Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8h2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 7.A N ALA 174.A O no hydrogen 2.868 N/A ASN 9.A N LYS 172.A O no hydrogen 2.785 N/A ALA 19.A N PHE 15.A O no hydrogen 3.437 N/A LYS 20.A N LYS 17.A O no hydrogen 3.117 N/A SER 25.A N GLY 22.A O no hydrogen 3.479 N/A LEU 28.A N SER 25.A OG no hydrogen 3.030 N/A SER 29.A N SER 25.A O no hydrogen 3.038 N/A SER 29.A OG SER 25.A O no hydrogen 3.355 N/A SER 29.A OG ARG 26.A O no hydrogen 2.747 N/A LYS 30.A N THR 27.A O no hydrogen 3.457 N/A GLY 31.A N LEU 28.A O no hydrogen 2.893 N/A THR 34.A OG1 THR 36.A OG1 no hydrogen 2.596 N/A THR 35.A N GLN 703.A O no hydrogen 2.913 N/A THR 35.A OG1 ARG 705.A O no hydrogen 3.326 N/A THR 36.A OG1 THR 34.A OG1 no hydrogen 2.596 N/A TRP 37.A NE1 LEU 28.A O no hydrogen 2.814 N/A ILE 38.A N THR 35.A O no hydrogen 2.939 N/A ASN 40.A N THR 36.A O no hydrogen 3.045 N/A LEU 41.A N TRP 37.A O no hydrogen 3.162 N/A HIS 42.A N TRP 39.A O no hydrogen 2.961 N/A ALA 43.A N TRP 39.A O no hydrogen 2.942 N/A ASP 44.A N ASN 40.A O no hydrogen 3.026 N/A ALA 45.A N HIS 42.A O no hydrogen 3.348 N/A ASP 47.A N ASP 44.A O no hydrogen 3.351 N/A SER 50.A OG ASP 47.A O no hydrogen 2.965 N/A SER 50.A OG ASP 47.A OD2 no hydrogen 2.559 N/A THR 52.A N PHE 48.A O no hydrogen 3.191 N/A GLU 56.A N ASP 54.A OD1 no hydrogen 3.167 N/A ILE 58.A N ASP 54.A O no hydrogen 3.341 N/A SER 59.A N LEU 55.A O no hydrogen 2.942 N/A SER 59.A OG LEU 55.A O no hydrogen 2.419 N/A SER 59.A OG GLU 56.A O no hydrogen 2.610 N/A ARG 60.A N GLU 56.A O no hydrogen 2.922 N/A ARG 60.A NE PRO 175.A O no hydrogen 3.175 N/A LYS 61.A N GLU 57.A O no hydrogen 2.938 N/A LYS 61.A NZ GLU 57.A OE2 no hydrogen 3.418 N/A VAL 62.A N ILE 58.A O no hydrogen 2.917 N/A SER 64.A OG ARG 60.A O no hydrogen 2.516 N/A SER 64.A OG LYS 61.A O no hydrogen 2.894 N/A ALA 65.A N LYS 61.A O no hydrogen 2.915 N/A HIS 66.A N VAL 62.A O no hydrogen 3.189 N/A PHE 67.A N PHE 63.A O no hydrogen 2.399 N/A GLY 68.A N SER 64.A O no hydrogen 2.918 N/A GLN 69.A N ALA 65.A O no hydrogen 3.000 N/A LEU 70.A N HIS 66.A O no hydrogen 2.924 N/A GLY 71.A N PHE 67.A O no hydrogen 2.921 N/A ILE 72.A N GLY 68.A O no hydrogen 3.023 N/A ILE 73.A N GLN 69.A O no hydrogen 2.926 N/A PHE 74.A N LEU 70.A O no hydrogen 2.923 N/A ILE 75.A N GLY 71.A O no hydrogen 2.939 N/A TRP 76.A N ILE 72.A O no hydrogen 2.914 N/A LEU 77.A N ILE 73.A O no hydrogen 2.888 N/A SER 78.A N PHE 74.A O no hydrogen 2.574 N/A SER 78.A OG ALA 152.A O no hydrogen 2.674 N/A GLY 79.A N ILE 75.A O no