ASP 594.A OD2 no hydrogen 3.175 N/A ARG 475.A NH2 ASP 594.A OD1 no hydrogen 3.099 N/A MET 476.A N ALA 472.A O no hydrogen 3.040 N/A GLY 477.A N TYR 585.A O no hydrogen 3.102 N/A GLY 479.A N TYR 583.A O no hydrogen 2.944 N/A ASN 480.A N ALA 363.A O no hydrogen 2.756 N/A ASN 480.A ND2 GLU 538.A OE2 no hydrogen 3.099 N/A ASN 482.A N VAL 529.A O no hydrogen 3.153 N/A ASN 482.A ND2 ALA 534.A O no hydrogen 3.264 N/A ASN 482.A ND2 GLU 538.A OE2 no hydrogen 2.847 N/A LYS 483.A N SER 571.A OG no hydrogen 2.981 N/A LYS 483.A NZ ASP 157.A O no hydrogen 3.216 N/A LYS 483.A NZ GLY 159.A O no hydrogen 2.488 N/A VAL 484.A N ALA 527.A O no hydrogen 2.839 N/A VAL 485.A N VAL 569.A O no hydrogen 2.673 N/A LEU 486.A N LEU 525.A O no hydrogen 2.849 N/A CYS 487.A N GLU 567.A O no hydrogen 2.903 N/A PHE 488.A N PRO 523.A O no hydrogen 2.746 N/A SER 496.A N ASP 494.A OD1 no hydrogen 3.131 N/A SER 496.A OG ASP 494.A OD1 no hydrogen 2.972 N/A VAL 497.A N ASP 494.A O no hydrogen 3.202 N/A ASN 498.A ND2 ASN 518.A O no hydrogen 3.029 N/A PHE 500.A N PHE 516.A O no hydrogen 3.078 N/A GLY 501.A N PRO 190.A O no hydrogen 2.779 N/A HIS 502.A N PHE 514.A O no hydrogen 2.659 N/A VAL 503.A N TYR 192.A O no hydrogen 2.783 N/A THR 507.A OG1 ASP 352.A OD2 no hydrogen 2.633 N/A ARG 510.A N THR 507.A O no hydrogen 3.167 N/A ARG 510.A NE GLU 359.A OE1 no hydrogen 3.035 N/A ARG 510.A NH1 ASP 352.A OD1 no hydrogen 2.952 N/A ARG 510.A NH2 GLU 359.A OE2 no hydrogen 2.836 N/A GLU 512.A N SER 509.A O no hydrogen 3.032 N/A PHE 516.A N PHE 500.A O no hydrogen 2.808 N/A TRP 517.A N LEU 526.A O no hydrogen 2.636 N/A ASN 518.A N ASN 498.A O no hydrogen 2.726 N/A ASN 518.A ND2 ASP 494.A O no hydrogen 3.676 N/A ASN 518.A ND2 PRO 495.A O no hydrogen 3.334 N/A ASN 518.A ND2 VAL 497.A O no hydrogen 2.951 N/A LEU 525.A N LEU 486.A O no hydrogen 2.889 N/A LEU 526.A N TRP 517.A O no hydrogen 2.968 N/A ALA 527.A N VAL 484.A O no hydrogen 2.903 N/A LEU 528.A N LEU 515.A O no hydrogen 2.950 N/A VAL 529.A N ASN 482.A O no hydrogen 2.835 N/A ALA 530.A N GLY 511.A O no hydrogen 2.686 N/A ALA 534.A N GLY 531.A O no hydrogen 3.087 N/A MET 537.A N ALA 533.A O no hydrogen 2.807 N/A ASN 539.A N ILE 536.A O no hydrogen 3.122 N/A ILE 540.A N MET 537.A O no hydrogen 2.845 N/A ILE 545.A N SER 541.A O no hydrogen 3.067 N/A VAL 546.A N ASP 542.A O no hydrogen 2.763 N/A GLY 547.A N