Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7brs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG ILE 1.A O no hydrogen 2.433 N/A LEU 5.A N GLU 69.A OE2 no hydrogen 2.226 N/A ALA 6.A N GLU 69.A OE2 no hydrogen 3.181 N/A VAL 8.A N SER 4.A O no hydrogen 3.148 N/A LEU 9.A N LEU 5.A O no hydrogen 2.860 N/A GLN 10.A N ALA 6.A O no hydrogen 3.127 N/A ARG 11.A N VAL 8.A O no hydrogen 3.152 N/A ARG 11.A NE ASP 13.A OD1 no hydrogen 3.193 N/A ARG 11.A NE ASP 13.A OD2 no hydrogen 2.802 N/A ARG 11.A NH2 ASP 13.A OD1 no hydrogen 3.161 N/A ARG 12.A N LEU 9.A O no hydrogen 2.891 N/A ARG 12.A NE GLU 15.A OE1 no hydrogen 2.777 N/A ARG 12.A NH1 GLU 65.A OE2 no hydrogen 3.054 N/A ARG 12.A NH2 GLU 65.A OE2 no hydrogen 3.314 N/A GLU 15.A N ARG 12.A O no hydrogen 3.009 N/A ASN 16.A N ASP 191.A OD2 no hydrogen 2.922 N/A GLY 18.A N ASN 16.A OD1 no hydrogen 2.958 N/A VAL 19.A N ASN 16.A O no hydrogen 3.072 N/A LEU 22.A N TYR 159.A O no hydrogen 3.041 N/A ARG 24.A N GLN 21.A OE1 no hydrogen 2.974 N/A ARG 24.A NH1 GLN 161.A O no hydrogen 2.970 N/A ARG 24.A NH1 SER 167.A OG no hydrogen 3.140 N/A LEU 25.A N GLU 168.A O no hydrogen 2.811 N/A HIS 28.A ND1 PRO 29.A O no hydrogen 2.557 N/A HIS 28.A NE2 GLU 168.A OE1 no hydrogen 2.710 N/A ALA 32.A N GLU 324.A OE1 no hydrogen 2.815 N/A ALA 32.A N GLU 324.A OE2 no hydrogen 3.324 N/A SER 33.A N GLU 324.A OE2 no hydrogen 2.752 N/A SER 33.A OG HIS 214.A O no hydrogen 2.973 N/A ARG 35.A NH1 SER 33.A O no hydrogen 3.331 N/A ARG 35.A NH1 HIS 214.A O no hydrogen 3.261 N/A ARG 35.A NH2 HIS 214.A ND1 no hydrogen 3.331 N/A ALA 40.A N ASN 36.A O no hydrogen 3.301 N/A ARG 41.A N SER 37.A O no hydrogen 2.999 N/A THR 42.A N GLU 38.A O no hydrogen 3.046 N/A THR 42.A OG1 GLU 38.A O no hydrogen 2.260 N/A THR 42.A OG1 GLU 39.A O no hydrogen 2.836 N/A ASP 43.A N ALA 40.A O no hydrogen 3.274 N/A ARG 44.A N GLU 39.A O no hydrogen 3.122 N/A SER 46.A OG ALA 32.A O no hydrogen 2.747 N/A SER 46.A OG GLN 48.A OE1 no hydrogen 3.129 N/A GLN 48.A N SER 46.A OG no hydrogen 3.096 N/A LEU 49.A N SER 46.A O no hydrogen 3.177 N/A ARG 50.A N LEU 212.A O no hydrogen 2.793 N/A ARG 50.A NH1 ASN 126.A O.A no hydrogen 2.395 N/A ARG 50.A NH1 ASN 126.A O.B no hydrogen 2.382 N/A LEU 52.A N VAL 210.A O no hydrogen 2.934 N/A ASN 53.A N SER 51.A OG no hydrogen 3.187 N/A GLY 54.A N VAL 84.A O no hydrogen 2.836 N/A TRP 56.A N VAL 82.A O no hydrogen 2.662 N/A TRP 56.A NE1 LEU 52.A O no hydrogen 2.730 N/A ARG 57.A N SER 122.A O no hydrogen 2.831 N/A ARG 57.A NE THR 81.A OG1 no hydrogen 3.083 N/A ARG 57.A NH1 ASP 75.A OD2 no hydrogen 2.430 N/A ARG 57.A NH2 THR 81.A OG1 no hydrogen 3.166 N/A PHE 58.A N ASP 80.A O no hydrogen 2.807 N/A ALA 59.A N CYS 120.A O no hydrogen 3.304 N/A TRP 60.A NE1 ASP 94.A OD2 no hydrogen 2.733 N/A PHE 61.A N THR 118.A O no hydrogen 2.744 N/A GLU 65.A N GLU 65.A OE1 no hydrogen 2.495 N/A ALA 66.A N ALA 63.A O no hydrogen 2.850 N/A VAL 67.A N PRO 64.A O no hydrogen 3.092 N/A TRP 71.A N PRO 68.A O no hydrogen 3.212 N/A LEU 72.A N GLU 69.A O no hydrogen 3.144 N/A GLU 73.A N SER 70.A O no hydrogen 2.813 N/A CYS 74.A N SER 70.A O no hydrogen 2.895 N/A ALA 79.A N LEU 76.A O no hydrogen 2.957 N/A ASP 80.A N PHE 58.A O no hydrogen 2.922 N/A VAL 82.A N TRP 56.A O no hydrogen 2.730 N/A VAL 84.A N GLY 54.A O no hydrogen 2.560 N/A SER 86.A N ILE 206.A O no hydrogen 2.808 N/A SER 86.A OG VAL 83.A O no hydrogen 2.346 N/A SER 86.A OG PRO 85.A O no hydrogen 2.968 N/A SER 86.A OG HIS 91.A NE2 no hydrogen 2.753 N/A ASN 87.A ND2 SER 204.A O no hydrogen 2.955 N/A TRP 88.A N SER 204.A O no hydrogen 3.270 N/A TRP 88.A NE1 ASP 94.A OD2 no hydrogen 2.883 N/A GLN 89.A NE2 SER 204.A O no hydrogen 3.261 N/A MET 90.A N ASN 87.A O no hydrogen 2.946 N/A HIS 91.A N TRP 88.A O no hydrogen 3.246 N/A GLY 92.A N GLN 89.A O no hydrogen 2.858 N/A TYR 93.A N TRP 88.A O no hydrogen 3.182 N/A TYR 93.A OH ASP 80.A OD2 no hydrogen 2.450 N/A TYR 98.A N ASP 592.A OD2 no hydrogen 3.316 N/A TYR 98.A OH ASP 199.A OD1 no hydrogen 2.613 N/A THR 99.A OG1 THR 102.A O no hydrogen 2.445 N/A THR 99.A OG1 ASP 596.A OD2 no hydrogen 3.530 N/A ASN 100.A N ASP 596.A OD2 no hydrogen 2.691 N/A TYR 103.A OH TYR 194.A O no hydrogen 2.457 N/A ASN 108.A N TYR 194.A OH no hydrogen 3.046 N/A PHE 111.A N ASN 108.A O no hydrogen 2.767 N/A VAL 112.A N GLU 15.A OE2 no hydrogen 2.715 N/A ASN 116.A ND2 TRP 189.A O no hydrogen 2.919 N/A THR 118.A N PHE 61.A O no hydrogen 2.665 N/A THR 118.A OG1 ASN 116.A O no hydrogen 2.960 N/A GLY 119.A N VAL 186.A O no hydrogen 2.786 N/A CYS 120.A N ALA 59.A O no hydrogen 2.875 N/A TYR 121.A N VAL 184.A O no hydrogen 2.903 N/A SER 122.A N ARG 57.A O no hydrogen 2.703 N/A SER 122.A OG ARG 57.A O no hydrogen 3.213 N/A LEU 123.A N LEU 182.A O no hydrogen 3.166 N/A PHE 125.A N ASN 180.A O no hydrogen 2.772 N/A VAL 127.A N GLY 178.A O no hydrogen 3.384 N/A TRP 131.A N ASP 128.A O no hydrogen 2.931 N/A LEU 132.A N GLU 129.A O no hydrogen 3.103 N/A GLN 136.A N LYS 215.A O no hydrogen 2.627 N/A GLN 136.A NE2 ASP 170.A OD2 no hydrogen 3.486 N/A THR 137.A N SER 172.A OG no hydrogen 3.135 N/A THR 137.A OG1 TRP 131.A O no hydrogen 3.291 N/A ARG 138.A N LEU 213.A O no hydrogen 2.917 N/A ARG 138.A NH1 GLU 168.A OE1 no hydrogen 2.895 N/A ARG 138.A NH2 GLN 136.A OE1 no hydrogen 2.574 N/A ARG 138.A NH2 GLN 219.A OE1 no hydrogen 3.564 N/A ILE 139.A N PHE 169.A O no hydrogen 2.970 N/A ILE 140.A N SER 211.A O no hydrogen 2.677 N/A PHE 141.A N SER 167.A O no hydrogen 2.906 N/A ASP 142.A N ASP 209.A O no hydrogen 2.895 N/A ASN 145.A N GLY 205.A O no hydrogen 2.885 N/A SER 146.A N LEU 187.A O no hydrogen 2.964 N/A SER 146.A OG LEU 187.A O no hydrogen 