hydrogen 2.937 N/A MET 80.A N TRP 76.A O no hydrogen 3.257 N/A TYR 81.A N LEU 77.A O no hydrogen 3.321 N/A PHE 82.A N SER 78.A O no hydrogen 3.026 N/A HIS 83.A N GLY 79.A O no hydrogen 3.125 N/A GLY 84.A N MET 80.A O no hydrogen 2.899 N/A ALA 85.A N TYR 81.A O no hydrogen 2.944 N/A ARG 86.A N PHE 82.A O no hydrogen 2.622 N/A PHE 87.A N HIS 83.A O no hydrogen 2.636 N/A SER 88.A OG GLY 84.A O no hydrogen 2.398 N/A ASN 89.A N SER 103.A O no hydrogen 3.291 N/A ASN 89.A ND2 GLY 121.A O no hydrogen 2.458 N/A TYR 90.A OH ILE 142.A O no hydrogen 2.737 N/A TRP 93.A N ASN 89.A O no hydrogen 2.666 N/A LEU 94.A N GLU 91.A O no hydrogen 2.857 N/A SER 95.A OG GLU 91.A O no hydrogen 3.361 N/A THR 98.A OG1 ASP 96.A OD1 no hydrogen 3.098 N/A HIS 99.A N ASP 96.A O no hydrogen 3.159 N/A LYS 101.A N VAL 120.A O no hydrogen 2.869 N/A ILE 110.A N TRP 108.A O no hydrogen 3.088 N/A GLN 113.A N ILE 110.A O no hydrogen 2.892 N/A ILE 115.A N GLY 112.A O no hydrogen 3.285 N/A LEU 116.A N GLN 113.A O no hydrogen 2.913 N/A ASN 117.A N GLU 114.A O no hydrogen 3.042 N/A GLY 118.A N GLY 126.A O no hydrogen 2.920 N/A PHE 124.A N GLY 121.A O no hydrogen 3.198 N/A GLY 126.A N GLY 118.A O no hydrogen 2.942 N/A ILE 127.A N GLN 105.A O no hydrogen 2.855 N/A ILE 129.A N PRO 102.A O no hydrogen 2.656 N/A GLN 135.A N GLN 135.A OE1 no hydrogen 2.424 N/A LEU 136.A N GLY 132.A O no hydrogen 3.442 N/A TRP 137.A N PHE 133.A O no hydrogen 2.886 N/A ARG 138.A N PHE 134.A O no hydrogen 3.030 N/A ALA 139.A N GLN 135.A O no hydrogen 2.774 N/A SER 140.A N LEU 136.A O no hydrogen 2.782 N/A SER 140.A OG LEU 136.A O no hydrogen 3.131 N/A SER 140.A OG TRP 137.A O no hydrogen 2.755 N/A GLY 141.A N ARG 138.A O no hydrogen 3.139 N/A ILE 142.A N TRP 137.A O no hydrogen 2.977 N/A THR 143.A N GLN 147.A OE1 no hydrogen 3.161 N/A TYR 149.A N GLU 145.A O no hydrogen 2.886 N/A THR 150.A N LEU 146.A O no hydrogen 2.919 N/A THR 150.A OG1 LEU 146.A O no hydrogen 3.414 N/A THR 150.A OG1 GLN 147.A O no hydrogen 2.600 N/A THR 151.A N GLN 147.A O no hydrogen 2.924 N/A THR 151.A OG1 GLN 147.A O no hydrogen 3.342 N/A THR 151.A OG1 LEU 148.A O no hydrogen 2.454 N/A ALA 152.A N LEU 148.A O no hydrogen 2.910 N/A ILE 153.A N TYR 149.A O no hydrogen 2.900 N/A GLY 154.A N THR 150.A O no hydrogen 3.337 N/A GLY 155.A N THR 151.A O no hydrogen 3.080 N/A LEU 156.A N ALA 152.A O no hydrogen 3.121 N/A VAL 157.A N ILE 153.A O no hydrogen 3.111 N/A MET 158.A N GLY 154.A O no hydrogen 2.900 N/A ALA 159.A N GLY 155.A O no hydrogen 2.902 N/A ALA 160.A N LEU 156.A O no hydrogen 2.971 N/A ALA 