Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nut_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 4.A OE1 no hydrogen 3.369 N/A PHE 5.A N THR 1.A O no hydrogen 2.982 N/A ILE 6.A N TYR 2.A O no hydrogen 3.109 N/A GLN 7.A N LEU 3.A O no hydrogen 2.956 N/A GLN 8.A N GLU 4.A O no hydrogen 2.880 N/A ASN 9.A N PHE 5.A O no hydrogen 3.123 N/A GLU 10.A N ILE 6.A O no hydrogen 3.165 N/A GLU 10.A N GLN 7.A O no hydrogen 3.208 N/A GLU 11.A N GLN 7.A O no hydrogen 3.032 N/A ARG 12.A N GLN 8.A O no hydrogen 3.060 N/A ARG 12.A NH1 ASP 13.A OD2 no hydrogen 3.223 N/A ASP 13.A N ASN 9.A O no hydrogen 2.920 N/A GLY 14.A N GLU 10.A O no hydrogen 2.773 N/A ARG 16.A N LEU 39.A O no hydrogen 3.035 N/A ARG 16.A NE ASP 487.A OD2 no hydrogen 3.133 N/A ARG 16.A NH1 GLU 10.A OE1 no hydrogen 3.143 N/A ARG 16.A NH2 ASP 487.A OD1 no hydrogen 2.993 N/A ARG 16.A NH2 ASP 487.A OD2 no hydrogen 3.348 N/A ARG 16.A NH2 GLU 489.A OE1 no hydrogen 2.925 N/A SER 18.A N ALA 37.A O no hydrogen 2.942 N/A SER 18.A OG PRO 35.A O no hydrogen 2.749 N/A SER 18.A OG ALA 37.A O no hydrogen 3.329 N/A TRP 19.A NE1 VAL 34.A O no hydrogen 2.746 N/A ASN 20.A N SER 485.A O no hydrogen 3.010 N/A ASN 20.A ND2 SER 485.A O no hydrogen 3.623 N/A TRP 22.A N ASN 471.A O no hydrogen 3.169 N/A TRP 22.A NE1 TRP 19.A O no hydrogen 2.868 N/A SER 24.A OG ALA 473.A O no hydrogen 2.924 N/A GLU 28.A N SER 25.A O no hydrogen 3.320 N/A ALA 29.A N SER 25.A O no hydrogen 2.969 N/A THR 30.A N ARG 26.A O no hydrogen 3.323 N/A THR 30.A OG1 ARG 26.A O no hydrogen 3.232 N/A ARG 31.A N GLU 28.A O no hydrogen 2.918 N/A ALA 37.A N SER 18.A OG no hydrogen 2.935 N/A ALA 38.A N ILE 438.A O no hydrogen 2.975 N/A LEU 39.A N ARG 16.A O no hydrogen 2.793 N/A PHE 40.A N LEU 436.A O no hydrogen 2.739 N/A THR 41.A N GLY 14.A O no hydrogen 2.820 N/A THR 41.A OG1 THR 435.A OG1 no hydrogen 2.557 N/A LYS 44.A N THR 41.A O no hydrogen 3.249 N/A ASP 48.A N ARG 46.A O no hydrogen 2.754 N/A ILE 52.A N GLU 116.A O no hydrogen 2.810 N/A TYR 54.A N ILE 52.A O no hydrogen 2.751 N/A CYS 59.A N ALA 66.A O no hydrogen 2.830 N/A CYS 59.A SG ASN 90.A OD1 no hydrogen 3.492 N/A SER 60.A N ASN 90.A OD1 no hydrogen 2.540 N/A SER 60.A OG ASN 90.A OD1 no hydrogen 2.395 N/A ARG 61.A NE GLN 88.A OE1 no hydrogen 2.956 N/A CYS 64.A N ARG 61.A O no hydrogen 2.700 N/A VAL 67.A N GLN 449.A OE1 no hydrogen 2.819 N/A LEU 68.A N VAL 57.A O no hydrogen 3.065 N/A ASN 69.A ND2 VAL 67.A O no hydrogen 2.986 N/A ASN 69.A ND2 ASN 84.A OD1 no hydrogen 3.051 N/A LEU 71.A N ASN 69.A OD1 no hydrogen 2.724 N/A CYS 72.A N ASN 69.A O no hydrogen 3.072 N/A CYS 72.A SG ASN 84.A OD1 no hydrogen 3.112 N/A GLN 73.A N ALA 82.A O no hydrogen 3.271 N/A ARG 77.A N ASP 75.A OD1 no hydrogen 2.927 N/A ALA 78.A N ASP 75.A OD1 no hydrogen 2.894 N/A LYS 79.A NZ TYR 76.A O no hydrogen 3.246 N/A LEU 80.A N ASP 75.A O no hydrogen 3.394 N/A TRP 81.A N ASN 90.A O no hydrogen 3.093 N/A ALA 82.A N GLN 73.A O no hydrogen 2.642 N/A CYS 83.A N GLN 88.A O no hydrogen 2.858 N/A GLN 88.A NE2 ARG 89.A O no hydrogen 2.897 N/A ASN 90.A N TRP 81.A O no hydrogen 2.753 N/A ASN 90.A ND2 TRP 81.A O no hydrogen 3.505 N/A PHE 92.A N LYS 79.A O no hydrogen 3.461 N/A TYR 96.A N PRO 93.A O no hydrogen 2.832 N/A TYR 96.A OH GLU 107.A OE1 no hydrogen 2.729 N/A ALA 97.A N PRO 94.A O no hydrogen 2.869 N/A ILE 99.A N TYR 96.A O no hydrogen 3.033 N/A SER 100.A N ASN 103.A O no hydrogen 3.147 N/A ASN 103.A N SER 100.A O no hydrogen 3.397 N/A GLU 107.A N GLU 107.A OE2 no hydrogen 2.574 N/A LEU 108.A N PRO 105.A O no hydrogen 2.927 N/A LEU 109.A N ALA 106.A O no hydrogen 3.125 N/A PHE 112.A N LEU 109.A O no hydrogen 2.719 