3.216 N/A SER 146.A OG ARG 188.A O no hydrogen 2.796 N/A SER 146.A OG SER 190.A OG no hydrogen 3.052 N/A PHE 148.A N GLY 160.A O no hydrogen 3.106 N/A HIS 149.A N MET 185.A O no hydrogen 3.138 N/A LEU 150.A N GLY 158.A O no hydrogen 2.910 N/A TRP 151.A N ALA 183.A O no hydrogen 2.656 N/A TRP 151.A NE1 ASP 3.A O no hydrogen 2.788 N/A CYS 152.A N ARG 155.A O no hydrogen 2.930 N/A CYS 152.A SG PHE 174.A O no hydrogen 3.897 N/A ASN 153.A N ARG 181.A O no hydrogen 2.718 N/A ASN 153.A ND2 PHE 174.A O no hydrogen 2.586 N/A ASN 153.A ND2 ASN 180.A OD1 no hydrogen 2.843 N/A ARG 155.A N CYS 152.A O no hydrogen 3.273 N/A ARG 155.A NH1 ALA 173.A O no hydrogen 2.807 N/A TRP 156.A NE1 HIS 149.A ND1 no hydrogen 3.068 N/A VAL 157.A N LEU 150.A O no hydrogen 2.755 N/A GLY 158.A N LEU 150.A O no hydrogen 3.453 N/A TYR 159.A N LEU 22.A O no hydrogen 3.139 N/A TYR 159.A OH GLN 161.A OE1 no hydrogen 2.479 N/A GLY 160.A N PHE 148.A O no hydrogen 2.981 N/A GLN 161.A NE2 ASP 191.A OD1 no hydrogen 2.900 N/A SER 163.A OG GLU 196.A OE1 no hydrogen 3.168 N/A ARG 164.A N ASP 162.A OD1 no hydrogen 3.367 N/A ARG 164.A NH1 GLN 363.A OE1 no hydrogen 3.333 N/A SER 167.A N PHE 141.A O no hydrogen 2.848 N/A PHE 169.A N ILE 139.A O no hydrogen 3.074 N/A LEU 171.A N THR 137.A O no hydrogen 2.738 N/A SER 172.A N ASP 170.A OD1 no hydrogen 2.895 N/A SER 172.A OG ASP 170.A OD1 no hydrogen 2.323 N/A PHE 174.A N LEU 171.A O no hydrogen 2.694 N/A ARG 176.A N ASN 180.A OD1 no hydrogen 2.428 N/A ASN 180.A N PHE 125.A O no hydrogen 2.678 N/A ASN 180.A ND2 ARG 176.A O no hydrogen 2.919 N/A ARG 181.A N ASN 153.A OD1 no hydrogen 2.974 N/A ARG 181.A NH1 TRP 71.A O no hydrogen 2.706 N/A ARG 181.A NH2 TRP 71.A O no hydrogen 3.104 N/A LEU 182.A N LEU 123.A O no hydrogen 2.819 N/A ALA 183.A N TRP 151.A O no hydrogen 2.929 N/A VAL 184.A N TYR 121.A O no hydrogen 2.862 N/A MET 185.A N HIS 149.A O no hydrogen 2.956 N/A VAL 186.A N GLY 119.A O no hydrogen 2.680 N/A LEU 187.A N ALA 147.A O no hydrogen 2.778 N/A ARG 188.A N PRO 117.A O no hydrogen 3.016 N/A ARG 188.A NH1 ALA 95.A O no hydrogen 3.203 N/A ARG 188.A NH2 ALA 95.A O no hydrogen 2.905 N/A ARG 188.A NH2 ARG 202.A O no hydrogen 2.683 N/A TRP 189.A N ASN 116.A OD1 no hydrogen 2.769 N/A SER 190.A N SER 193.A OG no hydrogen 2.735 N/A SER 190.A OG SER 146.A OG no hydrogen 3.052 N/A ASP 191.A N TRP 14.A O no hydrogen 2.636 N/A SER 193.A N SER 190.A O no hydrogen 2.886 N/A SER 193.A OG SER 190.A O no hydrogen 2.888 N/A TYR 194.A N ASP 191.A O no hydrogen 3.267 N/A TYR 194.A OH THR 106.A O no hydrogen 3.223 N/A TYR 194.A OH PHE 111.A O no hydrogen 2.425 N/A LEU 195.A N GLY 192.A O no hydrogen 3.177 N/A GLU 196.A N SER 193.A O no hydrogen 3.013 N/A ASP 197.A N GLU 414.A O no hydrogen 2.963 N/A GLN 198.A N GLN 198.A OE1 no hydrogen 2.850 N/A GLN 198.A NE2 HIS 389.A O no hydrogen 3.049 N/A GLN 198.A NE2 ASN 412.A OD1 no hydrogen 2.758 N/A TRP 201.A NE1 GLN 571.A O no hydrogen 2.666 N/A ARG 202.A N ILE 97.A O no hydrogen 2.581 N/A ARG 202.A NE THR 99.A O no hydrogen 3.432 N/A ARG 202.A NE MET 200.A O no hydrogen 3.190 N/A ARG 202.A NH1 ASP 197.A OD1 no hydrogen 2.823 N/A ARG 202.A NH2 THR 99.A O no hydrogen 3.076 N/A ARG 202.A NH2 ASP 197.A OD1 no hydrogen 2.838 N/A SER 204.A OG GLN 89.A OE1 no hydrogen 2.489 N/A GLY 205.A N ASN 145.A O no hydrogen 2.757 N/A ILE 206.A N TYR 121.A OH no hydrogen 3.397 N/A PHE 207.A N GLY 143.A O no hydrogen 2.921 N/A ARG 208.A N GLY 143.A O no hydrogen 3.310 N/A ARG 208.A NH1 ARG 164.A O no hydrogen 2.865 N/A ARG 208.A NH1 PRO 391.A O no hydrogen 3.470 N/A ARG 208.A NH2 GLU 356.A OE1 no hydrogen 2.548 N/A ARG 208.A NH2 GLU 356.A OE2 no hydrogen 3.506 N/A ARG 208.A NH2 PRO 391.A O no hydrogen 2.889 N/A VAL 210.A N ASN 53.A OD1 no hydrogen 2.966 N/A SER 211.A N ILE 140.A O no hydrogen 2.918 N/A LEU 212.A N ARG 50.A O no hydrogen 2.956 N/A LEU 213.A N ARG 138.A O no hydrogen 2.823 N/A HIS 214.A N GLN 48.A O no hydrogen 2.735 N/A HIS 214.A NE2 GLU 134.A O no hydrogen 2.650 N/A LYS 215.A N GLN 136.A O no hydrogen 2.816 N/A LYS 215.A NZ ILE 220.A O no hydrogen 2.741 N/A LYS 215.A NZ GLU 322.A OE1 no hydrogen 2.513 N/A LYS 215.A NZ GLU 322.A OE2 no hydrogen 3.174 N/A GLN 219.A N CYS 245.A O no hydrogen 2.932 N/A GLN 219.A NE2 GLN 136.A OE1 no hydrogen 2.812 N/A GLN 219.A NE2 PRO 216.A O no hydrogen 3.041 N/A ILE 220.A N GLU 322.A OE2 no hydrogen 3.264 N/A SER 221.A N GLN 243.A O no hydrogen 2.935 N/A HIS 224.A N GLU 241.A O no hydrogen 2.933 N/A VAL 225.A N ASN 447.A OD1 no hydrogen 3.095 N/A ALA 226.A N GLU 239.A O no hydrogen 2.816 N/A THR 227.A OG1 ARG 331.A O no hydrogen 3.507 N/A ARG 228.A N VAL 237.A O no hydrogen 2.935 N/A ASN 230.A N ARG 235.A O no hydrogen 3.143 N/A ASN 230.A ND2 SER 234.A OG no hydrogen 3.048 N/A PHE 233.A N ASN 230.A O no hydrogen 3.288 N/A SER 234.A N ASP 232.A OD1 no hydrogen 3.129 N/A SER 234.A OG ASP 232.A OD1 no hydrogen 2.795 N/A ARG 235.A N ASN 230.A OD1 no hydrogen 2.997 N/A ARG 235.A NE GLU 294.A OE2 no hydrogen 2.932 N/A ARG 235.A NH2 GLU 294.A OE2 no hydrogen 2.751 N/A ALA 236.A N VAL 293.A O no hydrogen 2.904 N/A VAL 237.A N ARG 228.A O no hydrogen 2.807 N/A LEU 238.A N LEU 291.A O no hydrogen 2.800 N/A GLU 239.A N ALA 226.A O no hydrogen 2.858 N/A ALA 240.A N LEU 289.A O no hydrogen 2.828 N/A GLU 241.A N HIS 224.A O no hydrogen 2.979 N/A VAL 242.A N VAL 287.A O no hydrogen 2.943 N/A GLN 243.A N ASP 222.A O no hydrogen 2.924 N/A GLN 243.A NE2 GLU 241.A OE2 no hydrogen 2.917 N/A MET 244.A N ASP 285.A O no hydrogen 3.058 N/A CYS 245.A N GLN 219.A O no hydrogen 2.964 N/A LEU 252.A N ARG 249.A O no hydrogen 2.998 N/A ARG 253.A N HIS 314.A O no hydrogen 2.713 N/A ARG 253.A NH1 ASP 250.A O no hydrogen 2.869 N/A ARG 253.A NH1 LEU 252.A O no hydrogen 3.104 N/A VAL 254.A N ALA 270.A O no hydrogen 2.880 N/A THR 255.A N GLU 312.A O no hydrogen 2.872 N/A THR 255.A OG1 THR 269.A OG1 no hydrogen 2.582 N/A THR 255.A OG1 HIS 314.A NE2 no hydrogen 2.625 N/A VAL 256.A N GLY 268.A O no hydrogen 3.037 N/A SER 257.A N VAL 310.A O no hydrogen 2.753 N/A LEU 258.A N ALA 266.A O no hydrogen 3.073 N/A TRP 259.A N ARG 308.A O no hydrogen 2.857 N/A GLN 260.A N THR 263.A O no hydrogen 2.933 N/A THR 263.A N GLN 260.A O no hydrogen 3.426 N/A VAL 265.A N LEU 258.A O no hydrogen 2.748 N/A ALA 266.A N LEU 258.A O no hydrogen 3.415 N/A GLY 268.A N VAL 256.A O no hydrogen 3.234 N/A THR 269.A OG1 THR 255.A OG1 no hydrogen 2.582 N/A ALA 270.A N VAL 254.A O no hydrogen 3.040 N/A GLY 273.A N ARG 286.A O no hydrogen 2.611 N/A GLY 274.A N TYR 283.A O no hydrogen 2.969 N/A ILE 277.A N GLY 281.A O no hydrogen 2.908 N/A ASP 278.A N GLY 281.A O no hydrogen 3.254 N/A ARG 280.A N ASP 278.A OD1 no hydrogen 3.067 N/A GLY 281.A N ASP 278.A O no hydrogen 2.969 N/A ASP 285.A N ASP 285.A OD1 no hydrogen 2.440 N/A ARG 286.A N TYR 283.A O no hydrogen 3.389 N/A VAL 287.A N VAL 242.A O no hydrogen 3.111 N/A LEU 289.A N ALA 240.A O no hydrogen 2.857 N/A LEU 291.A N LEU 238.A O no hydrogen 2.915 N/A VAL 293.A N ALA 236.A O no hydrogen 2.830 N/A ASN 295.A N SER 234.A O no hydrogen 2.538 N/A LYS 297.A N TYR 307.A OH no hydrogen 2.712 N/A TRP 299.A N PHE 330.A O no hydrogen 2.641 N/A TRP 299.A NE1 ASP 401.A O no hydrogen 2.915 N/A SER 300.A N ILE 303.A O no hydrogen 2.875 N/A SER 300.A OG TYR 406.A OH no hydrogen 3.343 N/A ALA 301.A N TYR 406.A OH no hydrogen 3.146 N/A GLU 302.A N SER 300.A OG no hydrogen 2.618 N/A ASN 305.A N ILE 303.A O no hydrogen 2.895 N/A TYR 307.A N VAL 328.A O no hydrogen 2.776 N/A ARG 308.A N TRP 259.A O no hydrogen 2.894 N/A ARG 308.A NE ASP 327.A OD1 no hydrogen 3.008 N/A ARG 308.A NH1 ALA 40.A O no hydrogen 2.754 N/A ARG 308.A NH1 ASP 43.A OD1 no hydrogen 3.109 N/A ARG 308.A NH2 ASP 327.A OD1 no hydrogen 2.660 N/A ALA 309.A N CYS 326.A O no hydrogen 2.816 N/A VAL 310.A N SER 257.A O no hydrogen 2.730 N/A VAL 311.A N GLU 324.A O no hydrogen 2.675 N/A GLU 312.A N THR 255.A O no hydrogen 2.695 N/A LEU 313.A N GLU 322.A O no hydrogen 2.809 N/A HIS 314.A N ARG 253.A O no hydrogen 2.949 N/A HIS 314.A ND1 THR 315.A O no hydrogen 2.913 N/A HIS 314.A NE2 THR 255.A OG1 no hydrogen 2.625 N/A THR 315.A N THR 319.A O no hydrogen 2.991 N/A THR 315.A OG1 ASP 317.A OD1 no hydrogen 2.862 N/A ALA 316.A N TYR 251.A O no hydrogen 2.787 N/A GLY 318.A N THR 315.A O no hydrogen 2.943 N/A THR 319.A N THR 315.A OG1 no hydrogen 3.003 N/A THR 319.A OG1 THR 315.A OG1 no hydrogen 3.426 N/A THR 319.A OG1 ASP 317.A OD2 no hydrogen 3.009 N/A ILE 321.A N LEU 313.A O no hydrogen 2.719 N/A GLU 322.A N LEU 313.A O no hydrogen 3.182 N/A ALA 323.A N TRP 34.A O no hydrogen 2.822 N/A GLU 324.A N VAL 311.A O no hydrogen 2.915 N/A CYS 326.A N ALA 309.A O no hydrogen 2.981 N/A CYS 326.A SG ASP 327.A O no hydrogen 3.228 N/A VAL 328.A N TYR 307.A O no hydrogen 2.660 N/A ARG 331.A NE PRO 449.A O no hydrogen 2.607 N/A ARG 331.A NH1 ARG 331.A O no hydrogen 3.254 N/A GLU 332.A N ASN 343.A OD1 no hydrogen 2.762 N/A ARG 334.A N LEU 341.A O no hydrogen 3.077 N/A ARG 334.A NE GLU 332.A OE1 no hydrogen 3.267 N/A ARG 334.A NH2 GLU 332.A OE2 no hydrogen 3.441 N/A GLU 336.A N LEU 339.A O no hydrogen 2.999 N/A LEU 339.A N GLU 336.A O no hydrogen 3.068 N/A LEU 340.A N GLN 561.A OE1 no hydrogen 2.387 N/A LEU 341.A N ARG 334.A O no hydrogen 2.670 N/A LEU 342.A N LYS 345.A O no hydrogen 2.885 N/A ASN 343.A N GLU 332.A O no hydrogen 2.803 N/A ASN 343.A ND2 TRP 299.A O no hydrogen 3.319 N/A LYS 345.A N LEU 342.A O no hydrogen 3.087 N/A LEU 347.A N LEU 340.A O no hydrogen 3.050 N/A ILE 349.A N GLN 561.A O no hydrogen 2.884 N/A ARG 350.A N ASN 383.A OD1 no hydrogen 2.416 N/A ARG 350.A NE GLN 622.A O no hydrogen 2.558 N/A ARG 350.A NH1 LEU 348.A O no hydrogen 3.314 N/A ARG 350.A NH2 GLN 623.A O no hydrogen 3.322 N/A GLY 351.A N GLY 563.A O no hydrogen 2.986 N/A VAL 352.A N ALA 384.A O no hydrogen 3.003 N/A ASN 353.A N VAL 565.A O no hydrogen 2.793 N/A ASN 353.A ND2 CYS 534.A O no hydrogen 3.128 N/A ASN 353.A ND2 VAL 565.A O no hydrogen 3.101 N/A ARG 354.A N ARG 386.A O no hydrogen 3.128 N/A ARG 354.A NE ASP 373.A OD2 no hydrogen 3.216 N/A ARG 354.A NH2 ASP 373.A OD2 no hydrogen 3.425 N/A HIS 355.A ND1 TYR 390.A OH no hydrogen 2.955 N/A GLU 356.A N TYR 390.A OH no hydrogen 3.002 N/A HIS 357.A NE2 SER 572.A O no hydrogen 2.583 N/A HIS 358.A N GLY 362.A O no hydrogen 2.671 N/A LEU 360.A N HIS 358.A ND1 no hydrogen 3.006 N/A HIS 361.A N HIS 358.A ND1 no hydrogen 3.074 N/A GLY 362.A N HIS 358.A O no hydrogen 2.827 N/A GLN 363.A N ASN 87.A OD1 no hydrogen 2.974 N/A GLN 363.A NE2 TRP 201.A O no hydrogen 2.809 N/A VAL 364.A N HIS 361.A O no hydrogen 3.289 N/A THR 369.A N ASP 366.A OD1 no hydrogen 2.801 N/A THR 369.A OG1 ASP 366.A OD1 no hydrogen 3.243 N/A THR 369.A OG1 ASP 366.A OD2 no hydrogen 3.448 N/A VAL 371.A N GLU 367.A O no hydrogen 2.934 N/A GLN 372.A N GLN 368.A O no hydrogen 2.866 N/A ASP 373.A N THR 369.A O no hydrogen 2.919 N/A ILE 374.A N MET 370.A O no hydrogen 2.964 N/A LEU 375.A N VAL 371.A O no hydrogen 2.871 N/A LEU 376.A N GLN 372.A O no hydrogen 2.980 N/A MET 377.A N ASP 373.A O no hydrogen 2.923 N/A LYS 378.A N ILE 374.A O no hydrogen 3.015 N/A LYS 378.A NZ ALA 301.A O no hydrogen 3.262 N/A LYS 378.A NZ GLY 404.A O no hydrogen 2.493 N/A GLN 379.A N LEU 375.A O no hydrogen 2.877 N/A GLN 379.A NE2 TRP 706.A O no