ASP 543.A O no hydrogen 2.909 N/A ARG 548.A N VAL 544.A O no hydrogen 3.033 N/A ARG 548.A NE GLU 512.A OE2 no hydrogen 2.661 N/A ARG 548.A NH2 GLU 512.A OE1 no hydrogen 3.507 N/A ARG 548.A NH2 GLU 512.A OE2 no hydrogen 3.101 N/A CYS 549.A N ILE 545.A O no hydrogen 3.017 N/A CYS 549.A SG ILE 545.A O no hydrogen 3.821 N/A LEU 550.A N VAL 546.A O no hydrogen 2.887 N/A ALA 551.A N GLY 547.A O no hydrogen 3.022 N/A ILE 552.A N ARG 548.A O no hydrogen 3.093 N/A LEU 553.A N CYS 549.A O no hydrogen 2.859 N/A LYS 554.A N LEU 550.A O no hydrogen 2.637 N/A GLY 555.A N ALA 551.A O no hydrogen 2.933 N/A ILE 556.A N ILE 552.A O no hydrogen 3.116 N/A ILE 556.A N LEU 553.A O no hydrogen 3.164 N/A PHE 557.A N LEU 553.A O no hydrogen 2.906 N/A GLY 558.A N LYS 554.A O no hydrogen 2.847 N/A ALA 561.A N GLY 558.A O no hydrogen 3.167 N/A LYS 566.A N CYS 487.A O no hydrogen 2.666 N/A GLU 567.A N CYS 487.A O no hydrogen 3.373 N/A VAL 569.A N VAL 485.A O no hydrogen 3.165 N/A SER 571.A N LYS 483.A O no hydrogen 3.070 N/A SER 571.A OG ASN 482.A OD1 no hydrogen 2.645 N/A ARG 572.A NE GLU 538.A O no hydrogen 2.968 N/A ARG 572.A NH1 ASP 542.A OD1 no hydrogen 2.938 N/A ARG 572.A NH2 ILE 540.A O no hydrogen 2.796 N/A ARG 572.A NH2 ASP 542.A OD1 no hydrogen 2.714 N/A TRP 573.A N ASN 482.A OD1 no hydrogen 2.902 N/A TRP 573.A NE1 LEU 158.A O no hydrogen 3.035 N/A ARG 574.A N GLU 538.A OE2 no hydrogen 2.806 N/A ARG 574.A NH1 PHE 478.A O no hydrogen 2.952 N/A ARG 574.A NH1 ARG 580.A O.A no hydrogen 2.845 N/A ARG 574.A NH1 ARG 580.A O.B no hydrogen 2.889 N/A ARG 574.A NH2 PHE 478.A O no hydrogen 2.913 N/A ALA 575.A N GLU 538.A OE1 no hydrogen 2.901 N/A ASP 576.A N ARG 572.A O no hydrogen 3.119 N/A ASP 576.A N TRP 573.A O no hydrogen 3.220 N/A TRP 578.A N ASP 576.A OD1 no hydrogen 2.818 N/A ALA 579.A N ASP 576.A O no hydrogen 3.028 N/A ARG 580.A N.A ASP 576.A O no hydrogen 2.759 N/A ARG 580.A N.B ASP 576.A O no hydrogen 2.754 N/A ARG 580.A NH2.B GLY 450.A O no hydrogen 3.167 N/A GLY 581.A N TRP 573.A O no hydrogen 3.012 N/A SER 582.A N GLY 479.A O no hydrogen 2.884 N/A TYR 583.A OH PHE 360.A O no hydrogen 2.864 N/A SER 584.A N GLU 616.A OE2 no hydrogen 2.918 N/A SER 584.A OG GLU 616.A OE1 no hydrogen 2.643 N/A TYR 585.A N GLY 477.A O no hydrogen 3.049 N/A ALA 588.A N THR 368.A O no hydrogen 2.868 N/A SER 590.A N ALA 587.A O no hydrogen 2.722 