Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wsk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N TYR 57.A O no hydrogen 2.776 N/A LYS 5.A N ASN 19.A OD1 no hydrogen 2.981 N/A HIS 12.A N ASN 19.A O no hydrogen 3.084 N/A ASP 14.A N GLY 17.A O no hydrogen 2.984 N/A GLN 16.A N ASP 14.A OD1 no hydrogen 3.123 N/A VAL 18.A N LEU 58.A O no hydrogen 3.024 N/A ASN 19.A N HIS 12.A O no hydrogen 2.852 N/A ASN 19.A ND2 LYS 5.A O no hydrogen 2.960 N/A PHE 20.A N GLY 56.A O no hydrogen 2.822 N/A THR 21.A N GLY 10.A O no hydrogen 2.991 N/A THR 21.A OG1 PRO 8.A O no hydrogen 3.073 N/A LEU 22.A N TRP 54.A O no hydrogen 2.808 N/A SER 24.A N ASP 52.A O no hydrogen 3.017 N/A SER 24.A OG ILE 279.A O no hydrogen 2.578 N/A ALA 25.A N ASP 280.A OD2 no hydrogen 2.733 N/A HIS 26.A N ASP 280.A OD2 no hydrogen 3.310 N/A HIS 26.A ND1 ASP 280.A OD1 no hydrogen 2.965 N/A GLU 28.A N HIS 72.A O no hydrogen 2.698 N/A ARG 29.A NH1 ASP 45.A OD1 no hydrogen 3.511 N/A ARG 29.A NH1 ASP 45.A OD2 no hydrogen 2.690 N/A GLU 31.A N ARG 70.A O no hydrogen 2.823 N/A LEU 32.A N TYR 44.A O no hydrogen 2.741 N/A CYS 33.A N GLY 68.A O no hydrogen 2.724 N/A CYS 33.A SG GLU 31.A O no hydrogen 3.511 N/A CYS 33.A SG GLU 41.A OE1 no hydrogen 3.067 N/A VAL 34.A N HIS 42.A O no hydrogen 2.775 N/A PHE 35.A N ARG 66.A O no hydrogen 3.276 N/A ASP 36.A N GLN 40.A O no hydrogen 3.073 N/A ASN 38.A N ASP 36.A OD1 no hydrogen 2.742 N/A GLY 39.A N ASP 36.A O no hydrogen 3.002 N/A GLN 40.A N ASP 36.A OD1 no hydrogen 3.007 N/A HIS 42.A N VAL 34.A O no hydrogen 2.750 N/A ARG 43.A NE GLU 31.A OE1 no hydrogen 3.521 N/A ARG 43.A NE GLU 31.A OE2 no hydrogen 3.505 N/A ARG 43.A NH2 GLU 31.A OE1 no hydrogen 3.104 N/A TYR 44.A N LEU 32.A O no hydrogen 3.000 N/A LEU 46.A N VAL 30.A O no hydrogen 2.929 N/A GLY 48.A N HIS 55.A O no hydrogen 2.554 N/A SER 50.A OG HIS 55.A NE2 no hydrogen 2.663 N/A ILE 53.A N SER 50.A O no hydrogen 2.990 N/A TRP 54.A N LEU 22.A O no hydrogen 2.723 N/A TRP 54.A NE1 SER 24.A O no hydrogen 3.002 N/A HIS 55.A N GLY 48.A O no hydrogen 3.033 N/A HIS 55.A ND1 ILE 3.A O no hydrogen 2.815 N/A HIS 55.A NE2 SER 50.A OG no hydrogen 2.663 N/A GLY 56.A N PHE 20.A O no hydrogen 2.952 N/A TYR 57.A N ALA 2.A O no hydrogen 2.984 N/A TYR 57.A OH ASP 14.A OD1 no hydrogen 2.592 N/A TYR 57.A OH ASP 14.A OD2 no hydrogen 3.266 N/A LEU 58.A N VAL 18.A O no hydrogen 2.859 N/A ASP 60.A N GLN 16.A O no hydrogen 2.744 N/A ALA 61.A N LEU 58.A O no hydrogen 3.312 N/A GLY 64.A N VAL 128.A O no hydrogen 2.764 N/A LEU 65.A N ARG 62.A O no hydrogen 3.176 N/A ARG 66.A NE ASP 98.A OD1 no hydrogen 2.715 N/A ARG 66.A NH1 GLY 64.A O no hydrogen 2.765 N/A ARG 66.A NH2 ASP 98.A OD1 no hydrogen 3.085 N/A TYR 67.A N CYS 126.A O no hydrogen 2.876 N/A TYR 67.A OH ASP 91.A OD2 no hydrogen 3.005 N/A GLY 68.A N CYS 33.A O no hydrogen 2.834 N/A TYR 69.A N LEU 89.A O no hydrogen 2.864 N/A ARG 70.A N GLU 31.A O no hydrogen 3.038 N/A ARG 70.A NE PRO 85.A O no hydrogen 2.983 N/A ARG 70.A NH1 GLU 41.A OE1 no hydrogen 2.552 N/A ARG 70.A NH2 ALA 86.A O no hydrogen 3.150 N/A ARG 70.A NH2 ASP 118.A OD1 no hydrogen 2.370 N/A HIS 72.A N ARG 29.A O no hydrogen 2.984 N/A TRP 75.A NE1 ASN 112.A O no hydrogen 2.863 N/A GLU 79.A N GLN 76.A O no hydrogen 2.887 N/A GLY 80.A N PRO 77.A O no hydrogen 3.276 N/A HIS 81.A N GLN 76.A O no hydrogen 3.184 N/A ARG 82.A NH1 HIS 111.A O no hydrogen 2.465 N/A LYS 87.A N ASN 84.A O no hydrogen 3.121 N/A LYS 87.A NZ LEU 106.A O no hydrogen 2.857 N/A LYS 87.A NZ ASP 115.A OD1 no hydrogen 2.814 N/A LYS 87.A NZ ARG 117.A O no hydrogen 2.651 N/A LEU 88.A N ASN 119.A OD1 no hydrogen 2.557 N/A LEU 89.A N TYR 69.A O no hydrogen 2.750 N/A ILE 90.A N PHE 274.A O no hydrogen 2.812 N/A CYS 93.A N ASP 91.A OD1 no hydrogen 3.264 N/A ALA 94.A N ASP 91.A O no hydrogen 2.917 N/A ARG 95.A NH2 ALA 11.A O no hydrogen 2.724 N/A ASP 98.A N LYS 125.A O no hydrogen 2.647 N/A LEU 106.A N ASN 104.A OD1 no hydrogen 2.721 N/A LEU 107.A N ASN 104.A O no hydrogen 3.104 N/A HIS 111.A NE2 ASP 270.A OD1 no hydrogen 2.705 N/A ASP 115.A N ALA 109.A O no hydrogen 2.817 N/A ARG 117.A N ASP 115.A OD1 no hydrogen 2.981 N/A ARG 117.A NE ASP 115.A OD1 no hydrogen 3.028 N/A ARG 117.A NE ASP 115.A OD2 no hydrogen 3.087 N/A ARG 117.A NH2 ASP 115.A OD2 no hydrogen 2.799 N/A ASN 119.A ND2 LEU 88.A O no hydrogen 3.405 N/A ALA 120.A N ASP 118.A OD1 no hydrogen 3.070 N/A ILE 122.A N ASN 119.A O no hydrogen 3.033 N/A ALA 123.A N ALA 120.A O no hydrogen 3.480 N/A LYS 125.A N ASP 98.A O no hydrogen 2.857 N/A LYS 125.A NZ ALA 120.A O no hydrogen 2.435 N/A LYS 125.A NZ ALA 123.A O no hydrogen 3.523 N/A CYS 126.A N TYR 67.A O no hydrogen 2.828 N/A VAL 127.A N GLN 96.A O no hydrogen 2.984 N/A VAL 128.A N LEU 65.A O no hydrogen 2.994 N/A TYR 133.A N ASP 131.A OD2 no hydrogen 3.245 N/A TYR 133.A OH ASP 243.A OD1 no hydrogen 2.533 N/A GLU 136.A N ASP 134.A OD2 no hydrogen 3.032 N/A ASP 138.A N TRP 135.A O no hydrogen 3.103 N/A THR 143.A N GLU 254.A OE2 no hydrogen 3.149 N/A SER 147.A N PRO 144.A O no hydrogen 2.987 N/A THR 148.A N TRP 145.A O no hydrogen 3.511 N/A THR 148.A OG1 PRO 144.A O no hydrogen 3.019 N/A ILE 149.A N THR 191.A OG1 no hydrogen 2.902 N/A ILE 150.A N PRO 507.A O no hydrogen 2.930 N/A TYR 151.A N ALA 192.A O no hydrogen 2.842 N/A TYR 151.A OH GLU 514.A OE2 no hydrogen 2.597 N/A GLU 152.A N LEU 509.A O no hydrogen 2.969 N/A ALA 153.A N GLU 194.A O no hydrogen 2.853 N/A HIS 154.A NE2 TYR 215.A O no hydrogen 2.692 N/A LYS 156.A N HIS 154.A ND1 no hydrogen 2.990 N/A LYS 156.A NZ ASP 529.A OD1 no hydrogen 3.076 N/A LYS 156.A NZ ASP 529.A OD2 no hydrogen 2.811 N/A GLY 157.A N HIS 154.A ND1 no hydrogen 3.384 N/A LEU 158.A N HIS 154.A O no hydrogen 2.848 N/A THR 159.A N LYS 156.A O no hydrogen 3.299 N/A TYR 160.A N LYS 156.A O no hydrogen 2.894 N/A HIS 162.A N THR 159.A O no hydrogen 3.199 N/A ILE 165.A N HIS 162.A O no hydrogen 3.186 N/A ILE 169.A N PRO 166.A O no hydrogen 2.917 N/A ARG 170.A NH1 HIS 162.A O no hydrogen 3.096 N/A ARG 170.A NH1 ILE 165.A O no hydrogen 2.924 N/A GLY 171.A N THR 159.A OG1 no hydrogen 2.814 N/A THR 172.A N ILE 169.A O no hydrogen 3.275 N/A THR 172.A OG1 ILE 169.A O no hydrogen 2.692 N/A THR 172.A OG1 GLU 240.A OE2 no hydrogen 3.570 N/A TYR 173.A N TYR 230.A O no hydrogen 2.982 N/A TYR 173.A OH HIS 227.A O no hydrogen 2.565 N/A LYS 174.A N THR 172.A OG1 no hydrogen 3.272 N/A LYS 174.A N GLU 240.A OE2 no hydrogen 3.144 N/A ALA 175.A N THR 172.A O no hydrogen 3.140 N/A GLY 177.A N LYS 174.A O no hydrogen 3.232 N/A HIS 178.A N ALA 175.A O no hydrogen 2.961 N/A VAL 180.A N HIS 178.A ND1 no hydrogen 2.989 N/A ILE 182.A N HIS 178.A O no hydrogen 3.153 N/A ASN 183.A N PRO 179.A O no hydrogen 2.989 N/A TYR 184.A N VAL 180.A O no hydrogen 3.086 N/A TYR 184.A OH GLU 514.A OE2 no hydrogen 2.629 N/A LEU 185.A N MET 181.A O no hydrogen 2.802 N/A LYS 186.A N ILE 182.A O no hydrogen 2.986 N/A LYS 186.A NZ ALA 251.A O no hydrogen 3.008 N/A GLN 187.A N ASN 183.A O no hydrogen 2.799 N/A LEU 188.A N TYR 184.A O no hydrogen 2.816 N/A GLY 189.A N LEU 185.A O no hydrogen 3.015 N/A THR 