hydrogen 2.351 N/A ASN 380.A N MET 377.A O no hydrogen 2.926 N/A ASN 380.A ND2 LEU 376.A O no hydrogen 2.542 N/A ASN 381.A N LYS 378.A O no hydrogen 3.387 N/A ASN 381.A ND2 LYS 619.A O no hydrogen 2.681 N/A ASN 381.A ND2 SER 713.A O no hydrogen 3.054 N/A PHE 382.A N MET 377.A O no hydrogen 3.108 N/A ASN 383.A N ARG 350.A O no hydrogen 2.735 N/A ASN 383.A ND2 LEU 348.A O no hydrogen 2.867 N/A ALA 384.A N ARG 350.A O no hydrogen 3.193 N/A VAL 385.A N TYR 406.A O no hydrogen 2.765 N/A ARG 386.A N VAL 352.A O no hydrogen 3.004 N/A ARG 386.A NE GLU 410.A OE2 no hydrogen 2.953 N/A ARG 386.A NH1 ASN 353.A OD1 no hydrogen 2.674 N/A ARG 386.A NH1 GLN 535.A OE1 no hydrogen 3.238 N/A ARG 386.A NH2 GLU 410.A OE2 no hydrogen 2.811 N/A ARG 386.A NH2 ASN 458.A OD1 no hydrogen 3.133 N/A CYS 387.A N VAL 408.A O no hydrogen 3.017 N/A CYS 387.A SG VAL 408.A O no hydrogen 3.722 N/A SER 388.A N ARG 386.A O no hydrogen 2.756 N/A HIS 389.A ND1 GLU 410.A OE1 no hydrogen 2.569 N/A TYR 390.A N CYS 387.A O no hydrogen 2.866 N/A TYR 390.A OH HIS 355.A ND1 no hydrogen 2.955 N/A ASN 392.A N TYR 397.A OH no hydrogen 2.772 N/A HIS 393.A N GLU 356.A OE2 no hydrogen 2.637 N/A LEU 395.A N HIS 393.A ND1 no hydrogen 3.137 N/A TRP 396.A N HIS 393.A O no hydrogen 2.798 N/A TYR 397.A N PRO 394.A O no hydrogen 3.273 N/A TYR 397.A OH ASP 409.A OD1 no hydrogen 2.561 N/A LEU 399.A N LEU 395.A O no hydrogen 2.983 N/A CYS 400.A N TRP 396.A O no hydrogen 3.107 N/A CYS 400.A SG TRP 396.A O no hydrogen 3.137 N/A ASP 401.A N TYR 397.A O no hydrogen 2.844 N/A ARG 402.A N THR 398.A O no hydrogen 3.221 N/A ARG 402.A N LEU 399.A O no hydrogen 3.060 N/A ARG 402.A NE ASP 327.A OD2 no hydrogen 3.081 N/A ARG 402.A NH2 ASP 43.A OD2 no hydrogen 2.785 N/A ARG 402.A NH2 ASP 327.A OD2 no hydrogen 3.198 N/A TYR 403.A N LEU 399.A O no hydrogen 2.720 N/A GLY 404.A N CYS 400.A O no hydrogen 2.988 N/A LEU 405.A N CYS 400.A O no hydrogen 3.068 N/A TYR 406.A N ASN 383.A O no hydrogen 2.694 N/A TYR 406.A OH SER 300.A OG no hydrogen 3.343 N/A VAL 407.A N SER 450.A O no hydrogen 2.711 N/A VAL 408.A N VAL 385.A O no hydrogen 2.991 N/A ASP 409.A N ILE 453.A O no hydrogen 3.106 N/A ALA 411.A N SER 455.A O no hydrogen 2.904 N/A ASN 412.A ND2 ASP 162.A OD1 no hydrogen 2.960 N/A ILE 413.A N ALA 411.A O no hydrogen 2.901 N/A GLU 414.A N LEU 195.A O no hydrogen 2.627 N/A THR 415.A N SER 460.A OG no hydrogen 3.189 N/A THR 415.A OG1 MET 421.A O no hydrogen 2.975 N/A GLY 417.A N ASP 197.A OD2 no hydrogen 2.986 N/A MET 418.A N THR 415.A O no hydrogen 2.983 N/A ASN 422.A ND2 HIS 462.A O no hydrogen 3.117 N/A ARG 423.A NE VAL 419.A O no hydrogen 2.568 N/A ARG 423.A NH2 VAL 419.A O no hydrogen 3.324 N/A THR 425.A OG1 SER 460.A O no hydrogen 2.679 N/A ASP 427.A N LEU 424.A O no hydrogen 2.968 N/A ARG 429.A N ASP 427.A OD1 no hydrogen 2.975 N/A TRP 430.A N ASP 427.A O no hydrogen 3.084 N/A LEU 431.A N PRO 428.A O no hydrogen 3.107 N/A MET 434.A N TRP 430.A O no hydrogen 3.070 N/A SER 435.A N LEU 431.A O no hydrogen 2.739 N/A SER 435.A OG LEU 431.A O no hydrogen 3.473 N/A SER 435.A OG PRO 432.A O no hydrogen 2.757 N/A GLU 436.A N PRO 432.A O no hydrogen 3.005 N/A ARG 437.A NH1 GLU 196.A OE2 no hydrogen 3.246 N/A ARG 437.A NH1 ASN 412.A O no hydrogen 2.856 N/A ARG 437.A NH2 GLU 196.A OE2 no hydrogen 3.120 N/A VAL 438.A N MET 434.A O no hydrogen 3.212 N/A VAL 438.A N SER 435.A O no hydrogen 3.098 N/A THR 439.A N SER 435.A O no hydrogen 2.729 N/A THR 439.A OG1 SER 435.A O no hydrogen 2.839 N/A ARG 440.A N GLU 436.A O no hydrogen 3.134 N/A ARG 440.A NH2 PRO 166.A O no hydrogen 2.717 N/A VAL 442.A N VAL 438.A O no hydrogen 3.092 N/A GLN 443.A N THR 439.A O no hydrogen 2.814 N/A ARG 444.A N ARG 440.A O no hydrogen 3.227 N/A ARG 444.A N MET 441.A O no hydrogen 3.042 N/A ARG 444.A NE ASP 445.A OD1 no hydrogen 2.540 N/A ARG 444.A NE ASP 445.A OD2 no hydrogen 3.323 N/A ARG 444.A NH1 ASN 392.A O no hydrogen 3.208 N/A ARG 444.A NH2 ASN 392.A O no hydrogen 2.951 N/A ARG 444.A NH2 ASP 445.A OD2 no hydrogen 2.898 N/A ASP 445.A N MET 441.A O no hydrogen 2.946 N/A ARG 446.A NH2 VAL 476.A O no hydrogen 3.075 N/A ASN 447.A ND2 PHE 223.A O no hydrogen 3.029 N/A HIS 448.A N ASP 445.A O no hydrogen 3.386 N/A HIS 448.A ND1 ASP 401.A OD2 no hydrogen 2.953 N/A SER 450.A N ASP 401.A OD1 no hydrogen 2.992 N/A SER 450.A OG TYR 397.A O no hydrogen 3.173 N/A SER 450.A OG ASP 401.A OD1 no hydrogen 2.579 N/A VAL 451.A N HIS 448.A O no hydrogen 3.090 N/A ILE 452.A N VAL 407.A O no hydrogen 3.033 N/A TRP 454.A N PRO 481.A O no hydrogen 2.969 N/A TRP 454.A NE1 ASP 477.A OD2 no hydrogen 2.982 N/A SER 455.A N ASP 409.A O no hydrogen 2.824 N/A SER 455.A OG GLU 410.A OE2 no hydrogen 2.558 N/A SER 455.A OG GLN 483.A O no hydrogen 3.233 N/A LEU 456.A N GLN 483.A O no hydrogen 3.279 N/A ASN 458.A N ILE 413.A O no hydrogen 2.942 N/A ASN 458.A ND2 GLU 414.A OE2 no hydrogen 3.064 N/A SER 460.A N TYR 484.A OH no hydrogen 3.056 N/A SER 460.A OG ILE 413.A O no hydrogen 3.485 N/A SER 460.A OG ASN 458.A O no hydrogen 2.736 N/A HIS 462.A NE2 ASP 467.A OD1 no hydrogen 2.886 N/A GLY 463.A N HIS 466.A ND1 no hydrogen 3.240 N/A ALA 464.A N ASP 426.A OD1 no hydrogen 2.850 N/A ASN 465.A N THR 425.A O no hydrogen 3.140 N/A ASN 465.A ND2 ASP 427.A O no hydrogen 2.862 N/A HIS 466.A N GLY 463.A O no hydrogen 3.105 N/A ALA 468.A N ALA 464.A O no hydrogen 2.912 N/A LEU 469.A N ASN 465.A O no hydrogen 2.925 N/A TYR 470.A N HIS 466.A O no hydrogen 2.645 N/A TYR 470.A OH ASP 495.A OD1 no hydrogen 2.452 N/A ARG 471.A N ASP 467.A O no hydrogen 3.094 N/A TRP 472.A N ALA 468.A O no hydrogen 3.060 N/A TRP 472.A N LEU 469.A O no hydrogen 3.231 N/A ILE 473.A