N/A SER 113.A OG ASP 13.A OD1 no hydrogen 2.980 N/A SER 113.A OG ASP 13.A OD2 no hydrogen 3.526 N/A SER 114.A OG ARG 12.A O no hydrogen 3.253 N/A SER 114.A OG THR 466.A OG1 no hydrogen 2.976 N/A ILE 115.A N VAL 465.A O no hydrogen 2.576 N/A TYR 117.A N ILE 463.A O no hydrogen 2.722 N/A VAL 118.A N ILE 52.A O no hydrogen 3.108 N/A VAL 119.A N ARG 461.A O no hydrogen 3.033 N/A PHE 129.A N LEU 161.A O no hydrogen 2.800 N/A LEU 130.A N ARG 264.A O no hydrogen 2.846 N/A TYR 131.A N GLY 163.A O no hydrogen 2.955 N/A TYR 131.A OH SER 152.A OG no hydrogen 2.717 N/A VAL 132.A N MET 266.A O no hydrogen 2.849 N/A VAL 133.A N ILE 165.A O no hydrogen 2.769 N/A ASP 134.A N PHE 268.A O no hydrogen 3.032 N/A THR 135.A N PHE 167.A O no hydrogen 2.947 N/A THR 135.A OG1 PHE 167.A O no hydrogen 2.819 N/A CYS 136.A N ASP 134.A OD1 no hydrogen 2.816 N/A CYS 136.A SG ASP 229.A OD1 no hydrogen 3.899 N/A CYS 136.A SG LEU 240.A O no hydrogen 3.859 N/A LEU 142.A N GLU 138.A O no hydrogen 2.935 N/A GLN 143.A N ASP 139.A O no hydrogen 2.793 N/A ALA 144.A N GLU 140.A O no hydrogen 3.187 N/A LEU 145.A N ASP 141.A O no hydrogen 2.906 N/A LYS 146.A N LEU 142.A O no hydrogen 2.758 N/A LYS 146.A NZ GLN 143.A OE1 no hydrogen 3.395 N/A LYS 146.A NZ GLY 224.A O no hydrogen 2.640 N/A LYS 146.A NZ LEU 226.A O no hydrogen 2.800 N/A GLU 147.A N GLN 143.A O no hydrogen 3.018 N/A SER 148.A N ALA 144.A O no hydrogen 3.114 N/A SER 148.A OG ALA 144.A O no hydrogen 3.247 N/A MET 149.A N LEU 145.A O no hydrogen 3.048 N/A GLN 150.A N LYS 146.A O no hydrogen 3.021 N/A GLN 150.A NE2 THR 220.A O no hydrogen 2.808 N/A MET 151.A N GLU 147.A O no hydrogen 2.983 N/A SER 152.A N SER 148.A O no hydrogen 3.077 N/A SER 152.A OG TYR 131.A OH no hydrogen 2.717 N/A SER 152.A OG MET 149.A O no hydrogen 2.739 N/A LEU 153.A N MET 149.A O no hydrogen 3.101 N/A LEU 153.A N GLN 150.A O no hydrogen 3.097 N/A SER 154.A N MET 151.A O no hydrogen 2.866 N/A SER 154.A OG MET 151.A O no hydrogen 2.637 N/A LEU 155.A N SER 152.A O no hydrogen 3.112 N/A ALA 160.A N PRO 157.A O no hydrogen 2.886 N/A LEU 161.A N LEU 127.A O no hydrogen 2.880 N/A VAL 162.A N GLN 210.A O no hydrogen 2.978 N/A GLY 163.A N PHE 129.A O no hydrogen 3.046 N/A ILE 165.A N TYR 131.A O no hydrogen 2.802 N/A THR 166.A N GLN 172.A O no hydrogen 2.928 N/A THR 166.A OG1 HIS 174.A NE2 no hydrogen 2.768 N/A PHE 167.A N VAL 133.A O no hydrogen 2.882 N/A GLY 168.A N MET 170.A O no hydrogen 3.042 N/A ARG 169.A N ASP 229.A OD2 no hydrogen 3.502 N/A VAL 171.A N PHE 187.A O no hydrogen 2.937 N/A GLN 172.A N THR 166.A O no hydrogen 2.746 N/A VAL 173.A N TYR 185.A O no hydrogen 2.930 N/A HIS 174.A N LEU 164.A O no hydrogen 3.046 N/A HIS 174.A NE2 THR 166.A OG1 no hydrogen 2.768 N/A GLU 175.A N LYS 183.A O no hydrogen 2.794 N/A CYS 178.A SG GLU 175.A OE2 no hydrogen 3.537 N/A SER 182.A OG ILE 181.A O no hydrogen 2.617 N/A SER 182.A OG SER 182.A O no hydrogen 2.407 N/A SER 184.A OG GLN 172.A OE1 no hydrogen 2.964 N/A TYR 185.A N VAL 173.A O no hydrogen 2.853 N/A PHE 187.A N VAL 171.A O no hydrogen 2.838 N/A LEU 193.A N ASP 192.A OD1 no hydrogen 2.596 N/A SER 194.A N GLN 197.A OE1 no hydrogen 2.657 N/A SER 194.A OG GLN 197.A OE1 no hydrogen 3.024 N/A ALA 195.A N SER 194.A OG no hydrogen 2.672 N/A LYS 196.A N SER 194.A OG no hydrogen 3.212 N/A GLN 197.A N SER 194.A OG no hydrogen 2.946 N/A GLN 199.A N ALA 195.A O no hydrogen 2.832 N/A GLU 200.A N LYS 196.A O no hydrogen 2.918 N/A MET 201.A N GLN 197.A O no hydrogen 2.846 N/A LEU 202.A N LEU 198.A O no hydrogen 2.925 N/A GLY 203.A N GLN 199.A O no hydrogen 2.994 N/A ASN 206.A N LEU 209.A O no hydrogen 3.083 N/A ARG 