191.A N ILE 149.A O no hydrogen 2.932 N/A THR 191.A OG1 ILE 149.A O no hydrogen 3.409 N/A ALA 192.A N ILE 149.A O no hydrogen 3.011 N/A LEU 193.A N GLU 254.A O no hydrogen 2.891 N/A GLU 194.A N TYR 151.A O no hydrogen 2.941 N/A LEU 195.A N ILE 256.A O no hydrogen 2.855 N/A LEU 196.A N ALA 153.A O no hydrogen 3.089 N/A GLN 200.A N ALA 225.A O no hydrogen 2.657 N/A PHE 201.A N HIS 227.A ND1 no hydrogen 3.139 N/A ALA 202.A N ASN 219.A O no hydrogen 3.079 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.455 N/A ARG 206.A NH1 TYR 526.A OH no hydrogen 2.883 N/A LEU 207.A N GLU 204.A O no hydrogen 3.043 N/A GLN 208.A N GLU 204.A O no hydrogen 3.185 N/A ARG 209.A N PRO 205.A O no hydrogen 3.021 N/A ARG 209.A NE ASP 103.A OD1 no hydrogen 2.411 N/A ARG 209.A NH1 ASP 103.A OD1 no hydrogen 3.189 N/A ARG 209.A NH1 ASP 103.A OD2 no hydrogen 2.902 N/A MET 210.A N LEU 207.A O no hydrogen 3.030 N/A GLY 211.A N GLN 208.A O no hydrogen 3.239 N/A LEU 212.A N LEU 207.A O no hydrogen 3.001 N/A ASN 214.A N SER 203.A OG no hydrogen 3.084 N/A ASN 214.A ND2 GLU 204.A OE1 no hydrogen 2.718 N/A TYR 215.A N TYR 526.A O no hydrogen 2.756 N/A TRP 216.A N TYR 526.A O no hydrogen 3.201 N/A GLY 217.A N ASN 214.A OD1 no hydrogen 2.890 N/A TYR 218.A OH ASP 258.A OD2 no hydrogen 2.691 N/A ASN 219.A ND2 ALA 202.A O no hydrogen 2.764 N/A VAL 221.A N GLN 200.A O no hydrogen 3.002 N/A ALA 222.A N GLN 200.A O no hydrogen 3.429 N/A ALA 225.A N ALA 222.A O no hydrogen 2.964 N/A HIS 227.A N VAL 198.A O no hydrogen 2.819 N/A ALA 231.A N PRO 228.A O no hydrogen 3.024 N/A CYS 232.A N GLU 240.A OE1 no hydrogen 2.726 N/A CYS 232.A N GLU 240.A OE2 no hydrogen 2.794 N/A CYS 232.A SG GLU 168.A O no hydrogen 3.249 N/A SER 233.A N GLU 240.A OE1 no hydrogen 2.773 N/A GLU 235.A N GLU 235.A OE2 no hydrogen 2.661 N/A THR 236.A N SER 233.A O no hydrogen 2.864 N/A ALA 237.A N PRO 234.A O no hydrogen 3.194 N/A PHE 241.A N ALA 237.A O no hydrogen 2.920 N/A ARG 242.A N LEU 238.A O no hydrogen 3.008 N/A ARG 242.A NE LEU 238.A O no hydrogen 3.234 N/A ARG 242.A NH1 ASP 131.A OD1 no hydrogen 2.694 N/A ARG 242.A NH1 ASP 131.A OD2 no hydrogen 3.217 N/A ARG 242.A NH1 THR 324.A O no hydrogen 3.229 N/A ARG 242.A NH2 ASP 131.A OD2 no hydrogen 2.845 N/A ARG 242.A NH2 ASP 239.A OD1 no hydrogen 2.725 N/A ASP 243.A N ASP 239.A O no hydrogen 3.028 N/A ASP 243.A N GLU 240.A O no hydrogen 3.187 N/A ALA 244.A N GLU 240.A O no hydrogen 3.175 N/A ILE 245.A N PHE 241.A O no hydrogen 2.930 N/A LYS 246.A N ARG 242.A O no hydrogen 3.004 N/A LYS 246.A NZ ASP 134.A O no hydrogen 2.693 N/A LYS 246.A NZ GLU 136.A OE2 no hydrogen 2.970 N/A ALA 247.A N ASP 243.A O no hydrogen 3.277 N/A LEU 248.A N ALA 244.A O no hydrogen 3.017 N/A HIS 249.A N ILE 245.A O no hydrogen 2.906 N/A HIS 249.A ND1 ILE 253.A O no hydrogen 3.265 N/A HIS 249.A NE2 HIS 326.A O no hydrogen 3.236 N/A LYS 250.A N LYS 246.A O no hydrogen 2.841 N/A LYS 250.A NZ ASP 137.A OD1 no hydrogen 3.427 N/A LYS 250.A NZ ASP 137.A OD2 no hydrogen 2.556 N/A ALA 251.A N ALA 247.A O no hydrogen 3.090 N/A ALA 251.A N LEU 248.A O no hydrogen 3.103 N/A GLY 252.A N HIS 249.A O no hydrogen 2.936 N/A ILE 253.A N LEU 248.A O no hydrogen 2.818 N/A GLU 254.A N THR 191.A O no hydrogen 2.783 N/A VAL 255.A N ASP 328.A OD2 no hydrogen 2.629 N/A ILE 256.A N LEU 193.A O no hydrogen 2.900 N/A LEU 257.A N GLY 329.A O no hydrogen 3.153 N/A ASP 258.A N LEU 195.A O no hydrogen 2.833 N/A ILE 259.A N ARG 331.A O no hydrogen 2.840 N/A ASN 262.A ND2 ASP 333.A O no hydrogen 2.706 N/A ASN 262.A ND2 ASP 