161.A N VAL 157.A O no hydrogen 2.890 N/A MET 162.A N MET 158.A O no hydrogen 2.911 N/A PHE 163.A N ALA 159.A O no hydrogen 2.964 N/A PHE 164.A N ALA 160.A O no hydrogen 2.944 N/A ALA 165.A N ALA 161.A O no hydrogen 2.891 N/A GLY 166.A N MET 162.A O no hydrogen 2.995 N/A TRP 167.A N PHE 163.A O no hydrogen 3.002 N/A PHE 168.A N PHE 164.A O no hydrogen 2.833 N/A HIS 169.A N ALA 165.A O no hydrogen 2.801 N/A TYR 170.A N TRP 167.A O no hydrogen 3.396 N/A HIS 171.A N TRP 167.A O no hydrogen 2.884 N/A HIS 171.A ND1 VAL 11.A O no hydrogen 2.930 N/A LYS 172.A N PHE 168.A O no hydrogen 2.886 N/A ALA 173.A N PHE 168.A O no hydrogen 3.063 N/A ALA 174.A N ASP 7.A O no hydrogen 3.117 N/A LYS 176.A N ALA 5.A O no hydrogen 2.976 N/A PHE 180.A N LYS 176.A O no hydrogen 3.359 N/A GLN 181.A N LEU 177.A O no hydrogen 3.044 N/A GLN 181.A N GLU 178.A O no hydrogen 2.812 N/A GLN 181.A NE2 THR 335.A O no hydrogen 3.091 N/A ASN 182.A N TRP 179.A O no hydrogen 2.713 N/A ASN 182.A ND2 TRP 179.A O no hydrogen 2.951 N/A VAL 183.A N GLN 181.A O no hydrogen 2.709 N/A SER 185.A OG ASN 182.A O no hydrogen 2.747 N/A MET 186.A N ASN 182.A O no hydrogen 2.993 N/A LEU 187.A N VAL 183.A O no hydrogen 2.901 N/A ASN 188.A N GLU 184.A O no hydrogen 2.938 N/A ASN 188.A ND2 TYR 301.A O no hydrogen 3.060 N/A HIS 189.A N SER 185.A O no hydrogen 2.912 N/A HIS 190.A N MET 186.A O no hydrogen 2.910 N/A LEU 191.A N LEU 187.A O no hydrogen 2.902 N/A GLY 192.A N ASN 188.A O no hydrogen 2.922 N/A GLY 193.A N HIS 189.A O no hydrogen 2.834 N/A LEU 194.A N HIS 189.A O no hydrogen 3.435 N/A LEU 195.A N HIS 190.A O no hydrogen 3.266 N/A GLY 196.A N LEU 191.A O no hydrogen 3.107 N/A LEU 197.A N GLY 192.A O no hydrogen 3.025 N/A SER 199.A N LEU 195.A O no hydrogen 2.918 N/A SER 199.A OG LEU 195.A O no hydrogen 2.942 N/A SER 199.A OG GLY 196.A O no hydrogen 3.180 N/A LEU 200.A N GLY 196.A O no hydrogen 2.924 N/A ALA 201.A N LEU 197.A O no hydrogen 2.909 N/A TRP 202.A N GLY 198.A O no hydrogen 2.920 N/A ALA 203.A N SER 199.A O no hydrogen 2.887 N/A GLY 204.A N LEU 200.A O no hydrogen 2.916 N/A HIS 205.A N ALA 201.A O no hydrogen 2.977 N/A HIS 205.A NE2 SER 140.A O no hydrogen 2.734 N/A GLN 206.A N TRP 202.A O no hydrogen 2.956 N/A ILE 207.A N ALA 203.A O no hydrogen 2.893 N/A HIS 208.A N GLY 204.A O no hydrogen 2.957 N/A VAL 209.A N HIS 205.A O no hydrogen 2.675 N/A SER 210.A N HIS 205.A O no hydrogen 3.063 N/A SER 210.A OG GLN 206.A O no hydrogen 2.636 N/A LEU 211.A N GLN 206.A O no hydrogen 2.849 N/A VAL 213.A N VAL 209.A O no hydrogen 3.440 N/A ASN 214.A