Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nut_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N VAL 528.A O no hydrogen 2.866 N/A LEU 8.A N LEU 526.A O no hydrogen 2.868 N/A LEU 9.A N ASN 7.A OD1 no hydrogen 3.137 N/A GLN 10.A N ASN 7.A O no hydrogen 2.986 N/A GLU 11.A N ASN 7.A O no hydrogen 3.341 N/A ASN 13.A ND2 GLU 11.A O no hydrogen 3.675 N/A LEU 27.A N PRO 25.A O no hydrogen 2.836 N/A ILE 31.A N HIS 28.A O no hydrogen 3.115 N/A GLN 32.A N HIS 28.A O no hydrogen 3.075 N/A LYS 33.A N GLU 29.A O no hydrogen 3.241 N/A LEU 34.A N ILE 31.A O no hydrogen 3.195 N/A ASN 35.A N GLN 32.A O no hydrogen 3.245 N/A ASN 35.A ND2 GLN 32.A OE1 no hydrogen 3.012 N/A ASN 35.A ND2 CYS 465.A O no hydrogen 3.000 N/A CYS 36.A SG ASN 37.A O no hydrogen 3.635 N/A LEU 40.A N ASN 37.A O no hydrogen 2.973 N/A PHE 41.A N ASN 37.A O no hydrogen 3.210 N/A ARG 42.A N LEU 65.A O no hydrogen 3.059 N/A ARG 42.A NE PRO 38.A O no hydrogen 3.274 N/A ARG 42.A NH1 ASP 480.A OD2 no hydrogen 3.478 N/A CYS 43.A SG LEU 45.A O no hydrogen 3.265 N/A CYS 43.A SG GLY 63.A O no hydrogen 3.602 N/A THR 44.A N GLY 63.A O no hydrogen 3.152 N/A THR 44.A OG1 PRO 61.A O no hydrogen 2.886 N/A THR 44.A OG1 GLY 63.A O no hydrogen 3.401 N/A THR 46.A N GLY 478.A O no hydrogen 3.196 N/A THR 46.A OG1 GLY 478.A O no hydrogen 2.840 N/A ILE 48.A N PRO 467.A O no hydrogen 3.009 N/A GLN 50.A N VAL 469.A O no hydrogen 2.853 N/A GLN 50.A NE2 LEU 436.A O no hydrogen 3.638 N/A GLN 52.A NE2 ASN 56.A OD1 no hydrogen 3.060 N/A LEU 54.A N THR 51.A OG1 no hydrogen 2.954 N/A LEU 55.A N THR 51.A O no hydrogen 3.018 N/A ASN 56.A N GLN 52.A O no hydrogen 2.813 N/A LYS 57.A N ALA 53.A O no hydrogen 3.039 N/A ALA 58.A N LEU 54.A O no hydrogen 3.293 N/A LYS 59.A NZ ASN 56.A O no hydrogen 3.220 N/A GLY 63.A N THR 44.A OG1 no hydrogen 3.023 N/A LEU 64.A N VAL 428.A O no hydrogen 2.758 N/A LEU 65.A N ARG 42.A O no hydrogen 3.019 N/A LEU 66.A N TYR 426.A O no hydrogen 2.834 N/A HIS 67.A N LEU 40.A O no hydrogen 3.021 N/A LYS 70.A N HIS 67.A O no hydrogen 3.304 N/A LYS 70.A NZ GLU 39.A OE1 no hydrogen 2.964 N/A VAL 78.A N GLU 133.A O no hydrogen 2.848 N/A SER 80.A OG GLU 126.A OE2 no hydrogen 2.985 N/A ARG 85.A NE ARG 90.A O no hydrogen 2.737 N/A ARG 85.A NH1 TYR 140.A OH no hydrogen 2.836 N/A ARG 85.A NH2 ARG 90.A O no hydrogen 2.955 N/A CYS 86.A N THR 91.A O no hydrogen 2.747 N/A CYS 86.A SG ASN 114.A OD1 no hydrogen 3.822 N/A ARG 87.A N ASN 114.A OD1 no hydrogen 2.645 N/A CYS 89.A SG THR 91.A OG1 no hydrogen 2.895 N/A ARG 90.A N CYS 86.A O no hydrogen 2.999 N/A TYR 92.A N GLN 445.A OE1 no hydrogen 3.043 N/A ILE 93.A N VAL 84.A O no hydrogen 3.069 N/A VAL 97.A N ASN 94.A O no hydrogen 3.309 N/A SER 98.A N LYS 106.A O no hydrogen 3.119 N/A LEU 100.A N ARG 104.A O no hydrogen 3.293 N/A TRP 105.A N ASN 114.A O no hydrogen 2.796 N/A LYS 106.A N SER 98.A O no hydrogen 2.838 N/A CYS 107.A N ARG 112.A O no hydrogen 2.947 N/A ASN 108.A ND2 SER 443.A OG no hydrogen 2.700 N/A TYR 111.A N CYS 107.A O no hydrogen 2.969 N/A TYR 111.A OH THR 439.A OG1 no hydrogen 3.018 N/A ASN 114.A N TRP 105.A O no hydrogen 2.642 N/A VAL 116.A N ARG 103.A O no hydrogen 2.957 N/A GLU 119.A N PRO 117.A O no hydrogen 2.543 N/A ARG 123.A N GLU 120.A O no hydrogen 3.161 N/A ARG 124.A N PRO 121.A O no hydrogen 3.152 N/A ARG 124.A NH2 SER 80.A OG no hydrogen 3.149 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.815 N/A VAL 127.A N ARG 124.A O no hydrogen 3.082 N/A GLN 128.A N PRO 125.A O no hydrogen 3.046 N/A GLN 128.A NE2 HIS 122.A O no hydrogen 3.223 N/A ASN 129.A N PRO 125.A O no