333.A OD2 no hydrogen 2.824 N/A HIS 263.A ND1 ASN 262.A OD1 no hydrogen 2.599 N/A SER 264.A N ASN 301.A OD1 no hydrogen 3.080 N/A SER 264.A OG TYR 285.A OH no hydrogen 2.457 N/A ALA 265.A N PRO 220.A O no hydrogen 2.922 N/A GLU 266.A N SER 264.A OG no hydrogen 3.086 N/A LEU 267.A N SER 264.A O no hydrogen 3.330 N/A ASP 270.A N ASP 268.A OD1 no hydrogen 2.734 N/A GLY 271.A N ASP 268.A O no hydrogen 2.775 N/A LEU 273.A N LEU 107.A O no hydrogen 3.145 N/A PHE 274.A N GLU 266.A OE2 no hydrogen 2.918 N/A SER 275.A N GLU 266.A OE2 no hydrogen 2.778 N/A ARG 277.A N GLU 266.A OE1 no hydrogen 2.800 N/A ARG 277.A N GLU 266.A OE2 no hydrogen 3.232 N/A ARG 277.A NE TYR 293.A OH no hydrogen 2.569 N/A ARG 277.A NH1 GLU 266.A O no hydrogen 3.114 N/A ARG 277.A NH2 GLU 266.A O no hydrogen 2.831 N/A ARG 277.A NH2 TYR 293.A OH no hydrogen 3.118 N/A ILE 279.A N SER 275.A O no hydrogen 2.998 N/A ILE 279.A N LEU 276.A O no hydrogen 3.230 N/A ASP 280.A N LEU 276.A O no hydrogen 3.000 N/A ASN 281.A ND2 GLY 80.A O no hydrogen 2.950 N/A SER 283.A N ASP 280.A O no hydrogen 3.172 N/A SER 283.A N ASP 280.A OD1 no hydrogen 3.071 N/A SER 283.A OG HIS 26.A ND1 no hydrogen 3.345 N/A SER 283.A OG ASP 280.A OD1 no hydrogen 2.984 N/A SER 283.A OG ASP 280.A OD2 no hydrogen 2.572 N/A TYR 284.A N ASP 280.A O no hydrogen 3.035 N/A TYR 285.A N ASN 281.A O no hydrogen 3.194 N/A TYR 285.A OH SER 264.A OG no hydrogen 2.457 N/A TYR 285.A OH GLU 266.A OE1 no hydrogen 2.755 N/A TRP 286.A N THR 302.A O no hydrogen 2.962 N/A ARG 288.A N ASP 292.A O no hydrogen 2.982 N/A GLY 291.A N ARG 288.A O no hydrogen 3.020 N/A ASP 292.A N ASP 290.A OD1 no hydrogen 2.904 N/A TYR 293.A N ASP 292.A OD2 no hydrogen 2.617 N/A TYR 293.A OH ASN 281.A OD1 no hydrogen 2.704 N/A HIS 294.A N TRP 286.A O no hydrogen 2.953 N/A TRP 296.A N THR 302.A OG1 no hydrogen 3.107 N/A THR 297.A OG1 ASN 301.A O no hydrogen 2.702 N/A GLY 298.A N ASN 295.A O no hydrogen 3.327 N/A CYS 299.A N THR 297.A OG1 no hydrogen 3.201 N/A CYS 299.A SG THR 297.A O no hydrogen 3.516 N/A GLY 300.A N ASN 295.A OD1 no hydrogen 2.712 N/A ASN 301.A ND2 SER 264.A O no hydrogen 3.592 N/A ASN 301.A ND2 SER 264.A OG no hydrogen 3.388 N/A ASN 301.A ND2 LEU 267.A O no hydrogen 2.761 N/A THR 302.A OG1 HIS 294.A O no hydrogen 2.869 N/A LEU 303.A N ASN 262.A O no hydrogen 2.879 N/A ASN 304.A N TYR 284.A O no hydrogen 2.674 N/A SER 306.A N ASN 304.A OD1 no hydrogen 2.970 N/A SER 306.A OG ASN 304.A OD1 no hydrogen 2.490 N/A HIS 307.A N ASN 304.A O no hydrogen 3.252 N/A ALA 309.A N HIS 307.A ND1 no hydrogen 3.047 N/A VAL 311.A N HIS 307.A O no hydrogen 2.712 N/A ASP 312.A N PRO 308.A O no hydrogen 2.994 N/A TYR 313.A N ALA 309.A O no hydrogen 3.038 N/A TYR 313.A OH PRO 92.A O no hydrogen 3.345 N/A ALA 314.A N VAL 310.A O no hydrogen 2.675 N/A SER 315.A N VAL 311.A O no hydrogen 2.866 N/A SER 315.A OG VAL 311.A O no hydrogen 2.820 N/A SER 315.A OG ASP 312.A O no hydrogen 3.071 N/A ALA 316.A N ASP 312.A O no hydrogen 2.763 N/A CYS 317.A N TYR 313.A O no hydrogen 3.031 N/A CYS 317.A SG MET 223.A O no hydrogen 3.371 N/A LEU 318.A N ALA 314.A O no hydrogen 3.007 N/A ARG 319.A N SER 315.A O no hydrogen 2.999 N/A TYR 320.A N ALA 316.A O no hydrogen 2.931 N/A TRP 321.A N CYS 317.A O no hydrogen 3.247 N/A TRP 321.A NE1 MET 223.A O no hydrogen 3.043 N/A VAL 322.A N LEU 318.A O no hydrogen 3.343 N/A VAL 322.A N ARG 319.A O no hydrogen 3.152 N/A GLU 323.A N ARG 319.A O no hydrogen 2.782 N/A THR 324.A N TYR 320.A O no hydrogen 2.771 N/A CYS 325.A N TRP 321.A O no hydrogen 