207.A NE GLU 175.A OE1 no hydrogen 3.106 N/A ARG 207.A NH1 LEU 202.A O no hydrogen 3.264 N/A ARG 207.A NH2 GLU 175.A OE1 no hydrogen 3.378 N/A ARG 207.A NH2 LEU 202.A O no hydrogen 3.152 N/A GLN 210.A N VAL 162.A O no hydrogen 3.190 N/A VAL 212.A N ALA 160.A O no hydrogen 2.665 N/A GLN 213.A N PRO 158.A O no hydrogen 3.017 N/A LYS 214.A N PRO 211.A O no hydrogen 3.167 N/A ILE 215.A N PRO 211.A O no hydrogen 3.046 N/A ASP 216.A N VAL 212.A O no hydrogen 2.632 N/A LEU 219.A N ILE 215.A O no hydrogen 3.090 N/A THR 220.A N ASP 216.A O no hydrogen 2.978 N/A THR 220.A OG1 ASP 216.A O no hydrogen 2.819 N/A ASP 221.A N MET 217.A O no hydrogen 3.235 N/A LEU 222.A N ASN 218.A O no hydrogen 2.934 N/A LEU 223.A N LEU 219.A O no hydrogen 2.699 N/A GLY 224.A N THR 220.A O no hydrogen 2.903 N/A GLU 225.A N ASP 221.A O no hydrogen 2.943 N/A GLU 225.A N LEU 222.A O no hydrogen 2.955 N/A ARG 228.A NE MET 137.A O no hydrogen 2.983 N/A ASP 229.A N THR 135.A O no hydrogen 3.086 N/A LYS 237.A N PRO 234.A O no hydrogen 3.186 N/A LYS 237.A NZ ASP 283.A OD1 no hydrogen 3.488 N/A LYS 237.A NZ ASP 283.A OD2 no hydrogen 3.169 N/A ARG 238.A N ASP 283.A O no hydrogen 2.748 N/A ARG 241.A N THR 274.A OG1 no hydrogen 2.795 N/A ARG 241.A NE PRO 272.A O no hydrogen 2.676 N/A ARG 241.A NH1 ASP 134.A OD2 no hydrogen 3.312 N/A ARG 241.A NH2 PRO 272.A O no hydrogen 3.105 N/A SER 242.A N GLY 168.A O no hydrogen 2.981 N/A SER 242.A OG GLY 168.A O no hydrogen 3.148 N/A SER 242.A OG ARG 169.A O no hydrogen 2.991 N/A ALA 246.A N SER 242.A O no hydrogen 2.999 N/A LEU 247.A N SER 243.A O no hydrogen 3.024 N/A SER 248.A N GLY 244.A O no hydrogen 2.994 N/A SER 248.A OG ASP 192.A OD1 no hydrogen 2.776 N/A SER 248.A OG VAL 245.A O no hydrogen 3.105 N/A ILE 249.A N VAL 245.A O no hydrogen 2.920 N/A ALA 250.A N ALA 246.A O no hydrogen 2.989 N/A VAL 251.A N LEU 247.A O no hydrogen 2.926 N/A GLY 252.A N SER 248.A O no hydrogen 2.816 N/A LEU 253.A N ILE 249.A O no hydrogen 2.804 N/A LEU 254.A N ALA 250.A O no hydrogen 3.196 N/A GLU 255.A N VAL 251.A O no hydrogen 2.984 N/A CYS 256.A N GLY 252.A O no hydrogen 3.163 N/A CYS 256.A SG GLY 252.A O no hydrogen 3.622 N/A CYS 256.A SG LEU 253.A O no hydrogen 3.468 N/A THR 257.A N LEU 254.A O no hydrogen 3.159 N/A THR 257.A OG1 LEU 253.A O no hydrogen 2.691 N/A THR 257.A OG1 LEU 254.A O no hydrogen 3.213 N/A PHE 258.A N LEU 254.A O no hydrogen 2.846 N/A ASN 260.A N THR 320.A O no hydrogen 2.871 N/A THR 261.A OG1 PRO 259.A O no hydrogen 3.415 N/A ARG 264.A N ILE 128.A O no hydrogen 2.691 N/A ARG 264.A NE ASP 325.A OD2 no hydrogen 2.760 N/A ARG 264.A NH2 ASP 325.A OD1 no hydrogen 3.108 N/A ARG 264.A NH2 ASP 325.A OD2 no hydrogen 3.337 N/A ILE 265.A N VAL 323.A O no hydrogen 2.877 N/A MET 266.A N LEU 130.A O no hydrogen 2.961 N/A MET 267.A N ASP 325.A O no hydrogen 2.871 N/A PHE 268.A N VAL 132.A O no hydrogen 2.879 N/A ILE 269.A N TYR 327.A O no hydrogen 2.873 N/A GLY 270.A N ASP 134.A OD2 no hydrogen 2.936 N/A THR 274.A N ARG 241.A O no hydrogen 2.969 N/A THR 274.A OG1 PRO 239.A O no hydrogen 2.755 N/A GLN 275.A NE2 ARG 169.A O no hydrogen 3.513 N/A VAL 280.A N ALA 273.A O no hydrogen 2.864 N/A LEU 285.A N GLY 236.A O no hydrogen 2.819 N/A THR 287.A N GLU 284.A O no hydrogen 3.047 N/A ARG 290.A NE GLU 338.A OE2 no hydrogen 2.904 N/A ARG 290.A NH1 ARG 290.A O no hydrogen 2.992 N/A ARG 290.A NH1 GLN 333.A OE1 no hydrogen 2.992 N/A ARG 290.A NH2 GLU 338.A OE1 no hydrogen 2.708 N/A ARG 290.A NH2 GLU 338.A OE2 no hydrogen 3.113 N/A ARG 290.A NH2 ASP 564.A OD1 no hydrogen 3.001 N/A SER 291.A N ASP 294.A OD2 no hydrogen 3.237 N/A TRP 292.A NE1 SER 566.A OG no hydrogen 