N SER 210.A O no hydrogen 2.927 N/A ASN 214.A ND2 ARG 138.A O no hydrogen 3.467 N/A ASN 214.A ND2 SER 210.A O no hydrogen 2.519 N/A LYS 215.A N LEU 211.A O no hydrogen 3.267 N/A LYS 215.A N PRO 212.A O no hydrogen 3.009 N/A LEU 216.A N PRO 212.A O no hydrogen 3.265 N/A LEU 217.A N VAL 213.A O no hydrogen 3.094 N/A ASP 218.A N ASN 214.A O no hydrogen 2.889 N/A ALA 219.A N LYS 215.A O no hydrogen 2.694 N/A GLY 220.A N LEU 216.A O no hydrogen 3.109 N/A GLU 225.A N ASP 222.A O no hydrogen 2.842 N/A ILE 226.A N PRO 223.A O no hydrogen 3.118 N/A LEU 233.A N HIS 230.A O no hydrogen 2.703 N/A LEU 234.A N HIS 230.A O no hydrogen 3.126 N/A ASN 235.A N ASP 231.A O no hydrogen 2.894 N/A ALA 240.A N ARG 236.A O no hydrogen 2.593 N/A ASP 241.A N ALA 237.A O no hydrogen 3.033 N/A LEU 242.A N ILE 238.A O no hydrogen 3.223 N/A LEU 242.A N MET 239.A O no hydrogen 3.232 N/A TYR 243.A N MET 239.A O no hydrogen 2.876 N/A TYR 243.A OH LEU 211.A O no hydrogen 3.275 N/A SER 245.A N ASP 263.A OD2 no hydrogen 2.832 N/A SER 245.A OG ASP 263.A OD2 no hydrogen 2.550 N/A ALA 247.A N PRO 244.A O no hydrogen 3.127 N/A LYS 248.A N SER 245.A O no hydrogen 3.309 N/A GLY 249.A N PHE 246.A O no hydrogen 2.900 N/A ALA 251.A N LYS 248.A O no hydrogen 3.268 N/A PHE 254.A N ILE 250.A O no hydrogen 3.432 N/A THR 255.A N ALA 251.A O no hydrogen 3.016 N/A THR 255.A OG1 ALA 251.A O no hydrogen 2.696 N/A LEU 256.A N PHE 253.A O no hydrogen 3.348 N/A ASN 257.A N PRO 252.A O no hydrogen 2.772 N/A TRP 258.A NE1 PHE 253.A O no hydrogen 2.805 N/A GLU 260.A N ASN 257.A O no hydrogen 3.014 N/A TYR 261.A N TRP 258.A O no hydrogen 2.671 N/A TYR 261.A OH GLY 249.A O no hydrogen 2.905 N/A SER 262.A N SER 259.A O no hydrogen 3.219 N/A SER 262.A OG SER 259.A O no hydrogen 2.920 N/A PHE 264.A N TYR 261.A O no hydrogen 3.412 N/A LEU 265.A N TYR 261.A O no hydrogen 3.088 N/A THR 266.A OG1 SER 281.A OG no hydrogen 2.613 N/A THR 266.A OG1 ASP 282.A OD1 no hydrogen 2.628 N/A LYS 268.A N ASP 282.A OD1 no hydrogen 3.038 N/A GLY 269.A N ASP 282.A OD2 no hydrogen 2.770 N/A ASN 272.A N GLY 277.A O no hydrogen 2.755 N/A THR 275.A N ASN 272.A O no hydrogen 3.068 N/A THR 275.A OG1 ASN 272.A O no hydrogen 3.505 N/A GLY 276.A N ASN 272.A O no hydrogen 2.735 N/A LEU 278.A N PRO 364.A O no hydrogen 2.776 N/A SER 281.A OG THR 266.A OG1 no hydrogen 2.613 N/A THR 283.A N TRP 279.A O no hydrogen 3.294 N/A THR 283.A OG1 GLN 206.A OE1 no hydrogen 3.228 N/A THR 283.A OG1 LEU 280.A O no hydrogen 2.438 N/A ALA 284.A N LEU 280.A O no hydrogen 2.898 N/A HIS 285.A N SER 281.A O no hydrogen 