3.250 N/A HIS 326.A ND1 ASP 138.A OD1 no hydrogen 3.045 N/A VAL 327.A N TRP 321.A O no hydrogen 3.338 N/A ASP 328.A N VAL 255.A O no hydrogen 2.741 N/A PHE 330.A N LYS 364.A O no hydrogen 2.688 N/A ARG 331.A N LEU 257.A O no hydrogen 2.992 N/A ARG 331.A NH1 GLU 194.A OE2 no hydrogen 3.457 N/A PHE 332.A N ILE 366.A O no hydrogen 2.713 N/A ASP 333.A N ILE 259.A O no hydrogen 3.048 N/A LEU 334.A N GLU 368.A OE1 no hydrogen 2.769 N/A ALA 335.A N GLU 368.A O no hydrogen 2.963 N/A VAL 337.A N LEU 334.A O no hydrogen 3.323 N/A MET 338.A N ALA 335.A O no hydrogen 2.781 N/A GLY 339.A N ALA 336.A O no hydrogen 3.122 N/A ARG 340.A N VAL 337.A O no hydrogen 3.241 N/A ARG 340.A NE ASP 371.A OD2 no hydrogen 2.421 N/A ARG 340.A NH2 ASP 371.A OD1 no hydrogen 3.076 N/A ARG 340.A NH2 PRO 374.A O no hydrogen 3.348 N/A THR 341.A N GLU 343.A O no hydrogen 2.869 N/A THR 341.A OG1 GLU 343.A O no hydrogen 2.719 N/A ARG 345.A N GLY 339.A O no hydrogen 2.963 N/A ARG 345.A NH1 PHE 344.A O no hydrogen 2.917 N/A ALA 348.A N ARG 345.A O no hydrogen 3.011 N/A THR 352.A N ALA 348.A O no hydrogen 3.047 N/A THR 352.A OG1 PRO 349.A O no hydrogen 3.263 N/A ALA 353.A N PRO 349.A O no hydrogen 2.814 N/A ILE 354.A N LEU 350.A O no hydrogen 2.783 N/A GLN 355.A N PHE 351.A O no hydrogen 2.830 N/A ASN 356.A N THR 352.A O no hydrogen 2.887 N/A CYS 357.A N ILE 354.A O no hydrogen 3.266 N/A SER 361.A N CYS 357.A O no hydrogen 3.011 N/A SER 361.A OG CYS 357.A O no hydrogen 2.957 N/A SER 361.A OG PRO 358.A O no hydrogen 3.470 N/A GLN 362.A N VAL 359.A O no hydrogen 3.067 N/A GLN 362.A NE2 VAL 359.A O no hydrogen 2.735 N/A VAL 363.A N LEU 360.A O no hydrogen 3.283 N/A LYS 364.A N ASP 328.A O no hydrogen 2.982 N/A LYS 364.A NZ THR 143.A O no hydrogen 2.865 N/A LYS 364.A NZ GLU 254.A OE1 no hydrogen 2.858 N/A LYS 364.A NZ GLU 254.A OE2 no hydrogen 2.959 N/A ILE 366.A N PHE 330.A O no hydrogen 2.814 N/A ALA 367.A N ALA 387.A O no hydrogen 2.920 N/A GLU 368.A N PHE 332.A O no hydrogen 3.172 N/A TRP 370.A N GLU 368.A O no hydrogen 2.660 N/A ASP 371.A N GLY 376.A O no hydrogen 3.059 N/A ILE 372.A N TRP 296.A O no hydrogen 3.281 N/A ALA 373.A N ASP 371.A OD1 no hydrogen 2.897 N/A GLY 376.A N ALA 373.A O no hydrogen 2.813 N/A TYR 377.A OH HIS 392.A NE2 no hydrogen 2.427 N/A GLN 378.A N PRO 369.A O no hydrogen 3.285 N/A GLN 378.A NE2 GLY 375.A O no hydrogen 2.720 N/A GLY 380.A N GLU 388.A OE1 no hydrogen 2.530 N/A ASN 381.A N GLN 378.A O no hydrogen 2.900 N/A ASN 381.A ND2 GLN 378.A OE1 no hydrogen 2.649 N/A PHE 382.A N GLU 388.A OE2 no hydrogen 3.418 N/A PHE 386.A N PRO 383.A O no hydrogen 2.802 N/A ALA 387.A N LEU 365.A O no hydrogen 2.816 N/A GLU 388.A N ALA 431.A O no hydrogen 2.572 N/A TRP 389.A N ALA 367.A O no hydrogen 2.743 N/A ASN 390.A N ILE 433.A O no hydrogen 2.888 N/A ASN 390.A ND2 SER 418.A OG no hydrogen 2.982 N/A HIS 392.A NE2 TYR 377.A OH no hydrogen 2.427 N/A PHE 393.A N ASN 390.A O no hydrogen 2.992 N/A ARG 394.A NH1 ASP 391.A OD2 no hydrogen 2.871 N/A ARG 394.A NH1 ASP 440.A OD2 no hydrogen 3.295 N/A ARG 394.A NH2 ASP 440.A OD2 no hydrogen 2.941 N/A ASP 395.A N ASP 391.A O no hydrogen 3.236 N/A ALA 396.A N HIS 392.A O no hydrogen 2.892 N/A ALA 397.A N PHE 393.A O no hydrogen 2.870 N/A ARG 398.A N ARG 394.A O no hydrogen 3.208 N/A ARG 398.A NE VAL 436.A O no hydrogen 3.013 N/A ARG 398.A NH1 ASN 469.A O no hydrogen 3.058 N/A ARG 398.A NH2 VAL 436.A O no hydrogen 2.842 N/A ARG 399.A N ASP 395.A O no hydrogen 2.881 N/A ARG 399.A NE ASP 405.A OD2 no hydrogen 3.150 N/A ARG 399.A NH2 ASP 