2.923 N/A ASP 294.A N SER 291.A OG no hydrogen 2.928 N/A ILE 295.A N SER 291.A O no hydrogen 3.004 N/A ASP 296.A N TRP 292.A O no hydrogen 2.969 N/A LYS 297.A N HIS 293.A O no hydrogen 3.120 N/A LYS 297.A NZ HIS 293.A NE2 no hydrogen 3.378 N/A ASP 298.A N ILE 295.A O no hydrogen 3.381 N/A ASN 299.A N ASP 294.A O no hydrogen 2.710 N/A GLY 306.A N TYR 302.A O no hydrogen 3.029 N/A THR 307.A N VAL 303.A O no hydrogen 2.841 N/A THR 307.A OG1 VAL 303.A O no hydrogen 2.586 N/A LYS 308.A N LYS 304.A O no hydrogen 2.974 N/A HIS 309.A N LYS 305.A O no hydrogen 3.197 N/A HIS 309.A NE2 GLY 244.A O no hydrogen 3.127 N/A PHE 310.A N GLY 306.A O no hydrogen 3.319 N/A GLU 311.A N THR 307.A O no hydrogen 3.028 N/A ALA 312.A N LYS 308.A O no hydrogen 3.164 N/A LEU 313.A N HIS 309.A O no hydrogen 3.244 N/A ALA 314.A N PHE 310.A O no hydrogen 2.759 N/A ASN 315.A N GLU 311.A O no hydrogen 3.109 N/A ARG 316.A N ALA 312.A O no hydrogen 2.953 N/A ARG 316.A NE GLU 255.A OE1 no hydrogen 3.469 N/A ARG 316.A NH2 GLU 255.A OE1 no hydrogen 3.331 N/A ALA 317.A N LEU 313.A O no hydrogen 2.825 N/A ALA 318.A N ALA 314.A O no hydrogen 2.745 N/A THR 319.A N ASN 315.A O no hydrogen 2.931 N/A THR 319.A OG1 ASN 315.A O no hydrogen 2.568 N/A THR 320.A N ARG 316.A O no hydrogen 3.064 N/A THR 320.A OG1 ARG 316.A O no hydrogen 2.994 N/A GLY 321.A N ALA 318.A O no hydrogen 3.304 N/A HIS 322.A N ALA 317.A O no hydrogen 2.933 N/A HIS 322.A NE2 PHE 258.A O no hydrogen 2.825 N/A VAL 323.A N ALA 263.A O no hydrogen 3.137 N/A ILE 324.A N THR 346.A OG1 no hydrogen 3.172 N/A ASP 325.A N ILE 265.A O no hydrogen 2.688 N/A ILE 326.A N TYR 349.A O no hydrogen 2.938 N/A TYR 327.A N MET 267.A O no hydrogen 2.629 N/A TYR 327.A OH ASP 325.A OD2 no hydrogen 2.995 N/A ALA 328.A N VAL 351.A O no hydrogen 2.783 N/A CYS 329.A N ILE 269.A O no hydrogen 3.072 N/A ALA 330.A N GLY 353.A O no hydrogen 3.487 N/A GLN 333.A NE2 ARG 290.A O no hydrogen 3.018 N/A THR 334.A N ASP 564.A OD2 no hydrogen 2.721 N/A GLY 335.A N ASP 564.A OD2 no hydrogen 2.736 N/A LEU 336.A N ASP 564.A OD2 no hydrogen 3.182 N/A LEU 337.A N ASP 564.A OD1 no hydrogen 3.235 N/A MET 339.A N GLY 335.A O no hydrogen 3.195 N/A CYS 342.A N MET 339.A O no hydrogen 3.037 N/A CYS 342.A SG PHE 310.A O no hydrogen 3.511 N/A ASN 344.A N LYS 340.A O no hydrogen 2.876 N/A LEU 345.A N CYS 341.A O no hydrogen 2.645 N/A THR 346.A N CYS 342.A O no hydrogen 3.175 N/A THR 346.A OG1 CYS 342.A O no hydrogen 2.693 N/A GLY 348.A N THR 346.A OG1 no hydrogen 3.205 N/A TYR 349.A N ASP 325.A OD1 no hydrogen 3.099 N/A VAL 351.A N ILE 326.A O no hydrogen 2.984 N/A GLY 353.A N ALA 328.A O no hydrogen 3.070 N/A SER 355.A OG ASP 141.A OD2 no hydrogen 2.355 N/A ASN 357.A N SER 355.A OG no hydrogen 2.990 N/A THR 358.A OG1 SER 355.A O no hydrogen 3.005 N/A PHE 361.A N THR 358.A OG1 no hydrogen 3.333 N/A LYS 362.A N THR 358.A O no hydrogen 3.222 N/A LYS 362.A NZ ASN 357.A OD1 no hydrogen 3.155 N/A GLN 363.A N SER 359.A O no hydrogen 2.819 N/A THR 364.A N LEU 360.A O no hydrogen 2.976 N/A THR 364.A OG1 LEU 360.A O no hydrogen 2.922 N/A PHE 365.A N PHE 361.A O no hydrogen 2.718 N/A GLN 366.A N LYS 362.A O no hydrogen 3.037 N/A ARG 367.A N GLN 363.A O no hydrogen 3.029 N/A ARG 367.A N THR 364.A O no hydrogen 3.176 N/A ARG 367.A NH1 HIS 663.A ND1 no hydrogen 3.310 N/A ARG 367.A NH2 HIS 663.A ND1 no hydrogen 2.729 N/A VAL 368.A N THR 364.A O no hydrogen 3.396 N/A VAL 368.A N PHE 365.A O no hydrogen 3.270 N/A PHE 369.A N GLN 366.A O no hydrogen 3.231 N/A THR 370.A N ARG 367.A O no hydrogen 2.898 N/A THR 370.A OG1 ARG 367.A O no hydrogen 2.789 N/A LYS 371.A NZ LEU 155.A O no hydrogen 