hydrogen 3.147 N/A ASN 129.A ND2 PRO 125.A O no hydrogen 3.096 N/A THR 131.A OG1 HIS 462.A ND1 no hydrogen 3.067 N/A ILE 132.A N VAL 461.A O no hydrogen 3.067 N/A GLU 133.A N PRO 76.A O no hydrogen 2.857 N/A PHE 134.A N ILE 459.A O no hydrogen 2.686 N/A MET 135.A N VAL 78.A O no hydrogen 3.277 N/A ALA 136.A N ARG 457.A O no hydrogen 3.043 N/A GLU 139.A N GLU 139.A OE1 no hydrogen 2.644 N/A TYR 140.A N PRO 137.A O no hydrogen 2.961 N/A ARG 143.A NE GLU 387.A OE1 no hydrogen 2.827 N/A ARG 143.A NH2 THR 274.A O no hydrogen 2.817 N/A ARG 143.A NH2 GLU 387.A OE1 no hydrogen 3.057 N/A GLN 146.A N GLU 387.A OE2 no hydrogen 3.024 N/A TYR 150.A N LYS 187.A O no hydrogen 2.966 N/A TYR 150.A OH PRO 181.A O no hydrogen 2.720 N/A LEU 151.A N ARG 277.A O no hydrogen 3.041 N/A PHE 152.A N GLY 189.A O no hydrogen 3.090 N/A VAL 153.A N SER 279.A O no hydrogen 2.866 N/A PHE 154.A N ILE 191.A O no hydrogen 2.723 N/A ASP 155.A N PHE 281.A O no hydrogen 3.072 N/A VAL 156.A N PHE 193.A O no hydrogen 2.973 N/A SER 157.A N ASP 155.A OD1 no hydrogen 2.861 N/A SER 157.A OG ASP 155.A OD1 no hydrogen 2.967 N/A SER 157.A OG GLN 284.A OE1 no hydrogen 3.415 N/A HIS 158.A N GLU 255.A O no hydrogen 2.615 N/A VAL 161.A N SER 157.A O no hydrogen 2.781 N/A GLU 162.A N HIS 158.A O no hydrogen 2.850 N/A THR 163.A N ASN 159.A O no hydrogen 2.975 N/A THR 163.A N ALA 160.A O no hydrogen 3.029 N/A THR 163.A OG1 ALA 160.A O no hydrogen 2.793 N/A GLY 164.A N VAL 161.A O no hydrogen 3.302 N/A TYR 165.A N THR 163.A OG1 no hydrogen 3.258 N/A TYR 165.A OH ASP 155.A O no hydrogen 2.683 N/A SER 168.A OG TYR 165.A O no hydrogen 2.798 N/A SER 168.A OG TYR 360.A OH no hydrogen 3.170 N/A VAL 169.A N TYR 165.A O no hydrogen 3.106 N/A CYS 170.A N LEU 166.A O no hydrogen 2.901 N/A CYS 170.A SG LEU 166.A O no hydrogen 3.446 N/A GLN 171.A N ASN 167.A O no hydrogen 2.977 N/A GLN 171.A NE2 GLN 171.A O no hydrogen 3.312 N/A GLN 171.A NE2 ASP 175.A OD1 no hydrogen 3.377 N/A GLN 171.A NE2 ASP 175.A OD2 no hydrogen 3.482 N/A SER 172.A N SER 168.A O no hydrogen 2.747 N/A SER 172.A OG SER 168.A O no hydrogen 3.244 N/A LEU 173.A N VAL 169.A O no hydrogen 2.912 N/A LEU 174.A N CYS 170.A O no hydrogen 3.012 N/A ASP 175.A N GLN 171.A O no hydrogen 3.181 N/A ASN 176.A N SER 172.A O no hydrogen 3.093 N/A ASN 176.A N LEU 173.A O no hydrogen 3.053 N/A ASN 176.A ND2 SER 172.A O no hydrogen 2.666 N/A LEU 177.A N LEU 174.A O no hydrogen 3.437 N/A LEU 179.A N ASN 176.A O no hydrogen 2.766 N/A LEU 180.A N ASN 176.A O no hydrogen 3.162 N/A ARG 185.A N ASN 183.A OD1 no hydrogen 3.181 N/A ARG 185.A NH1 PRO 145.A O no hydrogen 3.202 N/A ARG 185.A NH2 PRO 145.A O no hydrogen 2.559 N/A THR 186.A N ASN 183.A O no hydrogen 3.268 N/A THR 186.A OG1 ASN 183.A O no hydrogen 3.102 N/A LYS 187.A N PRO 148.A O no hydrogen 2.883 N/A ILE 188.A N VAL 230.A O no hydrogen 2.903 N/A GLY 189.A N TYR 150.A O no hydrogen 2.905 N/A ILE 191.A N PHE 152.A O no hydrogen 2.873 N/A THR 192.A N HIS 198.A O no hydrogen 2.962 N/A THR 192.A OG1 HIS 198.A ND1 no hydrogen 2.630 N/A THR 192.A OG1 TYR 200.A OH no hydrogen 2.767 N/A PHE 193.A N PHE 154.A O no hydrogen 2.937 N/A ASP 194.A N THR 196.A O no hydrogen 3.021 N/A SER 195.A N GLU 255.A OE1 no hydrogen 3.354 N/A SER 195.A OG GLU 255.A OE1 no hydrogen 2.363 N/A THR 196.A N ASP 194.A OD1 no hydrogen 2.812 N/A THR 196.A OG1 ASP 194.A OD1 no hydrogen 2.971 N/A THR 196.A OG1 HIS 198.A NE2 no hydrogen 2.693 N/A ILE 197.A N VAL 214.A O no hydrogen 3.022 N/A HIS 198.A N THR 192.A O no hydrogen 2.781 N/A HIS 198.A ND1 THR 192.A OG1 no hydrogen 2.630 N/A HIS 