405.A OD2 no hydrogen 3.416 N/A PHE 400.A N ALA 396.A O no hydrogen 2.935 N/A TRP 401.A N ALA 397.A O no hydrogen 3.116 N/A TRP 401.A NE1 THR 499.A OG1 no hydrogen 2.773 N/A LEU 402.A N ARG 398.A O no hydrogen 2.685 N/A HIS 403.A N ARG 399.A O no hydrogen 3.020 N/A TYR 404.A N ARG 399.A O no hydrogen 2.880 N/A PHE 411.A N PRO 407.A O no hydrogen 3.301 N/A ALA 412.A N LEU 408.A O no hydrogen 3.137 N/A GLY 413.A N GLY 409.A O no hydrogen 2.986 N/A ARG 414.A N ALA 410.A O no hydrogen 3.044 N/A ARG 414.A NH1 SER 418.A OG no hydrogen 3.113 N/A PHE 415.A N PHE 411.A O no hydrogen 2.881 N/A ALA 416.A N ALA 412.A O no hydrogen 3.148 N/A ALA 416.A N GLY 413.A O no hydrogen 3.258 N/A SER 418.A N GLY 413.A O no hydrogen 3.149 N/A SER 419.A OG ASP 420.A OD1 no hydrogen 2.999 N/A VAL 421.A N SER 418.A O no hydrogen 2.828 N/A PHE 422.A N SER 418.A O no hydrogen 3.218 N/A LYS 423.A N SER 419.A O no hydrogen 2.683 N/A LYS 423.A NZ GLU 568.A OE2 no hydrogen 2.742 N/A ARG 424.A N PHE 422.A O no hydrogen 2.676 N/A ARG 424.A NE GLY 380.A O no hydrogen 3.389 N/A ARG 427.A N ARG 424.A O no hydrogen 3.091 N/A ARG 427.A NH1 PHE 386.A O no hydrogen 3.098 N/A ARG 427.A NH1 GLU 388.A OE2 no hydrogen 2.867 N/A ARG 427.A NH2 GLU 388.A OE2 no hydrogen 2.473 N/A SER 430.A N ASN 564.A OD1 no hydrogen 3.076 N/A ALA 431.A N LEU 428.A O no hydrogen 2.948 N/A ALA 432.A N PRO 429.A O no hydrogen 3.143 N/A ILE 433.A N GLU 388.A O no hydrogen 2.914 N/A ASN 434.A N THR 506.A O no hydrogen 2.843 N/A THR 437.A OG1 ASP 513.A OD2 no hydrogen 2.576 N/A HIS 439.A N GLU 152.A OE1 no hydrogen 2.764 N/A GLY 441.A N ASN 523.A O no hydrogen 2.739 N/A THR 443.A OG1 HIS 517.A O no hydrogen 2.874 N/A LEU 444.A N ASP 513.A OD1 no hydrogen 2.994 N/A ARG 445.A NH1 GLY 516.A O no hydrogen 2.861 N/A ASP 446.A N THR 443.A OG1 no hydrogen 3.300 N/A CYS 447.A N THR 443.A O no hydrogen 3.259 N/A CYS 447.A N LEU 444.A O no hydrogen 3.116 N/A CYS 447.A SG THR 443.A O no hydrogen 3.336 N/A VAL 448.A N ARG 445.A O no hydrogen 2.985 N/A CYS 449.A N ASP 446.A O no hydrogen 3.264 N/A CYS 449.A SG ARG 445.A O no hydrogen 3.447 N/A PHE 450.A N ASP 446.A O no hydrogen 2.949 N/A ASN 451.A N GLU 477.A OE1 no hydrogen 3.321 N/A ASN 451.A N GLU 477.A OE2 no hydrogen 2.864 N/A HIS 452.A N GLU 477.A OE1 no hydrogen 3.272 N/A LYS 453.A NZ ASN 462.A O no hydrogen 3.064 N/A LYS 453.A NZ ASP 464.A O no hydrogen 2.651 N/A LYS 453.A NZ GLY 465.A O no hydrogen 3.009 N/A LYS 453.A NZ ASN 467.A OD1 no hydrogen 3.001 N/A HIS 454.A N GLY 521.A O no hydrogen 2.762 N/A HIS 454.A NE2 GLU 477.A OE1 no hydrogen 2.681 N/A ASN 455.A ND2 ASP 464.A O no hydrogen 2.919 N/A ASN 455.A ND2 ASN 523.A OD1 no hydrogen 2.691 N/A ASN 458.A N ASN 455.A O no hydrogen 2.682 N/A ASN 458.A ND2 ASP 464.A OD2 no hydrogen 2.740 N/A ASN 458.A ND2 ASN 524.A O no hydrogen 2.959 N/A GLY 459.A N GLU 456.A O no hydrogen 3.081 N/A ARG 463.A N GLU 460.A O no hydrogen 3.270 N/A ARG 463.A NH1 GLU 461.A OE1 no hydrogen 2.526 N/A ARG 463.A NH2 GLU 461.A OE1 no hydrogen 2.700 N/A ASN 468.A N THR 466.A OG1 no hydrogen 3.139 N/A SER 471.A OG PHE 450.A O no hydrogen 2.610 N/A ASN 472.A N CYS 447.A O no hydrogen 2.890 N/A ASN 472.A ND2 LEU 402.A O no hydrogen 2.929 N/A ASN 473.A ND2 GLU 477.A OE2 no hydrogen 2.822 N/A HIS 474.A N ASN 472.A OD1 no hydrogen 2.809 N/A GLY 475.A N ASN 473.A OD1 no hydrogen 2.930 N/A LYS 476.A NZ GLU 477.A O no hydrogen 3.102 N/A LYS 476.A NZ LEU 479.A O no hydrogen 3.065 N/A GLY 478.A N CYS 449.A O no hydrogen 2.764 N/A LEU 485.A N SER 482.A OG