2.972 N/A ASP 372.A N GLN 376.A O no hydrogen 2.908 N/A HIS 374.A N ASP 372.A OD1 no hydrogen 2.697 N/A GLY 375.A N ASP 372.A O no hydrogen 3.137 N/A GLN 376.A N ASP 372.A OD1 no hydrogen 3.395 N/A GLY 380.A N LEU 430.A O no hydrogen 2.819 N/A PHE 381.A N GLN 455.A O no hydrogen 2.754 N/A GLY 382.A N CYS 428.A O no hydrogen 2.879 N/A GLY 383.A N ILE 427.A O no hydrogen 2.735 N/A THR 384.A N GLN 453.A O no hydrogen 2.719 N/A LEU 385.A N TRP 425.A O no hydrogen 2.762 N/A GLU 386.A N VAL 451.A O no hydrogen 2.866 N/A ILE 387.A N CYS 423.A O no hydrogen 3.015 N/A LYS 388.A N GLN 449.A O no hydrogen 2.965 N/A LYS 388.A NZ CYS 64.A O no hydrogen 2.907 N/A THR 389.A OG1 SER 390.A O no hydrogen 3.326 N/A THR 389.A OG1 ILE 393.A O no hydrogen 2.560 N/A SER 390.A N ALA 447.A O no hydrogen 3.230 N/A SER 390.A OG ALA 447.A O no hydrogen 3.490 N/A ILE 393.A N SER 390.A O no hydrogen 2.843 N/A LYS 394.A N GLU 441.A O no hydrogen 2.728 N/A ILE 395.A N CYS 411.A O no hydrogen 2.646 N/A SER 396.A N TYR 439.A O no hydrogen 2.781 N/A SER 396.A OG ASN 415.A O no hydrogen 3.218 N/A ALA 398.A N THR 419.A O no hydrogen 3.139 N/A ILE 399.A N ALA 437.A O no hydrogen 2.777 N/A CYS 402.A SG GLY 400.A O no hydrogen 3.810 N/A VAL 403.A N LYS 426.A O no hydrogen 2.913 N/A LEU 405.A N GLN 424.A O no hydrogen 3.083 N/A ASN 406.A N SER 404.A OG no hydrogen 2.700 N/A SER 407.A N THR 422.A OG1 no hydrogen 3.116 N/A SER 407.A OG GLN 424.A OE1 no hydrogen 3.111 N/A LYS 408.A NZ ASN 406.A OD1 no hydrogen 2.969 N/A LYS 408.A NZ GLY 421.A O no hydrogen 2.655 N/A CYS 411.A SG THR 389.A OG1 no hydrogen 3.290 N/A VAL 412.A N GLY 409.A O no hydrogen 3.399 N/A SER 413.A N ILE 395.A O no hydrogen 3.146 N/A SER 413.A OG ASN 415.A O no hydrogen 3.436 N/A SER 413.A OG GLU 441.A OE2 no hydrogen 3.401 N/A ASN 415.A N SER 413.A OG no hydrogen 3.044 N/A ILE 417.A N SER 396.A O no hydrogen 2.774 N/A THR 419.A N ALA 398.A O no hydrogen 3.005 N/A THR 422.A OG1 SER 407.A O no hydrogen 3.390 N/A THR 422.A OG1 GLN 424.A O no hydrogen 2.931 N/A CYS 423.A SG SER 407.A OG no hydrogen 3.495 N/A GLN 424.A N THR 422.A OG1 no hydrogen 3.020 N/A TRP 425.A N LEU 385.A O no hydrogen 2.757 N/A TRP 425.A NE1 THR 419.A O no hydrogen 3.238 N/A LYS 426.A N VAL 403.A O no hydrogen 2.707 N/A LYS 426.A NZ THR 319.A O no hydrogen 2.993 N/A ILE 427.A N GLY 383.A O no hydrogen 2.600 N/A CYS 428.A SG ALA 318.A O no hydrogen 3.357 N/A CYS 428.A SG HIS 322.A O no hydrogen 3.856 N/A LEU 430.A N GLY 380.A O no hydrogen 3.144 N/A SER 431.A N THR 434.A OG1 no hydrogen 2.814 N/A SER 431.A OG THR 433.A OG1 no hydrogen 3.386 N/A SER 431.A OG THR 434.A OG1 no hydrogen 3.277 N/A THR 433.A OG1 SER 431.A OG no hydrogen 3.386 N/A THR 434.A N SER 431.A O no hydrogen 3.193 N/A THR 434.A OG1 SER 431.A O no hydrogen 3.348 N/A THR 434.A OG1 SER 431.A OG no hydrogen 3.277 N/A THR 435.A N ARG 575.A O no hydrogen 2.768 N/A THR 435.A OG1 THR 41.A OG1 no hydrogen 2.557 N/A THR 435.A OG1 THR 433.A O no hydrogen 3.179 N/A LEU 436.A N PHE 40.A O no hydrogen 2.826 N/A ALA 437.A N ILE 399.A O no hydrogen 2.994 N/A ILE 438.A N ALA 38.A O no hydrogen 2.880 N/A TYR 439.A N GLY 397.A O no hydrogen 2.846 N/A TYR 439.A OH LEU 494.A O no hydrogen 2.721 N/A PHE 440.A N VAL 36.A O no hydrogen 2.855 N/A GLU 441.A N LYS 394.A O no hydrogen 2.734 N/A VAL 443.A N GLU 392.A O no hydrogen 2.931 N/A ARG 445.A NH1 ALA 469.A O no hydrogen 2.912 N/A GLY 446.A N ARG 470.A O no hydrogen 2.642 N/A ALA 447.A N SER 390.A OG no hydrogen 2.925 N/A ILE 448.A N ILE 468.A O no hydrogen 3.095 N/A GLN 449.A N LYS 388.A O no hydrogen 2.790 N/A GLN 449.A NE2 VAL 67.A O no hydrogen 2.839 