N LEU 469.A O no hydrogen 3.151 N/A LYS 474.A N TYR 470.A O no hydrogen 3.137 N/A LYS 474.A NZ ASP 495.A OD1 no hydrogen 3.179 N/A LYS 474.A NZ ASP 495.A OD2 no hydrogen 2.646 N/A SER 475.A N ARG 471.A O no hydrogen 3.135 N/A VAL 476.A N ILE 473.A O no hydrogen 2.955 N/A ASP 477.A N ILE 473.A O no hydrogen 2.677 N/A SER 479.A OG ASP 477.A OD1 no hydrogen 3.058 N/A ARG 480.A NE VAL 451.A O no hydrogen 2.576 N/A ARG 480.A NH1 ARG 446.A O no hydrogen 3.039 N/A ARG 480.A NH2 ARG 446.A O no hydrogen 2.654 N/A ARG 480.A NH2 HIS 448.A O no hydrogen 3.086 N/A VAL 482.A N ASP 495.A OD2 no hydrogen 2.829 N/A GLN 483.A N TRP 454.A O no hydrogen 2.796 N/A TYR 484.A N THR 494.A OG1 no hydrogen 3.126 N/A TYR 484.A OH GLY 461.A O no hydrogen 2.555 N/A ALA 489.A N GLU 485.A O no hydrogen 2.760 N/A THR 492.A OG1 ASP 467.A OD1 no hydrogen 2.847 N/A THR 492.A OG1 ASP 467.A OD2 no hydrogen 3.421 N/A ALA 493.A N THR 491.A OG1 no hydrogen 3.253 N/A THR 494.A OG1 ILE 496.A O no hydrogen 2.433 N/A ASP 495.A N VAL 482.A O no hydrogen 2.642 N/A ILE 496.A N THR 494.A OG1 no hydrogen 3.130 N/A ILE 497.A N PRO 530.A O no hydrogen 2.925 N/A CYS 498.A N ALA 489.A O no hydrogen 3.302 N/A CYS 498.A SG THR 494.A OG1 no hydrogen 3.679 N/A CYS 498.A SG ILE 496.A O no hydrogen 3.374 N/A TYR 501.A N GLN 535.A O no hydrogen 2.735 N/A ARG 503.A NH1 GLU 506.A OE1 no hydrogen 2.769 N/A ARG 503.A NH1 PRO 999.A O no hydrogen 3.275 N/A ARG 503.A NH2 ASP 995.A OD1 no hydrogen 3.357 N/A ARG 503.A NH2 ASP 995.A OD2 no hydrogen 2.944 N/A ARG 503.A NH2 PRO 999.A O no hydrogen 3.408 N/A GLN 508.A N LYS 515.A O no hydrogen 2.977 N/A PHE 510.A N GLN 508.A O no hydrogen 2.834 N/A VAL 513.A N PRO 511.A O no hydrogen 2.521 N/A LYS 515.A N GLN 508.A O no hydrogen 2.930 N/A LYS 515.A NZ MET 500.A O no hydrogen 3.089 N/A SER 517.A N ASP 507.A OD1 no hydrogen 2.756 N/A SER 517.A OG VAL 504.A O no hydrogen 2.422 N/A ILE 518.A N ARG 503.A O no hydrogen 3.077 N/A LYS 520.A NZ ASP 507.A OD2 no hydrogen 2.952 N/A TRP 521.A N SER 517.A O no hydrogen 2.615 N/A TRP 521.A NE1 ASP 490.A OD2 no hydrogen 2.949 N/A LEU 522.A N ILE 518.A O no hydrogen 3.372 N/A SER 523.A N LYS 520.A O no hydrogen 2.932 N/A SER 523.A OG LYS 520.A O no hydrogen 2.434 N/A LEU 524.A N TRP 521.A O no hydrogen 3.341 N/A GLU 527.A N LEU 524.A O no hydrogen 2.932 N/A ARG 529.A N GLU 527.A OE1 no hydrogen 3.401 N/A ARG 529.A NE GLU 527.A OE1 no hydrogen 2.952 N/A ARG 529.A NH1 THR 491.A O no hydrogen 2.832 N/A ARG 529.A NH1 THR 494.A O no hydrogen 2.849 N/A ARG 529.A NH2 ASP 490.A O no hydrogen 2.806 N/A ARG 529.A NH2 GLU 527.A OE1 no hydrogen 3.385 N/A ARG 529.A NH2 GLU 527.A OE2 no hydrogen 3.269 N/A LEU 531.A N ARG 559.A O no hydrogen 2.823 N/A ILE 532.A N ILE 497.A O no hydrogen 2.954 N/A LEU 533.A N GLY 562.A O no hydrogen 3.043 N/A CYS 534.A N CYS 498.A O no hydrogen 3.441 N/A GLN 535.A NE2 TYR 501.A OH no hydrogen 2.822 N/A TYR 536.A N PHE 564.A O no hydrogen 3.048 N/A HIS 538.A ND1 SER 996.A OG no hydrogen 2.800 N/A ALA 539.A N TRP 566.A O no hydrogen 2.827 N/A SER 543.A OG HIS 538.A O no hydrogen 2.964 N/A SER 543.A OG GLY 992.A O no hydrogen 3.395 N/A GLY 545.A N GLY 992.A O no hydrogen 2.790 N/A GLY 546.A N ASP 906.A O no hydrogen 2.739 N/A LYS 549.A NZ SER 1002.A OG no hydrogen 3.112 N/A LYS 549.A NZ GLU 1004.A OE1 no hydrogen 2.967 N/A TYR 550.A N PHE 547.A O no hydrogen 3.027 N/A TYR 550.A OH ALA 502.A O no hydrogen 2.522 N/A GLN 552.A N ALA 548.A O no hydrogen 2.924 N/A GLN 552.A NE2 GLN 556.A OE1 no hydrogen 2.770 N/A ALA 553.A N LYS 549.A O no hydrogen 3.252 N/A PHE 554.A N TYR 550.A O no hydrogen 2.744 N/A ARG 555.A N TRP 551.A O no hydrogen 3.025 N/A ARG 555.A NE GLU 639.A OE1 no hydrogen 2.613 N/A ARG 555.A NE GLU 639.A OE2 no hydrogen 3.050 N/A ARG 555.A NH1 GLN 621.A O no hydrogen 3.145 N/A ARG 555.A NH2 GLN 621.A O no hydrogen 2.664 N/A ARG 555.A NH2 GLN 623.A O no hydrogen 3.225 N/A ARG 555.A NH2 GLU 639.A OE1 no hydrogen 3.237 N/A GLN 556.A N GLN 552.A O no hydrogen 3.062 N/A TYR 557.A N ALA 553.A O no hydrogen 2.971 N/A ARG 559.A NH1 ARG 529.A O no hydrogen 2.452 N/A ARG 559.A NH2 LEU 522.A O no hydrogen 2.808 N/A LEU 560.A N TYR 557.A O no hydrogen 3.172 N/A GLN 561.A N LEU 531.A O no hydrogen 3.120 N/A GLN 561.A NE2 LEU 340.A O no hydrogen 2.937 N/A GLN 561.A NE2 LEU 347.A O no hydrogen 2.748 N/A GLY 563.A N ILE 349.A O no hydrogen 3.187 N/A PHE 564.A N LEU 533.A O no hydrogen 2.896 N/A VAL 565.A N GLY 351.A O no hydrogen 3.082 N/A TRP 566.A N TYR 536.A O no hydrogen 3.023 N/A ASP 567.A N ASN 602.A O no hydrogen 2.840 N/A TRP 568.A N ASN 353.A O no hydrogen 2.771 N/A TRP 568.A NE1 ASP 373.A OD1 no hydrogen 3.013 N/A ASP 570.A N VAL 605.A O no hydrogen 3.024 N/A GLN 571.A N CYS 600.A O no hydrogen 2.917 N/A GLN 571.A NE2 ASP 199.A O no hydrogen 3.430 N/A LEU 573.A N ALA 585.A O no hydrogen 2.958 N/A LYS 575.A N TRP 583.A O no hydrogen 2.876 N/A LYS 575.A NZ ASP 589.A O no hydrogen 2.683 N/A ASP 577.A N ASN 581.A O no hydrogen 3.157 N/A GLU 578.A N GLU 578.A OE1 no hydrogen 2.496 N/A ASN 579.A N ASP 577.A OD1 no hydrogen 3.199 N/A GLY 580.A N ASP 577.A O no hydrogen 3.146 N/A ASN 581.A N ASP 577.A OD1 no hydrogen 2.518 N/A ASN 581.A ND2 ASP 577.A OD2 no hydrogen 3.415 N/A TRP 583.A N LYS 575.A O no hydrogen 2.898 N/A ALA 585.A N LEU 573.A O no hydrogen 2.527 N/A TYR 586.A N ASP 589.A OD2 no hydrogen 2.783 N/A TYR 586.A OH SER 969.A O no hydrogen 2.783 N/A GLY 587.A N ARG 597.A O no hydrogen 3.085 N/A GLY 588.A N ASP 592.A OD2 no hydrogen 2.892 N/A ASP 589.A N TYR 586.A O no hydrogen 3.091 N/A PHE 590.A N ASP 592.A OD1 no hydrogen 2.927 N/A GLY 591.A N GLY 588.A O