3.090 N/A HIS 286.A N ASP 282.A O no hydrogen 2.874 N/A HIS 287.A N THR 283.A O no hydrogen 2.910 N/A VAL 288.A N ALA 284.A O no hydrogen 3.003 N/A ALA 289.A N HIS 285.A O no hydrogen 2.944 N/A ILE 290.A N HIS 286.A O no hydrogen 2.900 N/A ALA 291.A N HIS 287.A O no hydrogen 2.887 N/A VAL 292.A N VAL 288.A O no hydrogen 3.414 N/A LEU 293.A N ALA 289.A O no hydrogen 2.923 N/A PHE 294.A N ILE 290.A O no hydrogen 2.914 N/A LEU 295.A N ALA 291.A O no hydrogen 2.894 N/A VAL 296.A N VAL 292.A O no hydrogen 2.970 N/A ALA 297.A N LEU 293.A O no hydrogen 2.927 N/A GLY 298.A N PHE 294.A O no hydrogen 2.909 N/A HIS 299.A N VAL 296.A O no hydrogen 3.298 N/A TYR 301.A N ASN 188.A OD1 no hydrogen 3.244 N/A ARG 302.A N HIS 309.A O no hydrogen 2.697 N/A ARG 302.A NE GLY 308.A O no hydrogen 2.859 N/A ARG 302.A NH2 GLY 308.A O no hydrogen 3.350 N/A ARG 302.A NH2 GLU 313.A OE1 no hydrogen 3.144 N/A ASN 304.A ND2 VAL 2.A O no hydrogen 2.702 N/A HIS 309.A N MET 300.A O no hydrogen 2.934 N/A ILE 314.A N SER 310.A O no hydrogen 3.177 N/A LEU 315.A N MET 311.A O no hydrogen 2.927 N/A GLU 316.A N LYS 312.A O no hydrogen 2.870 N/A HIS 318.A N LEU 315.A O no hydrogen 3.314 N/A GLY 324.A N GLY 320.A O no hydrogen 3.228 N/A LEU 330.A N HIS 327.A O no hydrogen 3.184 N/A ILE 333.A N GLY 329.A O no hydrogen 3.339 N/A LEU 334.A N LEU 330.A O no hydrogen 2.858 N/A THR 335.A N GLU 332.A O no hydrogen 3.445 N/A THR 335.A OG1 TYR 331.A O no hydrogen 2.497 N/A THR 336.A N ILE 333.A O no hydrogen 2.942 N/A THR 336.A OG1 GLU 332.A O no hydrogen 2.555 N/A THR 336.A OG1 ILE 333.A O no hydrogen 2.931 N/A SER 337.A N ILE 333.A O no hydrogen 2.953 N/A SER 337.A OG ILE 333.A O no hydrogen 3.213 N/A HIS 339.A ND1 HIS 397.A ND1 no hydrogen 3.084 N/A HIS 339.A NE2 ASP 49.A OD2 no hydrogen 3.075 N/A GLN 341.A NE2 LEU 334.A O no hydrogen 3.181 N/A LEU 342.A N TRP 338.A O no hydrogen 2.773 N/A ALA 343.A N HIS 339.A O no hydrogen 2.703 N/A ILE 344.A N ALA 340.A O no hydrogen 2.977 N/A ASN 345.A N GLN 341.A O no hydrogen 2.896 N/A LEU 346.A N LEU 342.A O no hydrogen 2.897 N/A ALA 347.A N ALA 343.A O no hydrogen 3.378 N/A LEU 348.A N ILE 344.A O no hydrogen 3.195 N/A PHE 349.A N ASN 345.A O no hydrogen 2.744 N/A GLY 350.A N LEU 346.A O no hydrogen 2.934 N/A SER 351.A N ALA 347.A O no hydrogen 2.980 N/A SER 351.A OG ALA 347.A O no hydrogen 3.294 N/A SER 351.A OG LEU 348.A O no hydrogen 2.634 N/A LEU 352.A N LEU 348.A O no hydrogen 2.887 N/A SER 353.A N PHE 349.A O no hydrogen 2.907 N/A SER 353.A OG GLY 350.A O no hydrogen 2.796 N/A ILE 354.A N GLY 