N/A GLN 449.A NE2 THR 467.A OG1 no hydrogen 2.949 N/A PHE 450.A N THR 466.A O no hydrogen 2.770 N/A VAL 451.A N GLU 386.A O no hydrogen 2.865 N/A THR 452.A N ARG 464.A O no hydrogen 2.795 N/A GLN 453.A N THR 384.A O no hydrogen 2.927 N/A TYR 454.A N ARG 462.A O no hydrogen 2.958 N/A TYR 454.A OH GLU 116.A OE2 no hydrogen 2.573 N/A GLN 455.A N PHE 381.A O no hydrogen 2.716 N/A HIS 456.A N GLN 460.A O no hydrogen 2.855 N/A HIS 456.A ND1 SER 458.A OG no hydrogen 3.157 N/A SER 457.A OG PHE 377.A O no hydrogen 2.893 N/A SER 458.A N HIS 456.A ND1 no hydrogen 3.201 N/A SER 458.A OG HIS 456.A ND1 no hydrogen 3.157 N/A GLY 459.A N HIS 456.A O no hydrogen 2.739 N/A GLN 460.A N SER 458.A OG no hydrogen 3.384 N/A ARG 461.A NH2 GLY 382.A O no hydrogen 3.127 N/A ARG 462.A N TYR 454.A O no hydrogen 2.876 N/A ARG 462.A NE GLN 460.A OE1 no hydrogen 3.297 N/A ARG 462.A NH1 GLU 116.A OE1 no hydrogen 3.149 N/A ARG 462.A NH2 GLN 460.A OE1 no hydrogen 2.903 N/A ILE 463.A N TYR 117.A O no hydrogen 2.894 N/A ARG 464.A N THR 452.A O no hydrogen 2.699 N/A ARG 464.A NH1 PRO 42.A O no hydrogen 2.230 N/A ARG 464.A NH2 LYS 44.A O no hydrogen 2.751 N/A VAL 465.A N ILE 115.A O no hydrogen 2.718 N/A THR 466.A N PHE 450.A O no hydrogen 2.968 N/A THR 466.A OG1 SER 114.A OG no hydrogen 2.976 N/A ILE 468.A N ILE 448.A O no hydrogen 2.978 N/A ARG 470.A N GLY 446.A O no hydrogen 3.008 N/A ARG 470.A NE ASN 20.A OD1 no hydrogen 2.925 N/A ARG 470.A NH1 ALA 469.A O no hydrogen 2.930 N/A ALA 473.A N TRP 22.A O no hydrogen 2.643 N/A THR 477.A N ASP 474.A O no hydrogen 3.142 N/A GLN 478.A NE2 SER 25.A OG no hydrogen 2.718 N/A ASN 481.A N THR 477.A O no hydrogen 2.983 N/A ILE 482.A N GLN 478.A O no hydrogen 3.000 N/A ALA 483.A N ILE 479.A O no hydrogen 2.978 N/A ALA 484.A N GLN 480.A O no hydrogen 3.463 N/A SER 485.A N ILE 482.A O no hydrogen 3.034 N/A SER 485.A OG ILE 482.A O no hydrogen 2.733 N/A PHE 486.A N ALA 483.A O no hydrogen 3.209 N/A ASP 487.A N SER 18.A O no hydrogen 2.963 N/A ALA 490.A N ASP 487.A OD1 no hydrogen 2.960 N/A ALA 491.A N ASP 487.A O no hydrogen 2.734 N/A ALA 492.A N GLN 488.A O no hydrogen 2.862 N/A ILE 493.A N GLU 489.A O no hydrogen 3.169 N/A LEU 494.A N ALA 490.A O no hydrogen 2.932 N/A MET 495.A N ALA 491.A O no hydrogen 2.871 N/A ALA 496.A N ALA 492.A O no hydrogen 3.067 N/A ARG 497.A N ILE 493.A O no hydrogen 2.814 N/A ARG 497.A NH1 GLN 576.A O no hydrogen 3.470 N/A ARG 497.A NH2 THR 435.A O no hydrogen 3.073 N/A ARG 497.A NH2 GLN 576.A O no hydrogen 3.205 N/A LEU 498.A N LEU 494.A O no hydrogen 3.302 N/A ALA 499.A N MET 495.A O no hydrogen 3.088 N/A ILE 500.A N ALA 496.A O no hydrogen 2.916 N/A TYR 501.A N ARG 497.A O no hydrogen 2.849 N/A ARG 502.A N LEU 498.A O no hydrogen 2.972 N/A ALA 503.A N ALA 499.A O no hydrogen 3.043 N/A GLU 504.A N ILE 500.A O no hydrogen 2.924 N/A THR 505.A N ARG 502.A O no hydrogen 3.407 N/A THR 505.A OG1 TYR 501.A O no hydrogen 3.338 N/A LEU 509.A N ASP 507.A OD1 no hydrogen 2.727 N/A LEU 512.A N VAL 508.A O no hydrogen 3.053 N/A ASP 513.A N LEU 509.A O no hydrogen 2.777 N/A ARG 514.A N ARG 510.A O no hydrogen 2.937 N/A GLN 515.A N TRP 511.A O no hydrogen 3.189 N/A LEU 516.A N LEU 512.A O no hydrogen 3.000 N/A ILE 517.A N ASP 513.A O no hydrogen 2.800 N/A ARG 518.A N ARG 514.A O no hydrogen 2.970 N/A LEU 519.A N GLN 515.A O no hydrogen 2.979 N/A CYS 520.A N LEU 516.A O no hydrogen 3.008 N/A CYS 520.A SG LEU 516.A O no hydrogen 3.455 N/A GLN 521.A N ILE 517.A O no hydrogen 2.983 N/A GLN 521.A NE2 LEU 703.A O no hydrogen 3.327 N/A GLN 521.A NE2 ALA 704.A O no hydrogen 3.495 N/A GLN 521.A NE2 SER 707.A O no hydrogen 3.346 N/A LYS 