no hydrogen 3.162 N/A THR 593.A OG1 GLY 591.A O no hydrogen 3.124 N/A ASN 595.A ND2 ASP 592.A O no hydrogen 2.868 N/A ASP 596.A N TYR 98.A O no hydrogen 3.182 N/A ARG 597.A N ASN 595.A OD1 no hydrogen 2.972 N/A ARG 597.A NH1 GLN 598.A OE1 no hydrogen 2.683 N/A ARG 597.A NH2 GLY 792.A O no hydrogen 3.423 N/A GLN 598.A N GLN 598.A OE1 no hydrogen 2.765 N/A PHE 599.A N ASP 596.A O no hydrogen 3.062 N/A CYS 600.A SG GLN 571.A O no hydrogen 3.499 N/A CYS 600.A SG ARG 597.A O no hydrogen 3.800 N/A MET 601.A N GLN 598.A O no hydrogen 2.895 N/A ASN 602.A ND2 PHE 599.A O no hydrogen 3.052 N/A GLY 603.A N ASP 570.A OD1 no hydrogen 3.003 N/A LEU 604.A N ASP 567.A O no hydrogen 3.041 N/A VAL 605.A N TRP 568.A O no hydrogen 3.026 N/A PHE 606.A N THR 610.A O no hydrogen 2.595 N/A ARG 609.A N PHE 606.A O no hydrogen 2.738 N/A ARG 609.A NE ASP 373.A OD1 no hydrogen 2.595 N/A ARG 609.A NH1 HIS 357.A O no hydrogen 3.339 N/A ARG 609.A NH1 ALA 607.A O no hydrogen 2.892 N/A ARG 609.A NH2 HIS 357.A O no hydrogen 2.994 N/A ARG 609.A NH2 ASP 373.A OD1 no hydrogen 3.477 N/A ARG 609.A NH2 ASP 373.A OD2 no hydrogen 2.922 N/A THR 610.A N ASP 608.A OD1 no hydrogen 2.757 N/A THR 610.A OG1 ASP 608.A OD1 no hydrogen 2.962 N/A HIS 612.A N LEU 604.A O no hydrogen 2.684 N/A LEU 615.A N HIS 612.A O no hydrogen 3.324 N/A THR 616.A OG1 PRO 613.A O no hydrogen 3.309 N/A ALA 618.A N ALA 614.A O no hydrogen 3.071 N/A LYS 619.A N LEU 615.A O no hydrogen 2.840 N/A LYS 619.A NZ GLN 379.A O no hydrogen 3.240 N/A LYS 619.A NZ ILE 712.A O no hydrogen 2.698 N/A HIS 620.A N THR 616.A O no hydrogen 2.693 N/A HIS 620.A ND1 GLN 623.A OE1 no hydrogen 3.049 N/A GLN 621.A N GLU 617.A O no hydrogen 3.023 N/A GLN 621.A NE2 THR 909.A OG1 no hydrogen 3.121 N/A GLN 622.A N ALA 618.A O no hydrogen 2.850 N/A GLN 622.A NE2 ASN 380.A O no hydrogen 3.605 N/A GLN 623.A N HIS 620.A O no hydrogen 3.351 N/A GLN 623.A NE2 PHE 625.A O no hydrogen 3.225 N/A GLN 623.A NE2 TRP 715.A O no hydrogen 3.081 N/A GLN 626.A N THR 637.A O no hydrogen 2.946 N/A GLN 626.A NE2 PHE 625.A O no hydrogen 3.402 N/A ARG 628.A N GLU 635.A O no hydrogen 2.711 N/A SER 630.A N THR 633.A O no hydrogen 3.168 N/A THR 633.A N SER 630.A O no hydrogen 3.238 N/A ILE 634.A N ILE 678.A O no hydrogen 2.949 N/A GLU 635.A N ARG 628.A O no hydrogen 2.586 N/A VAL 636.A N GLN 676.A O no hydrogen 3.002 N/A THR 637.A N GLN 626.A O no hydrogen 2.743 N/A SER 638.A N GLY 674.A O no hydrogen 3.096 N/A GLU 639.A N PHE 624.A O no hydrogen 2.707 N/A LEU 641.A N GLU 302.A OE1 no hydrogen 3.179 N/A LEU 641.A N GLU 302.A OE2 no hydrogen 2.747 N/A PHE 642.A N GLU 302.A OE1 no hydrogen 2.714 N/A ARG 643.A N GLU 302.A OE1 no hydrogen 3.313 N/A ARG 643.A NH1 GLU 648.A OE1 no hydrogen 2.666 N/A ARG 643.A NH2 GLU 648.A OE1 no hydrogen 2.665 N/A ARG 643.A NH2 GLU 648.A OE2 no hydrogen 2.778 N/A SER 645.A N VAL 670.A O no hydrogen 3.080 N/A SER 645.A OG LEU 668.A O no hydrogen 3.086 N/A SER 645.A OG VAL 670.A O no hydrogen 3.278 N/A ASP 646.A N HIS 644.A O no hydrogen 2.775 N/A ASN 647.A N GLU 648.A OE2 no hydrogen 2.862 N/A ASN 647.A ND2 ASN 702.A O no hydrogen 3.095 N/A LEU 649.A N VAL 699.A O no hydrogen 2.859 N/A LEU 650.A N VAL 666.A O no hydrogen 3.043 N/A HIS 651.A N.A ARG 697.A O no hydrogen 2.771 N/A HIS 651.A N.B ARG 697.A O no hydrogen 2.764 N/A TRP 652.A N GLY 664.A O no hydrogen 2.851 N/A MET 653.A N THR 695.A O no hydrogen 2.792 N/A VAL 654.A N ALA 662.A O no hydrogen 3.165 N/A ALA 655.A N TRP 693.A O no hydrogen 2.892 N/A LEU 656.A N LYS 659.A O no hydrogen 3.079 N/A ASP 657.A N GLN 691.A O no hydrogen 3.194 N/A LYS 659.A N LEU 656.A O no hydrogen 3.363 N/A LEU 661.A N VAL 654.A O no hydrogen 3.000 N/A VAL 666.A N LEU 650.A O no hydrogen 3.099 N/A LEU 668.A N GLU 648.A O no hydrogen 3.260 N/A VAL 670.A N SER 645.A OG no hydrogen 2.679 N/A GLY 674.A N ALA 671.A O no hydrogen 2.797 N/A LYS 675.A NZ GLU 635.A OE1 no hydrogen 3.078 N/A GLN 676.A N VAL 636.A O no hydrogen 3.066 N/A ILE 678.A N ILE 634.A O no hydrogen 2.989 N/A LEU 680.A N GLN 632.A O no hydrogen 2.784 N/A GLY 690.A N ASN 723.A O no hydrogen 2.940 N/A GLN 691.A N ASP 657.A OD1 no hydrogen 3.231 N/A LEU 692.A N ALA 721.A O no hydrogen 2.725 N/A TRP 693.A N ALA 655.A O no hydrogen 2.982 N/A LEU 694.A N TRP 718.A O no hydrogen 2.902 N/A THR 695.A N MET 653.A O no hydrogen 2.697 N/A VAL 696.A N GLN 716.A O no hydrogen 3.145 N/A ARG 697.A N HIS 651.A O.A no hydrogen 2.715 N/A ARG 697.A N HIS 651.A O.B no hydrogen 2.710 N/A VAL 698.A N ALA 714.A O no hydrogen 2.880 N/A VAL 699.A N LEU 649.A O no hydrogen 2.758 N/A GLN 700.A N HIS 711.A O no hydrogen 2.840 N/A ASN 702.A N ASN 647.A OD1 no hydrogen 3.051 N/A ASN 702.A ND2 ASN 647.A OD1 no hydrogen 2.983 N/A THR 704.A N SER 707.A O no hydrogen 3.306 N/A TRP 706.A N THR 704.A OG1 no hydrogen 2.756 N/A SER 707.A N THR 704.A OG1 no hydrogen 2.862 N/A SER 707.A OG GLU 708.A O no hydrogen 3.016 N/A GLY 710.A N GLN 700.A O no hydrogen 2.911 N/A HIS 711.A N GLU 708.A O no hydrogen 3.304 N/A SER 713.A N VAL 698.A O no hydrogen 2.796 N/A TRP 715.A N GLN 623.A OE1 no hydrogen 3.295 N/A TRP 715.A NE1 ALA 910.A O no hydrogen 3.084 N/A GLN 716.A N VAL 696.A O no hydrogen 3.185 N/A GLN 717.A NE2 THR 695.A OG1 no hydrogen 2.526 N/A GLN 717.A NE2 PHE 913.A O no hydrogen 3.147 N/A TRP 718.A N LEU 694.A O no hydrogen 3.050 N/A LEU 720.A N LEU 692.A O no hydrogen 2.602 N/A ASN 723.A N GLY 690.A O no hydrogen 3.064 N/A ASN 723.A ND2 PRO 686.A O no hydrogen 2.692 N/A ASN 723.A ND2 SER 688.A O no hydrogen 2.592 N/A HIS 737.A N GLU 748.A O no hydrogen 3.058 N/A THR 739.A N CYS 746.A O no hydrogen 2.762 N/A THR 739.A OG1 CYS 746.A