198.A NE2 ASP 194.A OD1 no hydrogen 3.109 N/A HIS 198.A NE2 THR 196.A OG1 no hydrogen 2.693 N/A PHE 199.A N LEU 212.A O no hydrogen 2.751 N/A TYR 200.A OH THR 192.A OG1 no hydrogen 2.767 N/A GLY 201.A N GLN 210.A O no hydrogen 2.701 N/A LEU 202.A N ASN 227.A O no hydrogen 3.059 N/A LEU 206.A N GLN 203.A O no hydrogen 3.080 N/A GLN 210.A N GLY 201.A O no hydrogen 2.913 N/A LEU 212.A N PHE 199.A O no hydrogen 2.782 N/A VAL 214.A N ILE 197.A O no hydrogen 2.778 N/A ILE 217.A N SER 215.A O no hydrogen 2.959 N/A ASP 219.A N ASP 216.A O no hydrogen 3.152 N/A VAL 230.A N ILE 188.A O no hydrogen 2.974 N/A ASN 231.A ND2 THR 184.A O no hydrogen 3.057 N/A LEU 232.A N THR 186.A O no hydrogen 3.054 N/A GLU 234.A N ASN 231.A OD1 no hydrogen 3.078 N/A SER 235.A N ASN 231.A O no hydrogen 2.876 N/A LYS 236.A NZ ASP 178.A OD1 no hydrogen 2.521 N/A VAL 239.A N SER 235.A O no hydrogen 3.027 N/A GLN 240.A N LYS 236.A O no hydrogen 2.912 N/A ASP 241.A N GLU 237.A O no hydrogen 3.118 N/A LEU 242.A N LEU 238.A O no hydrogen 3.370 N/A LEU 243.A N VAL 239.A O no hydrogen 3.012 N/A LYS 244.A N GLN 240.A O no hydrogen 3.157 N/A THR 245.A N LEU 242.A O no hydrogen 2.868 N/A THR 245.A OG1 ASP 241.A O no hydrogen 2.595 N/A LEU 246.A N LEU 242.A O no hydrogen 2.892 N/A GLN 248.A N THR 245.A O no hydrogen 3.000 N/A MET 249.A N LEU 246.A O no hydrogen 3.131 N/A THR 251.A OG1 GLN 248.A O no hydrogen 3.214 N/A THR 253.A N PHE 250.A O no hydrogen 3.280 N/A THR 253.A OG1 PHE 250.A O no hydrogen 2.805 N/A ALA 259.A N ASP 194.A O no hydrogen 2.817 N/A ALA 263.A N ALA 259.A O no hydrogen 3.249 N/A LEU 264.A N LEU 260.A O no hydrogen 2.935 N/A GLN 265.A N GLY 261.A O no hydrogen 3.117 N/A ALA 266.A N PRO 262.A O no hydrogen 2.975 N/A ALA 267.A N ALA 263.A O no hydrogen 2.874 N/A PHE 268.A N LEU 264.A O no hydrogen 2.910 N/A LYS 269.A N GLN 265.A O no hydrogen 2.925 N/A LEU 270.A N ALA 266.A O no hydrogen 2.883 N/A MET 271.A N ALA 267.A O no hydrogen 3.036 N/A SER 272.A N PHE 268.A O no hydrogen 2.686 N/A THR 274.A N MET 271.A O no hydrogen 3.068 N/A THR 274.A OG1 GLY 275.A O no hydrogen 2.956 N/A GLY 275.A N MET 271.A O no hydrogen 2.853 N/A GLY 276.A N GLN 325.A O no hydrogen 2.909 N/A ARG 277.A N VAL 149.A O no hydrogen 2.784 N/A ARG 277.A NH1 TYR 379.A O no hydrogen 3.166 N/A MET 278.A N ALA 327.A O no hydrogen 2.891 N/A SER 279.A N LEU 151.A O no hydrogen 2.888 N/A SER 279.A OG TYR 379.A OH no hydrogen 2.684 N/A VAL 280.A N ASP 329.A O no hydrogen 2.924 N/A PHE 281.A N VAL 153.A O no hydrogen 2.952 N/A GLN 282.A N PHE 331.A O no hydrogen 2.936 N/A GLN 282.A NE2 SER 258.A OG no hydrogen 3.023 N/A GLN 282.A NE2 GLN 284.A O no hydrogen 2.926 N/A THR 283.A N ASP 155.A OD2 no hydrogen 3.297 N/A THR 283.A OG1 ASP 155.A OD2 no hydrogen 3.319 N/A THR 283.A OG1 ASN 159.A OD1 no hydrogen 2.973 N/A GLN 284.A NE2 THR 256.A O no hydrogen 2.844 N/A THR 287.A N SER 258.A O no hydrogen 3.285 N/A LEU 288.A N SER 258.A O no hydrogen 3.506 N/A LEU 293.A N PRO 286.A O no hydrogen 2.895 N/A ASN 300.A N SER 303.A OG no hydrogen 3.379 N/A HIS 301.A N ASN 553.A OD1 no hydrogen 3.388 N/A ARG 302.A N ASN 300.A OD1 no hydrogen 3.046 N/A SER 303.A N ASN 300.A OD1 no hydrogen 3.162 N/A SER 303.A OG ASN 300.A O no hydrogen 2.707 N/A SER 310.A N SER 342.A OG no hydrogen 2.746 N/A SER 310.A OG ASP 339.A OD2 no hydrogen 2.918 N/A ASP 312.A N ASP 312.A OD1 no hydrogen 2.533 N/A PHE 313.A N THR 311.A OG1 no hydrogen 3.226 N/A TYR 314.A OH GLY 291.A O no hydrogen 2.450 N/A LYS 316.A N ASP 312.A O no hydrogen 2.856 N/A LEU 317.A N PHE 313.A O no hydrogen 2.898 