no hydrogen 3.306 N/A VAL 486.A N SER 482.A O no hydrogen 3.014 N/A GLU 487.A N LEU 483.A O no hydrogen 2.886 N/A ARG 488.A N ASP 484.A O no hydrogen 2.742 N/A ARG 488.A NH1 ASP 484.A OD1 no hydrogen 2.690 N/A ARG 488.A NH2 ASP 491.A OD2 no hydrogen 3.087 N/A ARG 489.A N LEU 485.A O no hydrogen 3.209 N/A ARG 489.A NH1 VAL 448.A O no hydrogen 3.080 N/A ARG 489.A NH1 GLY 478.A O no hydrogen 3.556 N/A ARG 489.A NH2 GLY 478.A O no hydrogen 2.930 N/A ARG 490.A N VAL 486.A O no hydrogen 3.160 N/A ARG 490.A N GLU 487.A O no hydrogen 3.231 N/A ARG 490.A NH1 GLU 487.A OE2 no hydrogen 3.478 N/A ARG 490.A NH2 GLU 487.A OE2 no hydrogen 3.372 N/A ASP 491.A N GLU 487.A O no hydrogen 3.197 N/A SER 492.A OG HIS 647.A ND1 no hydrogen 2.971 N/A ILE 493.A N ARG 489.A O no hydrogen 2.833 N/A HIS 494.A N ARG 490.A O no hydrogen 2.980 N/A ALA 495.A N ASP 491.A O no hydrogen 3.027 N/A LEU 496.A N SER 492.A O no hydrogen 2.742 N/A LEU 497.A N ILE 493.A O no hydrogen 2.941 N/A THR 498.A N HIS 494.A O no hydrogen 2.956 N/A THR 498.A OG1 HIS 494.A O no hydrogen 2.780 N/A THR 499.A N ALA 495.A O no hydrogen 2.936 N/A THR 499.A OG1 ALA 495.A O no hydrogen 2.637 N/A LEU 500.A N LEU 496.A O no hydrogen 3.054 N/A LEU 501.A N LEU 497.A O no hydrogen 2.993 N/A LEU 502.A N THR 498.A O no hydrogen 2.943 N/A SER 503.A OG THR 499.A O no hydrogen 2.566 N/A GLN 504.A N PHE 415.A O no hydrogen 2.802 N/A GLN 504.A NE2 ARG 565.A O no hydrogen 3.054 N/A THR 506.A N ALA 432.A O no hydrogen 2.824 N/A THR 506.A OG1 SER 430.A O no hydrogen 2.914 N/A MET 508.A N ASN 434.A O no hydrogen 3.014 N/A LEU 509.A N ILE 150.A O no hydrogen 2.817 N/A ALA 511.A N GLU 152.A O no hydrogen 2.937 N/A ASP 513.A N LEU 510.A O no hydrogen 2.876 N/A GLU 514.A N GLU 514.A OE1 no hydrogen 2.610 N/A HIS 515.A N GLY 512.A O no hydrogen 3.251 N/A HIS 517.A N GLY 512.A O no hydrogen 2.774 N/A SER 518.A OG ASP 446.A OD1 no hydrogen 2.682 N/A SER 518.A OG ASP 446.A OD2 no hydrogen 3.396 N/A GLN 519.A N ASP 446.A OD2 no hydrogen 2.886 N/A HIS 520.A N SER 518.A OG no hydrogen 2.873 N/A GLY 521.A N ASP 446.A OD2 no hydrogen 3.149 N/A ASN 522.A N GLN 519.A O no hydrogen 3.156 N/A ASN 522.A ND2 ASN 458.A OD1 no hydrogen 3.011 N/A ASN 523.A N ASN 455.A OD1 no hydrogen 2.865 N/A ASN 523.A ND2 THR 466.A O no hydrogen 2.907 N/A ASN 524.A N ASN 522.A OD1 no hydrogen 2.806 N/A ASN 524.A ND2 ASP 464.A OD2 no hydrogen 3.039 N/A CYS 527.A SG ASN 458.A OD1 no hydrogen 3.478 N/A CYS 527.A SG GLN 528.A OE1 no hydrogen 3.791 N/A GLN 528.A N ALA 525.A O no hydrogen 3.188 N/A GLN 531.A N GLN 531.A OE1 no hydrogen 2.577 N/A THR 533.A N ASN 530.A O no hydrogen 3.278 N/A THR 533.A OG1 GLN 528.A O no hydrogen 3.367 N/A TRP 534.A N ASN 530.A O no hydrogen 3.106 N/A TRP 534.A NE1 ASP 529.A OD1 no hydrogen 2.711 N/A LEU 535.A N GLY 157.A O no hydrogen 2.950 N/A TRP 537.A NE1 LEU 158.A O no hydrogen 2.919 N/A SER 538.A OG ASP 536.A OD1 no hydrogen 3.019 N/A GLN 539.A N ASP 536.A O no hydrogen 3.210 N/A ALA 540.A N TRP 537.A O no hydrogen 2.852 N/A SER 541.A N HIS 515.A O no hydrogen 3.030 N/A LEU 544.A N SER 541.A OG no hydrogen 3.227 N/A THR 545.A N SER 541.A O no hydrogen 3.189 N/A THR 545.A OG1 SER 541.A O no hydrogen 2.740 N/A ALA 546.A N SER 542.A O no hydrogen 3.056 N/A PHE 547.A N GLY 543.A O no hydrogen 2.910 N/A THR 548.A N LEU 544.A O no hydrogen 2.754 N/A THR 548.A OG1 LEU 544.A O no hydrogen 2.835 N/A ALA 549.A N THR 545.A O no hydrogen 2.766 N/A ALA 550.A N ALA 546.A O no hydrogen 2.897 N/A LEU 551.A N PHE 547.A O no hydrogen 3.360 