O no hydrogen 3.299 N/A SER 741.A N ASP 744.A O no hydrogen 2.982 N/A SER 741.A OG ASP 744.A OD1 no hydrogen 3.433 N/A MET 743.A N SER 741.A OG no hydrogen 2.465 N/A ASP 744.A N SER 741.A OG no hydrogen 2.923 N/A PHE 745.A N PHE 756.A O no hydrogen 2.679 N/A CYS 746.A N THR 739.A O no hydrogen 3.031 N/A CYS 746.A SG ILE 747.A O no hydrogen 3.923 N/A CYS 746.A SG TRP 754.A O no hydrogen 3.444 N/A ILE 747.A N TRP 754.A O no hydrogen 2.844 N/A GLU 748.A N HIS 737.A O no hydrogen 3.065 N/A LEU 749.A N LYS 752.A O no hydrogen 2.850 N/A LYS 752.A N LEU 749.A O no hydrogen 3.067 N/A ARG 753.A N TRP 767.A O no hydrogen 3.287 N/A TRP 754.A N ILE 747.A O no hydrogen 2.820 N/A GLN 755.A N GLN 765.A O no hydrogen 2.866 N/A PHE 756.A N PHE 745.A O no hydrogen 2.652 N/A ASN 757.A N PHE 762.A O no hydrogen 3.024 N/A ARG 758.A N MET 743.A O no hydrogen 2.725 N/A GLN 759.A N ASN 757.A OD1 no hydrogen 2.534 N/A SER 760.A N ASN 757.A OD1 no hydrogen 2.561 N/A SER 760.A OG ASN 757.A O no hydrogen 3.382 N/A GLY 761.A N ASN 757.A O no hydrogen 2.503 N/A PHE 762.A N SER 760.A OG no hydrogen 3.071 N/A SER 764.A N GLN 755.A O no hydrogen 2.684 N/A SER 764.A OG PHE 762.A O no hydrogen 3.349 N/A TRP 767.A N ARG 753.A O no hydrogen 2.680 N/A ILE 768.A N LYS 771.A O no hydrogen 3.361 N/A LYS 771.A N ILE 768.A O no hydrogen 3.258 N/A GLN 773.A N GLN 765.A OE1 no hydrogen 2.592 N/A GLN 773.A NE2 LYS 771.A O no hydrogen 3.358 N/A LEU 775.A N GLN 885.A O no hydrogen 2.759 N/A THR 776.A OG1 GLN 885.A OE1 no hydrogen 3.004 N/A LEU 778.A N LEU 763.A O no hydrogen 3.230 N/A ARG 779.A N ASN 883.A O no hydrogen 3.070 N/A GLN 781.A N GLY 881.A O no hydrogen 2.884 N/A GLN 781.A NE2 ASN 983.A OD1 no hydrogen 2.247 N/A ARG 784.A NH1 HIS 988.A NE2 no hydrogen 2.944 N/A ARG 784.A NH1 MET 989.A O no hydrogen 3.349 N/A ARG 784.A NH2 ASP 790.A OD1 no hydrogen 2.781 N/A ARG 784.A NH2 GLY 990.A O no hydrogen 3.265 N/A LEU 787.A N ASP 790.A OD2 no hydrogen 2.799 N/A ASN 789.A ND2 SER 543.A OG no hydrogen 2.560 N/A ASN 789.A ND2 ILE 991.A O no hydrogen 2.974 N/A ILE 791.A N LEU 787.A O no hydrogen 2.948 N/A GLY 792.A N ASP 788.A O no hydrogen 2.827 N/A SER 794.A N ILE 791.A O no hydrogen 3.260 N/A SER 794.A OG GLU 806.A OE1 no hydrogen 3.140 N/A GLU 795.A N ARG 798.A O no hydrogen 3.007 N/A ASP 800.A N SER 794.A OG no hydrogen 2.789 N/A ALA 803.A N ASP 800.A O no hydrogen 3.034 N/A VAL 805.A N ASP 790.A O no hydrogen 2.944 N/A ARG 807.A N ALA 803.A O no hydrogen 3.007 N/A TRP 808.A N TRP 804.A O no hydrogen 2.978 N/A TRP 808.A NE1 HIS 876.A O no hydrogen 2.840 N/A LYS 809.A N VAL 805.A O no hydrogen 2.964 N/A ALA 810.A N GLU 806.A O no hydrogen 2.957 N/A ALA 811.A N ARG 807.A O no hydrogen 3.276 N/A GLY 812.A N LYS 809.A O no hydrogen 2.852 N/A HIS 813.A N TRP 808.A O no hydrogen 2.976 N/A HIS 813.A NE2 THR 874.A OG1 no hydrogen 2.775 N/A TYR 814.A OH ARG 784.A O no hydrogen 2.893 N/A ALA 819.A N ALA 839.A O no hydrogen 2.850 N/A LEU 821.A N ALA 837.A O no hydrogen 2.832 N/A GLN 822.A N ALA 837.A O no hydrogen 3.350 N/A THR 824.A N THR 835.A O no hydrogen 2.959 N/A ASP 826.A N LEU 833.A O no hydrogen 3.079 N/A LEU 828.A N ALA 831.A O no hydrogen 2.852 N/A VAL 832.A N ILE 856.A O no hydrogen 3.239 N/A LEU 833.A N ASP 826.A O no hydrogen 3.211 N/A ILE 834.A N TYR 854.A O no hydrogen 3.274 N/A THR 835.A OG1 LYS 852.A O no hydrogen 3.238 N/A THR 836.A N LYS 852.A O no hydrogen 2.963 N/A THR 836.A OG1 HIS 838.A NE2 no hydrogen 3.375 N/A HIS 838.A N SER 850.A O no hydrogen 3.267 N/A ALA 839.A N ALA 819.A O no hydrogen 3.085 N/A TRP 840.A N PHE 848.A O no hydrogen 2.691 N/A HIS 842.A N LYS 845.A O no hydrogen 3.230 N/A LEU 847.A N TRP 840.A O no hydrogen 2.566 N/A PHE 848.A N TRP 840.A O no hydrogen 3.375 N/A ILE 849.A N GLU 869.A O no hydrogen 3.297 N/A SER 850.A N HIS 838.A O no hydrogen 2.783 N/A SER 850.A OG ASP 780.A OD2 no hydrogen 2.670 N/A ARG 851.A N ASP 867.A O no hydrogen 3.126 N/A ARG 851.A NH1 GLU 869.A OE2 no hydrogen 2.672 N/A LYS 852.A N THR 836.A O no hydrogen 2.929 N/A LYS 852.A NZ ASP 780.A OD2 no hydrogen 2.456 N/A LYS 852.A NZ SER 850.A OG no hydrogen 2.598 N/A THR 853.A N THR 865.A O no hydrogen 3.015 N/A THR 853.A OG1 THR 865.A OG1 no hydrogen 3.092 N/A TYR 854.A N ILE 834.A O no hydrogen 3.001 N/A ARG 855.A N ALA 863.A O no hydrogen 2.826 N/A ILE 856.A N VAL 832.A O no hydrogen 3.312 N/A ASP 857.A N SER 859.A OG no hydrogen 2.826 N/A SER 859.A OG GLN 861.A O no hydrogen 2.723 N/A GLN 861.A N SER 859.A OG no hydrogen 2.981 N/A MET 862.A N TRP 1018.A O no hydrogen 2.786 N/A ALA 863.A N ARG 855.A O no hydrogen 2.793 N/A ILE 864.A N LEU 1016.A O no hydrogen 2.839 N/A THR 865.A N THR 853.A O no hydrogen 2.871 N/A THR 865.A OG1 THR 853.A O no hydrogen 3.553 N/A THR 865.A OG1 THR 853.A OG1 no hydrogen 3.092 N/A VAL 866.A N TYR 1014.A O no hydrogen 3.121 N/A ASP 867.A N ARG 851.A O no hydrogen 2.880 N/A VAL 868.A N TYR 1012.A O no hydrogen 3.001 N/A GLU 869.A N ILE 849.A O no hydrogen 2.864 N/A VAL 870.A N GLY 1010.A O no hydrogen 2.727 N/A ALA 871.A N LEU 847.A O no hydrogen 3.078 N/A THR 874.A OG1 PRO 875.A O no hydrogen 3.486 N/A ARG 879.A NE THR 783.A O no hydrogen 2.835 N/A ARG 879.A NH1 GLN 962.A OE1 no hydrogen 3.076 N/A ARG 879.A NH2 THR 783.A O no hydrogen 2.780 N/A ARG 879.A NH2 GLN 962.A OE1 no hydrogen 2.736 N/A ILE 880.A N PHE 987.A O no hydrogen 3.154 N/A GLY 881.A N GLN 781.A O no hydrogen 3.284 N/A LEU 882.A N ILE 984.A O no hydrogen 2.431 N/A ASN 883.A N ARG 779.A O no hydrogen 2.806 N/A CYS 884.A N LEU 982.A O no hydrogen 3.149 N/A GLN 885.A NE2 GLU 978.A O no hydrogen 2.310 N/A LEU 886.A N THR 980.A O no hydrogen 