N/A ALA 318.A N TYR 314.A O no hydrogen 2.861 N/A LEU 319.A N LYS 315.A O no hydrogen 2.894 N/A ASP 320.A N LYS 316.A O no hydrogen 3.066 N/A CYS 321.A N LEU 317.A O no hydrogen 2.990 N/A CYS 321.A SG LEU 317.A O no hydrogen 3.381 N/A SER 322.A N ALA 318.A O no hydrogen 2.993 N/A GLY 323.A N LEU 319.A O no hydrogen 3.181 N/A GLN 324.A N CYS 321.A O no hydrogen 2.893 N/A GLN 324.A NE2 SER 272.A O no hydrogen 2.814 N/A GLN 325.A N SER 322.A O no hydrogen 3.130 N/A VAL 326.A N CYS 321.A O no hydrogen 2.837 N/A ALA 327.A N GLY 276.A O no hydrogen 3.073 N/A VAL 328.A N SER 350.A OG no hydrogen 2.922 N/A ASP 329.A N MET 278.A O no hydrogen 2.890 N/A LEU 330.A N SER 353.A O no hydrogen 2.822 N/A PHE 331.A N VAL 280.A O no hydrogen 2.790 N/A LEU 332.A N TYR 355.A O no hydrogen 2.781 N/A LEU 333.A N GLN 282.A O no hydrogen 2.836 N/A SER 334.A OG GLN 336.A O no hydrogen 3.528 N/A SER 334.A OG SER 338.A OG no hydrogen 3.116 N/A SER 338.A N ASP 557.A OD2 no hydrogen 2.797 N/A SER 338.A OG GLN 336.A O no hydrogen 2.828 N/A LEU 340.A N ASP 557.A OD1 no hydrogen 2.900 N/A SER 342.A N ASP 339.A O no hydrogen 3.049 N/A SER 342.A N ASP 339.A OD1 no hydrogen 2.934 N/A SER 342.A OG ASP 339.A OD1 no hydrogen 2.874 N/A SER 342.A OG ASP 339.A OD2 no hydrogen 3.341 N/A LEU 343.A N ASP 339.A O no hydrogen 3.134 N/A GLY 344.A N LEU 340.A O no hydrogen 2.788 N/A CYS 345.A N SER 342.A O no hydrogen 3.411 N/A CYS 345.A SG ALA 341.A O no hydrogen 3.922 N/A CYS 345.A SG SER 342.A O no hydrogen 3.538 N/A ILE 346.A N LEU 343.A O no hydrogen 3.091 N/A SER 347.A N GLY 344.A O no hydrogen 2.982 N/A SER 347.A OG VAL 328.A O no hydrogen 2.773 N/A SER 347.A OG SER 353.A O no hydrogen 3.293 N/A ARG 348.A N GLY 344.A O no hydrogen 3.112 N/A TYR 349.A N CYS 345.A O no hydrogen 3.269 N/A SER 350.A OG ILE 346.A O no hydrogen 2.760 N/A GLY 352.A N SER 347.A O no hydrogen 2.851 N/A SER 353.A N ASP 329.A OD1 no hydrogen 2.821 N/A SER 353.A OG ASP 329.A OD1 no hydrogen 3.385 N/A TYR 355.A N LEU 330.A O no hydrogen 2.704 N/A TYR 357.A N LEU 332.A O no hydrogen 2.821 N/A TYR 357.A OH GLU 375.A OE1 no hydrogen 2.501 N/A SER 359.A N SER 334.A O no hydrogen 3.047 N/A TYR 360.A N TYR 357.A O no hydrogen 3.238 N/A HIS 361.A NE2 GLU 162.A OE2 no hydrogen 2.822 N/A HIS 362.A N THR 163.A O no hydrogen 2.688 N/A HIS 362.A ND1 THR 163.A O no hydrogen 3.080 N/A GLN 363.A N HIS 361.A ND1 no hydrogen 3.141 N/A HIS 364.A N HIS 361.A ND1 no hydrogen 3.165 N/A ASN 365.A N HIS 361.A O no hydrogen 3.031 N/A ASN 365.A ND2 SER 359.A O no hydrogen 3.202 N/A GLN 368.A N ASN 365.A OD1 no hydrogen 2.824 N/A VAL 369.A N ASN 365.A O no hydrogen 3.210 N/A GLN 370.A N PRO 366.A O no hydrogen 3.486 N/A LYS 371.A N VAL 367.A O no hydrogen 3.101 N/A LEU 372.A N GLN 368.A O no hydrogen 3.025 N/A GLN 373.A N VAL 369.A O no hydrogen 3.037 N/A LYS 374.A N GLN 370.A O no hydrogen 2.945 N/A GLU 375.A N LYS 371.A O no hydrogen 2.807 N/A LEU 376.A N LEU 372.A O no hydrogen 2.702 N/A GLN 377.A N GLN 373.A O no hydrogen 3.027 N/A GLN 377.A NE2 ASN 176.A OD1 no hydrogen 3.067 N/A ARG 378.A N LYS 374.A O no hydrogen 3.220 N/A ARG 378.A NE ASP 423.A OD2 no hydrogen 2.947 N/A ARG 378.A NH1 ASP 71.A OD2 no hydrogen 3.197 N/A ARG 378.A NH2 ASP 71.A OD2 no hydrogen 2.925 N/A ARG 378.A NH2 ASP 423.A OD1 no hydrogen 2.800 N/A ARG 378.A NH2 ASP 423.A OD2 no hydrogen 3.541 N/A TYR 379.A N GLU 375.A O no hydrogen 2.953 N/A TYR 379.A OH SER 279.A OG no hydrogen 2.684 N/A TYR 379.A OH ASP 329.A OD2 no hydrogen 2.610 N/A LEU 380.A N LEU 376.A O no hydrogen 2.746 N/A THR 381.A N GLN 377.A O no