N/A ILE 552.A N THR 548.A O no hydrogen 3.089 N/A HIS 553.A N ALA 549.A O no hydrogen 3.078 N/A HIS 553.A ND1 ALA 549.A O no hydrogen 2.607 N/A LEU 554.A N ALA 550.A O no hydrogen 2.842 N/A ARG 555.A N LEU 551.A O no hydrogen 3.021 N/A ARG 555.A NH1 LEU 561.A O no hydrogen 2.966 N/A LYS 556.A NZ GLY 189.A O no hydrogen 2.962 N/A ARG 557.A N LEU 554.A O no hydrogen 2.722 N/A ILE 558.A N ARG 555.A O no hydrogen 2.889 N/A ALA 560.A N SER 601.A OG no hydrogen 3.051 N/A LEU 561.A N ILE 558.A O no hydrogen 3.003 N/A VAL 562.A N ILE 558.A O no hydrogen 3.343 N/A GLU 563.A N PRO 559.A O no hydrogen 3.177 N/A ASN 564.A ND2 SER 430.A OG no hydrogen 2.798 N/A TRP 566.A NE1 ARG 427.A O no hydrogen 2.811 N/A TRP 567.A NE1 ALA 560.A O no hydrogen 3.041 N/A GLU 568.A N ASP 571.A OD2 no hydrogen 2.354 N/A ASP 571.A N GLU 568.A O no hydrogen 2.713 N/A ASN 573.A N ASP 571.A OD1 no hydrogen 2.779 N/A ASN 573.A ND2 ASP 571.A OD2 no hydrogen 3.097 N/A ARG 575.A N LEU 599.A O no hydrogen 3.231 N/A LEU 577.A N GLN 597.A O no hydrogen 3.060 N/A ASN 578.A N GLN 582.A O no hydrogen 2.634 N/A ASN 578.A ND2 GLU 588.A OE2 no hydrogen 2.943 N/A TYR 580.A N ASN 578.A OD1 no hydrogen 2.423 N/A ALA 581.A N ASN 578.A O no hydrogen 3.016 N/A GLN 582.A N ASN 578.A OD1 no hydrogen 3.159 N/A LEU 584.A N TRP 576.A O no hydrogen 3.469 N/A SER 585.A N GLU 588.A OE1 no hydrogen 2.667 N/A SER 585.A OG GLU 588.A OE1 no hydrogen 2.842 N/A TRP 589.A N SER 585.A O no hydrogen 3.395 N/A TRP 589.A N THR 586.A O no hydrogen 3.306 N/A GLN 590.A N ASP 587.A O no hydrogen 2.506 N/A ASN 591.A N ASP 587.A O no hydrogen 3.152 N/A ASN 591.A ND2 ASP 587.A O no hydrogen 3.549 N/A GLY 592.A N GLU 588.A O no hydrogen 3.271 N/A LYS 594.A NZ LEU 406.A O no hydrogen 2.966 N/A GLN 595.A N PRO 593.A O no hydrogen 2.732 N/A LEU 596.A N ILE 608.A O no hydrogen 3.159 N/A GLN 597.A N LEU 577.A O no hydrogen 2.762 N/A GLN 597.A NE2 ASN 578.A O no hydrogen 2.972 N/A GLN 597.A NE2 VAL 618.A O no hydrogen 2.909 N/A ILE 598.A N ILE 606.A O no hydrogen 2.802 N/A LEU 599.A N ARG 575.A O no hydrogen 3.384 N/A LEU 600.A N PHE 604.A O no hydrogen 2.802 N/A SER 601.A N ASN 573.A O no hydrogen 2.948 N/A ARG 603.A N LEU 600.A O no hydrogen 3.167 N/A PHE 604.A N LEU 600.A O no hydrogen 3.253 N/A LEU 605.A N PHE 652.A O no hydrogen 2.891 N/A ILE 606.A N ILE 598.A O no hydrogen 2.860 N/A ALA 607.A N CYS 650.A O no hydrogen 2.888 N/A ILE 608.A N LEU 596.A O no hydrogen 2.786 N/A ASN 609.A N GLY 648.A O no hydrogen 3.031 N/A ASN 609.A ND2 THR 611.A OG1 no hydrogen 2.724 N/A ALA 610.A N LYS 594.A O no hydrogen 2.823 N/A THR 615.A N GLY 644.A O no hydrogen 2.992 N/A ILE 617.A N TRP 642.A O no hydrogen 2.910 N/A VAL 618.A N ARG 579.A O no hydrogen 2.900 N/A LEU 619.A N ALA 640.A O no hydrogen 2.982 N/A TRP 624.A NE1 ALA 621.A O no hydrogen 3.154 N/A HIS 625.A N GLN 653.A O no hydrogen 2.979 N/A ILE 627.A N VAL 651.A O no hydrogen 3.193 N/A PHE 630.A N ILE 627.A O no hydrogen 3.015 N/A THR 639.A N TRP 624.A O no hydrogen 2.824 N/A TRP 642.A N ILE 617.A O no hydrogen 2.744 N/A GLN 643.A NE2 GLU 616.A OE2 no hydrogen 3.391 N/A GLY 644.A N THR 615.A O no hydrogen 2.754 N/A HIS 647.A N THR 611.A O no hydrogen 2.835 N/A HIS 647.A ND1 HIS 647.A O no hydrogen 2.726 N/A GLY 648.A N ASN 609.A O no hydrogen 3.213 N/A CYS 650.A N ALA 607.A O no hydrogen 3.133 N/A CYS 650.A SG VAL 651.A O no hydrogen 4.035 N/A PHE 652.A N LEU 605.A O no hydrogen 2.705 N/A GLN 653.A N HIS 625.A O no hydrogen 2.911 N/A ARG 654.A N ARG 603.A O no hydrogen 2.905 N/A