N/A SER 590.A OG ASP 594.A OD2 no hydrogen 2.602 N/A ASN 593.A N SER 591.A OG no hydrogen 3.259 N/A ASP 594.A N SER 591.A O no hydrogen 2.906 N/A TYR 595.A N GLY 592.A O no hydrogen 2.851 N/A LEU 597.A N ASN 593.A O no hydrogen 3.035 N/A MET 598.A N ASP 594.A O no hydrogen 2.916 N/A ALA 599.A N TYR 595.A O no hydrogen 3.207 N/A GLN 600.A N LEU 597.A O no hydrogen 3.135 N/A ILE 602.A N LEU 611.A O no hydrogen 2.857 N/A ARG 610.A N ILE 602.A O no hydrogen 3.045 N/A ARG 610.A NH1 ASP 441.A O no hydrogen 2.728 N/A ARG 610.A NH2 ALA 419.A O no hydrogen 3.030 N/A LEU 611.A N ILE 602.A O no hydrogen 3.470 N/A PHE 612.A N VAL 443.A O no hydrogen 2.794 N/A ALA 614.A N CYS 445.A O no hydrogen 3.027 N/A GLY 615.A N SER 632.A OG no hydrogen 2.790 N/A THR 618.A N GLY 615.A O no hydrogen 2.872 N/A THR 618.A OG1 GLY 615.A O no hydrogen 2.758 N/A ARG 620.A NH2 ASP 596.A OD2 no hydrogen 2.848 N/A TYR 622.A N ILE 619.A O no hydrogen 3.168 N/A THR 625.A OG1 TYR 622.A O no hydrogen 2.854 N/A GLY 628.A N THR 625.A OG1 no hydrogen 2.946 N/A ALA 629.A N THR 625.A O no hydrogen 3.087 N/A LEU 630.A N VAL 626.A O no hydrogen 2.848 N/A LEU 631.A N HIS 627.A O no hydrogen 2.776 N/A SER 632.A N GLY 628.A O no hydrogen 2.816 N/A SER 632.A OG ALA 629.A O no hydrogen 2.832 N/A GLY 633.A N ALA 629.A O no hydrogen 2.986 N/A LEU 634.A N LEU 630.A O no hydrogen 3.074 N/A ARG 635.A N LEU 631.A O no hydrogen 2.903 N/A ARG 635.A NE GLU 636.A OE2 no hydrogen 2.562 N/A ARG 635.A NH1 THR 618.A O no hydrogen 2.971 N/A ARG 635.A NH2 PHE 613.A O no hydrogen 3.215 N/A ARG 635.A NH2 THR 618.A OG1 no hydrogen 2.873 N/A ARG 635.A NH2 GLU 636.A OE2 no hydrogen 3.054 N/A GLU 636.A N SER 632.A O no hydrogen 2.990 N/A ALA 637.A N GLY 633.A O no hydrogen 2.988 N/A GLY 638.A N LEU 634.A O no hydrogen 3.092 N/A ARG 639.A N ARG 635.A O no hydrogen 3.041 N/A ARG 639.A NE GLU 636.A OE1 no hydrogen 2.922 N/A ARG 639.A NE GLU 636.A OE2 no hydrogen 3.413 N/A ARG 639.A NH2 GLU 636.A OE2 no hydrogen 2.916 N/A ILE 640.A N GLU 636.A O no hydrogen 2.812 N/A ALA 641.A N ALA 637.A O no hydrogen 2.947 N/A ASP 642.A N GLY 638.A O no hydrogen 2.870 N/A GLN 643.A N ARG 639.A O no hydrogen 3.018 N/A PHE 644.A N ILE 640.A O no hydrogen 2.873 N/A LEU 645.A N ALA 641.A O no hydrogen 2.683 N/A GLY 646.A N ALA 641.A O no hydrogen 3.216 N/A GLY 646.A N ASP 642.A O no hydrogen 3.117 N/A