hydrogen 3.266 N/A THR 381.A N ARG 378.A O no hydrogen 3.268 N/A THR 381.A OG1 GLN 377.A O no hydrogen 2.700 N/A THR 381.A OG1 ARG 378.A O no hydrogen 3.489 N/A ARG 382.A N ARG 378.A O no hydrogen 2.889 N/A ARG 382.A NH1 TYR 355.A OH no hydrogen 3.402 N/A ARG 382.A NH1 ASP 423.A OD2 no hydrogen 2.958 N/A ARG 382.A NH2 TYR 355.A OH no hydrogen 3.266 N/A LYS 383.A NZ PHE 69.A O no hydrogen 2.840 N/A LYS 383.A NZ ASP 71.A OD1 no hydrogen 2.620 N/A GLY 385.A N VAL 420.A O no hydrogen 3.178 N/A PHE 386.A N THR 451.A O no hydrogen 2.749 N/A GLU 387.A N PRO 418.A O no hydrogen 2.964 N/A ALA 388.A N LEU 417.A O no hydrogen 3.021 N/A VAL 389.A N LEU 449.A O no hydrogen 2.976 N/A MET 390.A N LEU 415.A O no hydrogen 2.745 N/A ARG 391.A N ALA 447.A O no hydrogen 3.146 N/A ARG 393.A N GLN 445.A O no hydrogen 2.630 N/A ARG 393.A NE CYS 89.A O no hydrogen 3.054 N/A CYS 394.A SG LEU 398.A O no hydrogen 3.161 N/A THR 395.A N SER 443.A O no hydrogen 3.061 N/A THR 395.A OG1 ASN 108.A O no hydrogen 3.105 N/A THR 395.A OG1 SER 443.A O no hydrogen 3.457 N/A LYS 396.A N LEU 109.A O no hydrogen 2.850 N/A LYS 396.A NZ GLU 434.A OE1 no hydrogen 3.408 N/A LEU 398.A N THR 395.A O no hydrogen 3.056 N/A SER 399.A N SER 431.A O no hydrogen 2.899 N/A SER 399.A OG GLU 433.A OE1 no hydrogen 3.490 N/A HIS 401.A N GLN 429.A O no hydrogen 2.982 N/A THR 402.A N GLN 429.A O no hydrogen 3.482 N/A HIS 404.A N ALA 427.A O no hydrogen 2.774 N/A ASN 406.A ND2 GLY 352.A O no hydrogen 2.948 N/A PHE 408.A N SER 416.A O no hydrogen 3.325 N/A ARG 410.A N LEU 414.A O no hydrogen 2.882 N/A LEU 415.A N MET 390.A O no hydrogen 2.801 N/A SER 416.A N PHE 408.A O no hydrogen 2.978 N/A LEU 417.A N ALA 388.A O no hydrogen 2.775 N/A VAL 420.A N GLY 385.A O no hydrogen 3.053 N/A ALA 424.A N ASN 421.A O no hydrogen 3.417 N/A GLY 425.A N ASN 568.A O no hydrogen 2.720 N/A TYR 426.A N LEU 66.A O no hydrogen 2.835 N/A ALA 427.A N HIS 404.A O no hydrogen 3.046 N/A VAL 428.A N LEU 64.A O no hydrogen 2.698 N/A GLN 429.A N THR 402.A O no hydrogen 3.060 N/A MET 430.A N LEU 62.A O no hydrogen 2.787 N/A SER 431.A N SER 399.A O no hydrogen 2.900 N/A VAL 432.A N GLN 52.A OE1 no hydrogen 2.802 N/A GLU 434.A N GLY 397.A O no hydrogen 2.992 N/A LEU 436.A N GLN 50.A O no hydrogen 2.831 N/A THR 439.A OG1 TYR 111.A OH no hydrogen 3.018 N/A VAL 442.A N LEU 466.A O no hydrogen 2.986 N/A SER 443.A N THR 395.A OG1 no hydrogen 2.727 N/A PHE 444.A N LEU 464.A O no hydrogen 2.816 N/A GLN 445.A N ARG 393.A O no hydrogen 2.592 N/A GLN 445.A NE2 TYR 92.A O no hydrogen 2.946 N/A GLN 445.A NE2 THR 463.A OG1 no hydrogen 3.319 N/A SER 446.A N HIS 462.A O no hydrogen 3.063 N/A ALA 447.A N ARG 391.A O no hydrogen 2.908 N/A LEU 448.A N ARG 460.A O no hydrogen 2.777 N/A LEU 449.A N VAL 389.A O no hydrogen 2.949 N/A TYR 450.A N ARG 458.A O no hydrogen 2.858 N/A TYR 450.A OH GLU 133.A OE2 no hydrogen 2.770 N/A THR 451.A N PHE 386.A O no hydrogen 3.019 N/A THR 451.A OG1 GLU 387.A OE2 no hydrogen 2.964 N/A SER 452.A N GLU 456.A O no hydrogen 3.004 N/A SER 452.A OG GLU 456.A O no hydrogen 3.441 N/A LYS 454.A N SER 452.A OG no hydrogen 3.195 N/A GLY 455.A N SER 452.A O no hydrogen 3.071 N/A GLU 456.A N SER 452.A OG no hydrogen 3.125 N/A ARG 457.A NE TYR 140.A O no hydrogen 2.979 N/A ARG 457.A NH1 GLU 387.A O no hydrogen 3.040 N/A ARG 457.A NH1 THR 451.A OG1 no hydrogen 3.000 N/A ARG 457.A NH2 TYR 140.A O no hydrogen 3.270 N/A ARG 458.A N TYR 450.A O no hydrogen 2.701 N/A ARG 458.A NH1 GLU 133.A OE1 no hydrogen 3.147 N/A ARG 458.A NH2 GLU 456.A OE1 no hydrogen 3.432 N/A ILE 459.A N PHE 134.A