522.A N ARG 518.A O no hydrogen 2.981 N/A LYS 522.A NZ ARG 31.A O no hydrogen 2.991 N/A PHE 523.A N LEU 519.A O no hydrogen 3.081 N/A GLY 524.A N CYS 520.A O no hydrogen 2.743 N/A GLU 525.A N ARG 535.A O no hydrogen 3.064 N/A TYR 526.A OH GLN 521.A O no hydrogen 3.297 N/A HIS 527.A N SER 533.A OG no hydrogen 2.848 N/A ASP 529.A N VAL 705.A O no hydrogen 2.724 N/A ASP 530.A N HIS 527.A O no hydrogen 3.068 N/A SER 533.A N ASP 530.A O no hydrogen 2.776 N/A SER 533.A OG ASP 530.A O no hydrogen 2.696 N/A PHE 534.A N PRO 531.A O no hydrogen 3.127 N/A ARG 535.A N GLU 525.A O no hydrogen 2.983 N/A ARG 535.A NE SER 533.A O no hydrogen 3.067 N/A PHE 540.A N SER 537.A O no hydrogen 3.011 N/A SER 541.A N SER 537.A O no hydrogen 2.958 N/A LEU 542.A N GLN 488.A OE1 no hydrogen 3.011 N/A TYR 543.A N PHE 540.A O no hydrogen 3.245 N/A PHE 546.A N LEU 542.A O no hydrogen 3.111 N/A MET 547.A N TYR 543.A O no hydrogen 3.051 N/A PHE 548.A N PRO 544.A O no hydrogen 2.915 N/A HIS 549.A N GLN 545.A O no hydrogen 3.063 N/A LEU 550.A N PHE 546.A O no hydrogen 2.989 N/A ARG 551.A N MET 547.A O no hydrogen 3.128 N/A ARG 551.A NE ASP 513.A OD1 no hydrogen 3.020 N/A ARG 551.A NH2 ASP 513.A OD2 no hydrogen 2.912 N/A ARG 552.A N HIS 549.A O no hydrogen 3.388 N/A SER 553.A N LEU 550.A O no hydrogen 3.256 N/A SER 553.A OG LEU 550.A O no hydrogen 2.814 N/A PHE 555.A N SER 553.A OG no hydrogen 3.117 N/A LEU 556.A N SER 553.A O no hydrogen 3.242 N/A GLN 557.A N SER 553.A O no hydrogen 2.971 N/A SER 562.A N GLU 565.A OE1 no hydrogen 3.293 N/A ASP 564.A N GLN 333.A OE1 no hydrogen 3.195 N/A GLU 565.A N SER 562.A OG no hydrogen 3.123 N/A SER 566.A N SER 562.A O no hydrogen 3.125 N/A SER 566.A OG SER 562.A O no hydrogen 3.182 N/A SER 567.A N PRO 563.A O no hydrogen 3.182 N/A SER 567.A OG PRO 563.A O no hydrogen 3.047 N/A TYR 568.A N ASP 564.A O no hydrogen 3.088 N/A TYR 569.A N GLU 565.A O no hydrogen 2.941 N/A ARG 570.A N SER 566.A O no hydrogen 3.149 N/A ARG 570.A NE PHE 555.A O no hydrogen 3.086 N/A ARG 570.A NH2 PHE 555.A O no hydrogen 3.039 N/A HIS 571.A N SER 567.A O no hydrogen 3.046 N/A HIS 571.A ND1 ASN 344.A OD1 no hydrogen 2.578 N/A HIS 572.A N TYR 568.A O no hydrogen 3.284 N/A HIS 572.A NE2 MET 350.A O no hydrogen 3.079 N/A PHE 573.A N TYR 569.A O no hydrogen 3.083 N/A MET 574.A N ARG 570.A O no hydrogen 2.883 N/A ARG 575.A N HIS 572.A O no hydrogen 3.430 N/A ARG 575.A NH1 PRO 343.A O no hydrogen 3.464 N/A ARG 575.A NH2 GLY 347.A O no hydrogen 2.667 N/A GLN 576.A N HIS 572.A O no hydrogen 3.261 N/A ASP 577.A N GLN 576.A OE1 no hydrogen 3.207 N/A GLN 580.A N ASP 577.A OD2 no hydrogen 2.989 N/A SER 581.A N ASP 577.A O no hydrogen 2.929 N/A SER 581.A OG GLN 576.A O no hydrogen 3.493 N/A SER 581.A OG ASP 577.A O no hydrogen 2.781 N/A LEU 582.A N LEU 578.A O no hydrogen 2.931 N/A ILE 583.A N THR 579.A O no hydrogen 3.345 N/A MET 584.A N GLN 580.A O no hydrogen 3.131 N/A ILE 585.A N SER 581.A O no hydrogen 3.203 N/A GLN 586.A N LEU 582.A O no hydrogen 2.839 N/A GLN 586.A NE2 GLN 545.A OE1 no hydrogen 2.993 N/A TYR 590.A N LEU 615.A O no hydrogen 2.921 N/A ALA 591.A N GLU 599.A O no hydrogen 2.768 N/A TYR 592.A N ILE 613.A O no hydrogen 2.603 N/A TYR 592.A OH ASP 657.A OD2 no hydrogen 3.091 N/A SER 593.A OG SER 595.A OG no hydrogen 3.065 N/A SER 595.A OG SER 593.A OG no hydrogen 3.065 N/A GLY 596.A N PHE 594.A O no hydrogen 2.638 N/A GLU 599.A N ALA 591.A O no hydrogen 3.171 N/A VAL 601.A N LEU 589.A O no hydrogen 2.807 N/A ASP 604.A N LEU 602.A O no hydrogen 2.803 N/A SER 606.A N ASP 604.A OD1 no hydrogen 3.427 N/A SER 607.A N ASP 604.A O no hydrogen 3.039 N/A SER 607.A OG LEU 