350.A O no hydrogen 3.344 N/A ILE 355.A N SER 351.A O no hydrogen 3.009 N/A VAL 356.A N LEU 352.A O no hydrogen 2.855 N/A ALA 357.A N SER 353.A O no hydrogen 2.976 N/A HIS 358.A N ILE 354.A O no hydrogen 3.072 N/A HIS 359.A N ILE 355.A O no hydrogen 2.907 N/A MET 360.A N VAL 356.A O no hydrogen 2.889 N/A TYR 361.A N ALA 357.A O no hydrogen 2.648 N/A ALA 362.A N HIS 358.A O no hydrogen 2.731 N/A MET 363.A N HIS 359.A O no hydrogen 2.970 N/A TYR 368.A N THR 275.A O no hydrogen 2.983 N/A ASP 372.A N LEU 369.A O no hydrogen 2.957 N/A TYR 373.A OH VAL 510.A O no hydrogen 2.626 N/A GLN 376.A N ASP 372.A O no hydrogen 3.103 N/A LEU 377.A N TYR 373.A O no hydrogen 2.941 N/A SER 378.A N GLY 374.A O no hydrogen 2.924 N/A SER 378.A OG THR 130.A O no hydrogen 2.512 N/A SER 378.A OG THR 130.A OG1 no hydrogen 3.277 N/A SER 378.A OG GLY 374.A O no hydrogen 3.025 N/A SER 378.A OG THR 375.A O no hydrogen 2.528 N/A LEU 379.A N THR 375.A O no hydrogen 2.860 N/A PHE 380.A N GLN 376.A O no hydrogen 3.227 N/A THR 381.A N LEU 377.A O no hydrogen 3.137 N/A THR 381.A OG1 LEU 377.A O no hydrogen 2.746 N/A HIS 382.A N SER 378.A O no hydrogen 2.872 N/A HIS 383.A N LEU 379.A O no hydrogen 2.959 N/A THR 384.A N PHE 380.A O no hydrogen 2.983 N/A THR 384.A OG1 PHE 380.A O no hydrogen 3.023 N/A THR 384.A OG1 THR 381.A O no hydrogen 2.350 N/A TRP 385.A N THR 381.A O no hydrogen 2.944 N/A ILE 386.A N HIS 382.A O no hydrogen 3.280 N/A GLY 387.A N HIS 383.A O no hydrogen 3.341 N/A GLY 388.A N THR 384.A O no hydrogen 3.156 N/A PHE 389.A N TRP 385.A O no hydrogen 2.965 N/A CYS 390.A N ILE 386.A O no hydrogen 2.966 N/A CYS 390.A SG ILE 386.A O no hydrogen 3.125 N/A ILE 391.A N GLY 387.A O no hydrogen 2.958 N/A VAL 392.A N GLY 388.A O no hydrogen 3.356 N/A GLY 393.A N PHE 389.A O no hydrogen 2.945 N/A ALA 394.A N CYS 390.A O no hydrogen 2.924 N/A GLY 395.A N ILE 391.A O no hydrogen 3.335 N/A ALA 396.A N VAL 392.A O no hydrogen 2.965 N/A HIS 397.A N GLY 393.A O no hydrogen 2.929 N/A HIS 397.A ND1 HIS 339.A ND1 no hydrogen 3.084 N/A ALA 398.A N ALA 394.A O no hydrogen 2.941 N/A ALA 399.A N GLY 395.A O no hydrogen 3.245 N/A ILE 400.A N ALA 396.A O no hydrogen 3.071 N/A PHE 401.A N HIS 397.A O no hydrogen 2.747 N/A MET 402.A N ALA 398.A O no hydrogen 2.945 N/A VAL 403.A N ALA 399.A O no hydrogen 2.921 N/A ARG 404.A N ILE 400.A O no hydrogen 2.921 N/A ARG 404.A NH1 ASP 47.A OD1 no hydrogen 3.231 N/A ARG 404.A NH1 ASP 47.A OD2 no hydrogen 3.232 N/A ARG 404.A NH1 ASP 49.A OD2 no hydrogen 3.092 N/A ASP 405.A N PHE 401.A O no hydrogen 2.897 N/A TYR 