O no hydrogen 2.916 N/A ARG 460.A N LEU 448.A O no hydrogen 2.880 N/A ARG 460.A NE GLU 133.A OE2 no hydrogen 2.997 N/A ARG 460.A NH2 GLU 133.A OE2 no hydrogen 2.955 N/A VAL 461.A N ILE 132.A O no hydrogen 2.856 N/A HIS 462.A N SER 446.A O no hydrogen 3.143 N/A HIS 462.A ND1 THR 131.A OG1 no hydrogen 3.067 N/A HIS 462.A NE2 PRO 68.A O no hydrogen 2.764 N/A THR 463.A N ALA 130.A O no hydrogen 2.999 N/A LEU 464.A N PHE 444.A O no hydrogen 2.782 N/A CYS 465.A N ASN 35.A OD1 no hydrogen 2.970 N/A LEU 466.A N VAL 442.A O no hydrogen 2.953 N/A VAL 468.A N GLN 440.A O no hydrogen 3.053 N/A VAL 469.A N ILE 48.A O no hydrogen 2.883 N/A THR 471.A OG1 ASP 474.A OD2 no hydrogen 2.845 N/A ASP 474.A N THR 471.A OG1 no hydrogen 3.242 N/A VAL 475.A N THR 471.A O no hydrogen 3.322 N/A PHE 476.A N LEU 472.A O no hydrogen 3.148 N/A LEU 477.A N ASN 473.A O no hydrogen 2.858 N/A GLY 478.A N ASP 474.A O no hydrogen 3.282 N/A ALA 479.A N PHE 476.A O no hydrogen 3.108 N/A ASP 480.A N THR 44.A O no hydrogen 2.856 N/A ALA 483.A N ASP 480.A OD1 no hydrogen 3.005 N/A ILE 484.A N ASP 480.A O no hydrogen 2.951 N/A SER 485.A N VAL 481.A O no hydrogen 3.090 N/A SER 485.A OG VAL 481.A O no hydrogen 3.032 N/A GLY 486.A N GLN 482.A O no hydrogen 2.969 N/A LEU 487.A N ALA 483.A O no hydrogen 2.989 N/A LEU 488.A N ILE 484.A O no hydrogen 2.956 N/A ALA 489.A N SER 485.A O no hydrogen 2.996 N/A ASN 490.A N GLY 486.A O no hydrogen 3.155 N/A ASN 490.A ND2 GLY 486.A O no hydrogen 3.093 N/A ASN 490.A ND2 VAL 566.A O no hydrogen 3.310 N/A MET 491.A N LEU 487.A O no hydrogen 2.927 N/A ALA 492.A N LEU 488.A O no hydrogen 2.782 N/A VAL 493.A N ALA 489.A O no hydrogen 3.027 N/A ASP 494.A N ASN 490.A O no hydrogen 3.309 N/A ARG 495.A N MET 491.A O no hydrogen 2.991 N/A ARG 495.A NH1 ASP 503.A O no hydrogen 3.220 N/A SER 496.A N ALA 492.A O no hydrogen 2.966 N/A SER 496.A OG ALA 492.A O no hydrogen 2.677 N/A MET 497.A N VAL 493.A O no hydrogen 3.291 N/A THR 498.A N ASP 494.A O no hydrogen 2.856 N/A ALA 499.A N ARG 495.A O no hydrogen 2.683 N/A SER 500.A OG ASP 503.A OD2 no hydrogen 3.515 N/A SER 502.A OG ALA 305.A O no hydrogen 3.161 N/A ASP 503.A N SER 500.A OG no hydrogen 3.291 N/A ALA 504.A N SER 500.A O no hydrogen 2.953 N/A ARG 505.A N LEU 501.A O no hydrogen 2.905 N/A ARG 505.A NH1 LEU 543.A O no hydrogen 3.077 N/A ARG 505.A NH1 PHE 548.A O no hydrogen 2.740 N/A ASP 506.A N SER 502.A O no hydrogen 2.953 N/A ALA 507.A N ASP 503.A O no hydrogen 3.120 N/A LEU 508.A N ALA 504.A O no hydrogen 3.099 N/A VAL 509.A N ARG 505.A O no hydrogen 3.201 N/A ASN 510.A N ASP 506.A O no hydrogen 2.785 N/A ALA 511.A N ALA 507.A O no hydrogen 3.051 N/A ILE 513.A N VAL 509.A O no hydrogen 3.079 N/A ASP 514.A N ASN 510.A O no hydrogen 2.725 N/A SER 515.A N ALA 511.A O no hydrogen 3.229 N/A SER 515.A OG ALA 58.A O no hydrogen 3.374 N/A LEU 516.A N VAL 512.A O no hydrogen 3.056 N/A SER 517.A N ILE 513.A O no hydrogen 2.845 N/A SER 517.A OG VAL 727.A O no hydrogen 3.553 N/A ALA 518.A N ASP 514.A O no hydrogen 2.968 N/A TYR 519.A N SER 515.A O no hydrogen 2.988 N/A ARG 520.A N LEU 516.A O no hydrogen 2.728 N/A SER 521.A N SER 517.A O no hydrogen 2.971 N/A SER 521.A OG SER 517.A O no hydrogen 3.322 N/A SER 522.A N TYR 519.A O no hydrogen 2.914 N/A VAL 523.A N ARG 520.A O no hydrogen 3.360 N/A LEU 526.A N ASN 7.A OD1 no hydrogen 3.210 N/A VAL 528.A N VAL 6.A O no hydrogen 2.944 N/A PHE 530.A N ARG 4.A O no hydrogen 3.302 N/A SER 531.A OG PHE 476.A O no hydrogen 2.624 N/A LEU 532.A N PRO 529.A O no hydrogen 2.958 N/A ARG 533.A N PHE 530.A O no hydrogen 3.072 N/A