602.A O no hydrogen 2.892 N/A ILE 608.A N SER 605.A O no hydrogen 3.105 N/A LEU 609.A N SER 607.A O no hydrogen 3.076 N/A ARG 612.A NH2 SER 607.A O no hydrogen 2.802 N/A ILE 613.A N TYR 592.A O no hydrogen 2.618 N/A LEU 614.A N TYR 625.A O no hydrogen 2.929 N/A LEU 615.A N TYR 590.A O no hydrogen 2.888 N/A MET 616.A N LEU 623.A O no hydrogen 2.730 N/A ASP 617.A N ILE 588.A O no hydrogen 3.073 N/A THR 618.A N GLN 621.A O no hydrogen 2.596 N/A GLN 621.A N THR 618.A O no hydrogen 3.124 N/A ILE 622.A N ARG 670.A O no hydrogen 3.103 N/A LEU 623.A N MET 616.A O no hydrogen 2.829 N/A ILE 624.A N ILE 672.A O no hydrogen 2.859 N/A TYR 625.A N LEU 614.A O no hydrogen 2.802 N/A HIS 626.A N THR 674.A O no hydrogen 3.087 N/A GLY 627.A N ARG 612.A O no hydrogen 3.319 N/A ILE 630.A N ALA 610.A O no hydrogen 3.168 N/A ALA 631.A N GLY 627.A O no hydrogen 2.646 N/A GLN 632.A N GLU 628.A O no hydrogen 2.896 N/A TRP 633.A N THR 629.A O no hydrogen 2.937 N/A ARG 634.A N ILE 630.A O no hydrogen 3.134 N/A LYS 635.A N ALA 631.A O no hydrogen 2.740 N/A SER 636.A N GLN 632.A O no hydrogen 2.526 N/A GLY 637.A N TRP 633.A O no hydrogen 3.423 N/A GLN 639.A NE2 TRP 633.A O no hydrogen 3.211 N/A GLN 639.A NE2 ARG 634.A O no hydrogen 2.743 N/A ASP 640.A N GLY 637.A O no hydrogen 3.106 N/A TYR 644.A N MET 641.A O no hydrogen 2.979 N/A ARG 648.A NE GLN 639.A O no hydrogen 2.989 N/A HIS 649.A N GLU 645.A O no hydrogen 3.433 N/A LEU 650.A N ASN 646.A O no hydrogen 3.223 N/A LEU 651.A N PHE 647.A O no hydrogen 3.077 N/A GLN 652.A N ARG 648.A O no hydrogen 2.932 N/A ALA 653.A N LEU 650.A O no hydrogen 3.030 N/A ASP 656.A N GLN 652.A O no hydrogen 2.850 N/A ASP 657.A N ALA 653.A O no hydrogen 3.227 N/A ALA 658.A N PRO 654.A O no hydrogen 3.004 N/A GLN 659.A N VAL 655.A O no hydrogen 3.311 N/A GLN 659.A NE2 VAL 655.A O no hydrogen 3.613 N/A LEU 662.A N ALA 658.A O no hydrogen 2.751 N/A SER 664.A OG ILE 661.A O no hydrogen 3.483 N/A ARG 665.A NH1 ASP 617.A OD1 no hydrogen 2.810 N/A ARG 665.A NH1 PHE 619.A O no hydrogen 3.129 N/A ARG 665.A NH2 GLN 580.A OE1 no hydrogen 3.532 N/A ARG 665.A NH2 ASP 617.A OD1 no hydrogen 3.463 N/A ARG 665.A NH2 ASP 617.A OD2 no hydrogen 3.020 N/A MET 668.A N THR 364.A OG1 no hydrogen 3.129 N/A ARG 670.A N PHE 620.A O no hydrogen 3.148 N/A ILE 672.A N ILE 622.A O no hydrogen 3.115 N/A THR 674.A N ILE 624.A O no hydrogen 3.026 N/A THR 674.A OG1 GLU 675.A O no hydrogen 3.449 N/A HIS 676.A N HIS 626.A O no hydrogen 3.109 N/A GLY 678.A N GLU 675.A O no hydrogen 2.784 N/A ARG 682.A N SER 679.A O no hydrogen 3.441 N/A PHE 683.A N GLN 680.A O no hydrogen 3.328 N/A LEU 684.A N ALA 681.A O no hydrogen 2.839 N/A LEU 685.A N ALA 681.A O no hydrogen 3.051 N/A SER 686.A N ARG 682.A O no hydrogen 2.981 N/A SER 686.A OG ARG 682.A O no hydrogen 2.892 N/A SER 686.A OG PHE 683.A O no hydrogen 3.274 N/A LYS 687.A N LEU 684.A O no hydrogen 3.272 N/A VAL 688.A N LEU 684.A O no hydrogen 3.065 N/A GLN 694.A N GLN 694.A OE1 no hydrogen 2.551 N/A PHE 696.A N SER 692.A O no hydrogen 2.836 N/A MET 697.A N LEU 693.A O no hydrogen 2.795 N/A ASP 698.A N GLN 694.A O no hydrogen 3.059 N/A HIS 699.A N VAL 695.A O no hydrogen 3.269 N/A HIS 699.A ND1 ASP 690.A OD2 no hydrogen 3.276 N/A LEU 700.A N PHE 696.A O no hydrogen 3.149 N/A LYS 701.A N MET 697.A O no hydrogen 2.934 N/A LYS 702.A N ASP 698.A O no hydrogen 2.920 N/A LEU 703.A N HIS 699.A O no hydrogen 3.033 N/A ALA 704.A N LEU 700.A O no hydrogen 2.835 N/A ALA 704.A N LYS 701.A O no hydrogen 3.215 N/A VAL 705.A N LYS 701.A O no hydrogen 3.208 N/A SER 706.A OG LYS 702.A O no hydrogen 3.517 N/A SER 706.A OG LEU 703.A O no hydrogen 3.331 N/A