2.583 N/A ALA 887.A N GLN 773.A O no hydrogen 2.836 N/A ALA 890.A N TYR 944.A OH no hydrogen 2.849 N/A ARG 892.A NE ASP 917.A OD1 no hydrogen 2.530 N/A ARG 892.A NH2 ASP 917.A O no hydrogen 3.104 N/A VAL 893.A N LEU 918.A O no hydrogen 2.881 N/A ASN 894.A N ASN 943.A O no hydrogen 2.950 N/A ASN 894.A ND2 ASP 917.A OD2 no hydrogen 3.325 N/A TRP 895.A N TRP 916.A O no hydrogen 2.982 N/A LEU 896.A N GLU 941.A O no hydrogen 2.660 N/A GLY 897.A N ASP 914.A O no hydrogen 3.170 N/A LEU 898.A N CYS 937.A O no hydrogen 3.118 N/A GLY 899.A N CYS 912.A O no hydrogen 2.779 N/A ASN 903.A N LEU 935.A O no hydrogen 2.848 N/A ASN 903.A ND2 LEU 898.A O no hydrogen 2.873 N/A ASN 903.A ND2 GLN 901.A O no hydrogen 3.022 N/A TYR 904.A N ARG 907.A O no hydrogen 3.135 N/A TYR 904.A OH GLU 902.A OE2 no hydrogen 3.384 N/A TYR 904.A OH GLU 932.A OE2 no hydrogen 2.392 N/A ARG 907.A N TYR 904.A O no hydrogen 2.662 N/A ARG 907.A NH1 ASN 542.A OD1 no hydrogen 3.044 N/A ARG 907.A NH1 SER 543.A O no hydrogen 2.938 N/A ARG 907.A NH2 GLU 902.A O no hydrogen 3.395 N/A ARG 907.A NH2 GLU 902.A OE1 no hydrogen 2.962 N/A THR 909.A OG1 GLU 617.A OE1 no hydrogen 2.511 N/A ALA 910.A N GLU 617.A OE2 no hydrogen 2.911 N/A ALA 911.A N LEU 908.A O no hydrogen 3.087 N/A CYS 912.A N GLY 899.A O no hydrogen 2.837 N/A PHE 913.A N GLN 717.A OE1 no hydrogen 2.844 N/A ASP 914.A N GLY 897.A O no hydrogen 3.325 N/A ARG 915.A NH1 ASN 894.A OD1 no hydrogen 2.769 N/A TRP 916.A N TRP 895.A O no hydrogen 2.870 N/A TRP 916.A NE1 CYS 912.A O no hydrogen 2.982 N/A LEU 918.A N VAL 893.A O no hydrogen 3.165 N/A LEU 920.A N GLU 891.A O no hydrogen 3.465 N/A ASP 922.A N PRO 919.A O no hydrogen 3.065 N/A MET 923.A N LEU 920.A O no hydrogen 3.291 N/A THR 925.A N ASN 933.A OD1 no hydrogen 2.306 N/A TYR 927.A N THR 925.A O no hydrogen 2.718 N/A TYR 927.A OH ASN 542.A OD1 no hydrogen 2.948 N/A TYR 927.A OH GLU 902.A OE1 no hydrogen 2.762 N/A SER 931.A OG GLU 932.A O no hydrogen 2.906 N/A GLU 932.A N ALA 785.A O no hydrogen 3.082 N/A ASN 933.A ND2 SER 931.A O no hydrogen 3.058 N/A ARG 936.A N PHE 955.A O no hydrogen 2.874 N/A ARG 936.A NE PRO 900.A O no hydrogen 3.035 N/A ARG 936.A NH1 GLY 934.A O no hydrogen 2.606 N/A ARG 936.A NH2 PRO 900.A O no hydrogen 2.886 N/A ARG 936.A NH2 ASP 922.A O no hydrogen 3.150 N/A CYS 937.A N ASN 903.A OD1 no hydrogen 2.692 N/A CYS 937.A SG ASN 903.A O no hydrogen 3.260 N/A THR 939.A N PHE 953.A O no hydrogen 2.912 N/A THR 939.A OG1 PHE 953.A O no hydrogen 2.725 N/A ARG 940.A N LEU 896.A O no hydrogen 3.213 N/A LEU 942.A N TRP 949.A O no hydrogen 2.842 N/A ASN 943.A N ASN 894.A O no hydrogen 2.548 N/A TYR 944.A OH THR 980.A OG1 no hydrogen 2.738 N/A HIS 947.A N TYR 944.A O no hydrogen 3.218 N/A TRP 949.A N LEU 942.A O no hydrogen 2.940 N/A ARG 950.A N VAL 1017.A O no hydrogen 3.146 N/A PHE 953.A N THR 939.A O no hydrogen 2.563 N/A GLN 954.A N ASP 985.A O no hydrogen 2.545 N/A PHE 955.A N ARG 936.A O no hydrogen 3.085 N/A ASN 956.A N ASN 983.A O no hydrogen 3.340 N/A SER 958.A N TRP 981.A O no hydrogen 3.147 N/A ARG 959.A N SER 958.A OG no hydrogen 2.346 N/A ARG 959.A NE GLU 977.A O no hydrogen 2.884 N/A ARG 959.A NH2 GLU 977.A O no hydrogen 2.679 N/A SER 961.A N GLU 977.A OE2 no hydrogen 2.847 N/A GLN 962.A NE2 GLU 932.A OE1 no hydrogen 3.516 N/A GLN 963.A N SER 961.A OG no hydrogen 2.905 N/A GLN 964.A NE2 HIS 975.A O no hydrogen 3.255 N/A GLN 964.A NE2 GLU 977.A OE2 no hydrogen 2.571 N/A LEU 965.A N SER 961.A O no hydrogen 3.160 N/A MET 966.A N GLN 962.A O no hydrogen 3.152 N/A GLU 967.A N GLN 963.A O no hydrogen 2.952 N/A THR 968.A OG1 GLN 964.A O no hydrogen 2.405 N/A HIS 970.A NE2 ASP 589.A OD2 no hydrogen 2.701 N/A LEU 973.A N HIS 970.A O no hydrogen 3.230 N/A LEU 974.A N ARG 971.A O no hydrogen 3.303 N/A HIS 975.A N GLN 964.A OE1 no hydrogen 2.988 N/A GLU 977.A N ARG 959.A O no hydrogen 2.907 N/A THR 980.A N LEU 886.A O no hydrogen 2.853 N/A THR 980.A OG1 GLN 888.A O no hydrogen 2.868 N/A THR 980.A OG1 TYR 944.A OH no hydrogen 2.738 N/A TRP 981.A N SER 958.A O no hydrogen 2.959 N/A TRP 981.A NE1 GLU 977.A OE1 no hydrogen 2.848 N/A LEU 982.A N CYS 884.A O no hydrogen 3.090 N/A ASN 983.A N ASN 956.A O no hydrogen 3.158 N/A ASN 983.A ND2 ASN 956.A OD1 no hydrogen 2.510 N/A ILE 984.A N LEU 882.A O no hydrogen 2.634 N/A ASP 985.A N GLN 954.A O no hydrogen 2.805 N/A GLY 986.A N ILE 880.A O no hydrogen 3.157 N/A PHE 987.A N ILE 880.A O no hydrogen 3.406 N/A MET 989.A N ALA 878.A O no hydrogen 2.867 N/A GLY 990.A N PHE 1005.A O no hydrogen 3.085 N/A ILE 991.A N ASP 906.A OD1 no hydrogen 2.929 N/A GLY 992.A N ASP 906.A OD2 no hydrogen 2.883 N/A GLY 993.A N SER 1000.A OG no hydrogen 2.716 N/A SER 996.A OG HIS 538.A ND1 no hydrogen 2.800 N/A SER 996.A OG ASN 789.A OD1 no hydrogen 2.764 N/A TRP 997.A N ASP 995.A OD1 no hydrogen 3.451 N/A SER 998.A N ASP 995.A OD1 no hydrogen 2.927 N/A SER 1000.A OG ASP 995.A O no hydrogen 3.381 N/A GLU 1004.A N GLU 1004.A OE2 no hydrogen 2.792 N/A PHE 1005.A N SER 1002.A O no hydrogen 2.793 N/A GLN 1006.A N ALA 1003.A O no hydrogen 3.151 N/A GLN 1006.A NE2 VAL 1001.A O no hydrogen 2.706 N/A SER 1008.A OG SER 1008.A O no hydrogen 2.414 N/A ALA 1009.A N TYR 1012.A OH no hydrogen 2.686 N/A TYR 1012.A N VAL 868.A O no hydrogen 2.757 N/A TYR 1014.A N VAL 866.A O no hydrogen 3.246 N/A LEU 1016.A N ILE 864.A O no hydrogen 3.024 N/A VAL 1017.A N ARG 950.A O no hydrogen 2.782 N/A TRP 1018.A N MET 862.A O no hydrogen 2.848 N/A CYS 1019.A N GLN 948.A O no hydrogen 3.042 N/A CYS 1019.A SG GLN 948.A O no hydrogen 4.013 N/A CYS 1019.A SG GLN 948.A OE1 no hydrogen 3.862 N/A CYS 1019.A SG GLN 1020.A O no hydrogen 3.195 N/A