PHE 535.A N LEU 532.A O no hydrogen 2.942 N/A PHE 538.A N LEU 534.A O no hydrogen 3.011 N/A VAL 539.A N PHE 535.A O no hydrogen 3.125 N/A LEU 540.A N PRO 536.A O no hydrogen 2.989 N/A ALA 541.A N LEU 537.A O no hydrogen 3.043 N/A LEU 542.A N PHE 538.A O no hydrogen 2.975 N/A LEU 543.A N VAL 539.A O no hydrogen 2.859 N/A LYS 544.A N LEU 540.A O no hydrogen 2.991 N/A LYS 544.A N ALA 541.A O no hydrogen 3.071 N/A LYS 544.A NZ ILE 706.A O no hydrogen 2.611 N/A LYS 544.A NZ ASP 708.A O no hydrogen 2.613 N/A LYS 544.A NZ LEU 714.A O no hydrogen 2.992 N/A GLN 545.A N LEU 542.A O no hydrogen 3.242 N/A LYS 546.A NZ GLN 703.A OE1 no hydrogen 3.323 N/A GLN 549.A N GLN 545.A O no hydrogen 2.902 N/A ARG 555.A N GLU 558.A OE1 no hydrogen 2.552 N/A LEU 556.A N GLU 298.A OE1 no hydrogen 3.271 N/A LEU 556.A N GLU 298.A OE2 no hydrogen 3.304 N/A ARG 559.A N ARG 555.A O no hydrogen 3.263 N/A ARG 559.A NH1 SER 547.A O no hydrogen 3.115 N/A ARG 559.A NH1 GLN 549.A O no hydrogen 2.912 N/A ARG 559.A NH2 GLN 549.A O no hydrogen 3.094 N/A ILE 560.A N LEU 556.A O no hydrogen 3.214 N/A PHE 561.A N ASP 557.A O no hydrogen 2.894 N/A ALA 562.A N GLU 558.A O no hydrogen 3.045 N/A MET 563.A N ARG 559.A O no hydrogen 3.028 N/A CYS 564.A N ILE 560.A O no hydrogen 2.806 N/A CYS 564.A SG ILE 560.A O no hydrogen 3.463 N/A GLN 565.A N PHE 561.A O no hydrogen 2.926 N/A VAL 566.A N ALA 562.A O no hydrogen 3.062 N/A LYS 567.A N MET 563.A O no hydrogen 3.095 N/A LYS 567.A NZ HIS 404.A ND1 no hydrogen 2.707 N/A LYS 567.A NZ ASP 494.A OD1 no hydrogen 2.631 N/A LYS 567.A NZ ASP 494.A OD2 no hydrogen 2.960 N/A ASN 568.A N CYS 564.A O no hydrogen 2.934 N/A ASN 568.A N GLN 565.A O no hydrogen 3.195 N/A GLN 569.A N GLN 565.A O no hydrogen 2.826 N/A TYR 573.A N PRO 570.A O no hydrogen 2.960 N/A LEU 574.A N PRO 570.A O no hydrogen 3.364 N/A MET 575.A N LEU 571.A O no hydrogen 3.025 N/A LEU 576.A N VAL 572.A O no hydrogen 3.164 N/A THR 577.A N TYR 573.A O no hydrogen 3.063 N/A THR 577.A OG1 TYR 573.A O no hydrogen 3.111 N/A THR 578.A N LEU 574.A O no hydrogen 2.884 N/A THR 578.A OG1 LEU 574.A O no hydrogen 2.668 N/A HIS 579.A N MET 575.A O no hydrogen 2.729 N/A SER 581.A N ASP 623.A O no hydrogen 3.080 N/A TYR 583.A N LEU 621.A O no hydrogen 2.858 N/A ARG 584.A NE ASP 586.A OD1 no hydrogen 2.764 N/A ARG 584.A NH2 ASP 586.A OD2 no hydrogen 3.502 N/A VAL 585.A N ALA 619.A O no hydrogen 2.930 N/A SER 589.A OG GLU 591.A OE1 no hydrogen 2.954 N/A SER 589.A OG GLU 591.A OE2 no hydrogen 3.259 N/A ALA 593.A N ILE 601.A O no hydrogen 2.827 N/A ILE 596.A N ALA 593.A O no hydrogen 3.425 N/A SER 597.A N ASN 595.A O no hydrogen 2.476 N/A ARG 599.A N ILE 596.A O no hydrogen 2.822 N/A ILE 606.A N SER 17.A O no hydrogen 3.031 N/A LEU 607.A N LEU 582.A O no hydrogen 2.709 N/A SER 610.A N GLN 608.A O no hydrogen 2.838 N/A SER 610.A OG GLU 612.A OE1 no hydrogen 3.067 N/A SER 610.A OG ASP 708.A OD1 no hydrogen 2.712 N/A VAL 611.A N ASP 708.A OD2 no hydrogen 2.799 N/A GLU 612.A N SER 610.A OG no hydrogen 2.980 N/A LYS 613.A N SER 610.A O no hydrogen 2.766 N/A LYS 613.A NZ ASN 13.A OD1 no hydrogen 3.492 N/A LEU 614.A N VAL 611.A O no hydrogen 3.203 N/A GLY 618.A N SER 615.A O no hydrogen 3.311 N/A ALA 619.A N ASP 586.A OD1 no hydrogen 3.276 N/A PHE 620.A N TRP 631.A O no hydrogen 2.693 N/A LEU 621.A N TYR 583.A O no hydrogen 2.808 N/A MET 622.A N MET 629.A O no hydrogen 2.700 N/A ASP 623.A N SER 581.A O no hydrogen 2.742 N/A ALA 624.A N VAL 627.A O no hydrogen 2.890 N/A GLY 625.A N ASP 623.A OD1 no hydrogen 2.780 N/A SER 626.A N ALA 624.A O no hydrogen 2.894 N/A LEU 628.A N ILE 687.A O no hydrogen 2.882 N/A MET 629.A N MET 622.A O no hydrogen 2.959 N/A LEU 630.A N TYR 689.A O no hydrogen 3.375 N/A TRP 631.A N PHE 620.A O no hydrogen 2.672 N/A VAL 632.A N ARG 692.A O no hydrogen 3.253 N/A GLY 633.A N GLY 618.A O no hydrogen 2.852 N/A LYS 634.A N GLU 694.A OE1 no hydrogen 3.339 N/A ASN 635.A ND2 ASP 617.A OD1 no hydrogen 2.840 N/A CYS 636.A N GLY 633.A O no hydrogen 3.161 N/A PHE 640.A N THR 637.A OG1 no hydrogen 3.083 N/A LEU 641.A N THR 637.A O no hydrogen 3.249 N/A SER 642.A N GLN 638.A O no hydrogen 3.076 N/A SER 642.A OG GLN 638.A O no hydrogen 2.856 N/A GLN 643.A N ASN 639.A O no hydrogen 2.778 N/A VAL 644.A N PHE 640.A O no hydrogen 3.013 N/A LEU 645.A N PHE 640.A O no hydrogen 2.982 N/A VAL 647.A N LEU 641.A O no hydrogen 2.771 N/A SER 652.A N ASN 649.A O no hydrogen 2.951 N/A SER 652.A N ASN 649.A OD1 no hydrogen 2.972 N/A SER 652.A OG ASN 649.A O no hydrogen 3.035 N/A SER 652.A OG ASN 649.A OD1 no hydrogen 2.767 N/A ILE 653.A N TYR 650.A O no hydrogen 3.052 N/A LEU 660.A N ASP 659.A OD1 no hydrogen 2.606 N/A LEU 663.A N SER 668.A OG no hydrogen 3.246 N/A THR 665.A OG1 GLN 643.A O no hydrogen 2.741 N/A GLU 667.A N GLU 667.A OE1 no hydrogen 2.820 N/A SER 668.A N THR 665.A OG1 no hydrogen 3.070 N/A ALA 669.A N THR 665.A O no hydrogen 3.275 N/A ARG 670.A N PRO 666.A O no hydrogen 3.172 N/A ILE 671.A N GLU 667.A O no hydrogen 3.270 N/A ILE 672.A N SER 668.A O no hydrogen 2.898 N/A ALA 673.A N ALA 669.A O no hydrogen 2.884 N/A PHE 674.A N ARG 670.A O no hydrogen 2.934 N/A ILE 675.A N ILE 671.A O no hydrogen 2.963 N/A SER 676.A N ILE 672.A O no hydrogen 2.998 N/A SER 676.A OG ILE 672.A O no hydrogen 2.696 N/A TRP 677.A N ALA 673.A O no hydrogen 2.999 N/A LEU 678.A N PHE 674.A O no hydrogen 3.055 N/A ARG 679.A N ILE 675.A O no hydrogen 3.064 N/A ARG 679.A NH2 PRO 686.A O no hydrogen 2.689 N/A GLU 680.A N TRP 677.A O no hydrogen 3.236 N/A GLN 681.A N LEU 678.A O no hydrogen 3.342 N/A GLN 681.A NE2 TRP 677.A O no hydrogen 3.174 N/A ARG 682.A NE LEU 678.A O no hydrogen 3.240 N/A ARG 682.A NH1 ASP 623.A OD1 no hydrogen 3.087 N/A ARG 682.A NH1 GLY 625.A O no hydrogen 2.690 N/A ARG 682.A NH2 ASP 623.A OD1 no hydrogen 3.470 N/A ARG 682.A NH2 ASP 623.A OD2 no hydrogen 2.765 N/A TYR 689.A N LEU 628.A O no hydrogen 3.221 N/A VAL 690.A N MET 657.A O no hydrogen 3.297 N/A GLU 694.A N TYR 650.A OH no hydrogen 2.649 N/A ASN 700.A ND2 TYR 689.A OH no hydrogen 3.561 N/A LEU 702.A N ALA 699.A O no hydrogen 3.052 N/A ASN 704.A N PHE 701.A O no hydrogen 3.270 N/A MET 705.A N LEU 702.A O no hydrogen 2.729 N/A ILE 706.A N ASN 704.A O no hydrogen 2.673 N/A GLU 707.A N LEU 609.A O no hydrogen 3.150 N/A ASP 708.A N MET 705.A O no hydrogen 3.147 N/A THR 710.A N ALA 713.A O no hydrogen 3.007 N/A ALA 713.A N THR 710.A O no hydrogen 3.360 N/A SER 715.A N GLU 718.A OE1 no hydrogen 2.946 N/A SER 715.A OG GLU 718.A OE1 no hydrogen 3.519 N/A TYR 716.A N GLU 707.A O no hydrogen 2.747 N/A GLU 718.A N SER 715.A OG no hydrogen 3.125 N/A PHE 719.A N SER 715.A O no hydrogen 3.010 N/A LEU 720.A N TYR 716.A O no hydrogen 2.987 N/A LEU 721.A N TYR 717.A O no hydrogen 2.966 N/A HIS 722.A N GLU 718.A O no hydrogen 2.845 N/A ILE 723.A N PHE 719.A O no hydrogen 2.998 N/A GLN 724.A N LEU 720.A O no hydrogen 2.946 N/A GLN 725.A N LEU 721.A O no hydrogen 3.112 N/A GLN 726.A N HIS 722.A O no hydrogen 3.212 N/A VAL 727.A N ILE 723.A O no hydrogen 2.676 N/A ASN 728.A N GLN 724.A O no hydrogen 3.279 N/A LYS 729.A N GLN 726.A O no hydrogen 3.331 N/A LYS 729.A NZ GLN 726.A OE1 no hydrogen 3.492 N/A