406.A N PHE 401.A O no hydrogen 3.279 N/A TYR 406.A OH ASP 417.A OD1 no hydrogen 2.715 N/A ASN 411.A N ASP 407.A O no hydrogen 2.770 N/A ASP 417.A N ASN 413.A O no hydrogen 3.263 N/A ARG 418.A N ASN 414.A O no hydrogen 2.554 N/A ARG 418.A NH1 PHE 322.A O no hydrogen 2.701 N/A VAL 419.A N LEU 415.A O no hydrogen 2.930 N/A ILE 420.A N LEU 416.A O no hydrogen 2.919 N/A ARG 421.A N ASP 417.A O no hydrogen 2.937 N/A ARG 421.A N ARG 418.A O no hydrogen 3.185 N/A HIS 422.A N VAL 419.A O no hydrogen 3.353 N/A ILE 426.A N HIS 422.A O no hydrogen 3.485 N/A ILE 427.A N ARG 423.A O no hydrogen 2.962 N/A SER 428.A N ASP 424.A O no hydrogen 2.930 N/A SER 428.A OG ASP 424.A O no hydrogen 2.972 N/A SER 428.A OG ALA 425.A O no hydrogen 3.001 N/A HIS 429.A N ALA 425.A O no hydrogen 2.914 N/A LEU 430.A N ILE 426.A O no hydrogen 2.939 N/A ASN 431.A N ILE 427.A O no hydrogen 2.887 N/A TRP 432.A N SER 428.A O no hydrogen 2.942 N/A VAL 433.A N HIS 429.A O no hydrogen 2.934 N/A CYS 434.A N LEU 430.A O no hydrogen 3.156 N/A ILE 435.A N ASN 431.A O no hydrogen 2.985 N/A PHE 436.A N TRP 432.A O no hydrogen 2.909 N/A LEU 437.A N VAL 433.A O no hydrogen 2.848 N/A GLY 438.A N CYS 434.A O no hydrogen 2.902 N/A PHE 439.A N ILE 435.A O no hydrogen 2.958 N/A HIS 440.A N PHE 436.A O no hydrogen 3.091 N/A SER 441.A OG LEU 437.A O no hydrogen 2.588 N/A SER 441.A OG GLY 438.A O no hydrogen 3.360 N/A PHE 442.A N GLY 438.A O no hydrogen 3.044 N/A LEU 444.A N SER 441.A O no hydrogen 3.224 N/A TYR 445.A N PHE 442.A O no hydrogen 2.644 N/A TYR 445.A OH ALA 628.A O no hydrogen 3.314 N/A ILE 446.A N PHE 442.A O no hydrogen 2.942 N/A HIS 447.A N GLY 443.A O no hydrogen 2.882 N/A ASN 448.A N LEU 444.A O no hydrogen 2.987 N/A ASN 448.A ND2 PHE 461.A O no hydrogen 3.331 N/A ASN 448.A ND2 ASN 629.A O no hydrogen 2.799 N/A ASP 449.A N TYR 445.A O no hydrogen 2.885 N/A THR 450.A N ILE 446.A O no hydrogen 2.908 N/A THR 450.A OG1 ILE 446.A O no hydrogen 2.423 N/A THR 450.A OG1 HIS 447.A O no hydrogen 2.935 N/A MET 451.A N HIS 447.A O no hydrogen 2.925 N/A SER 452.A N ASN 448.A O no hydrogen 2.859 N/A SER 452.A OG ASN 448.A O no hydrogen 2.724 N/A SER 452.A OG ASP 449.A O no hydrogen 2.657 N/A ALA 453.A N ASP 449.A O no hydrogen 2.921 N/A LEU 454.A N THR 450.A O no hydrogen 2.883 N/A GLY 455.A N SER 452.A O no hydrogen 3.461 N/A ARG 456.A N MET 451.A O no hydrogen 2.787 N/A ASP 459.A N ARG 456.A O no hydrogen 3.089 N/A MET 460.A N PRO 457.A O no hydrogen 3.202 N/A PHE 461.A N ASN 448.A OD1 no hydrogen 2.658 N/A ILE 466.A N MET 460.A O no hydrogen 2.744 N/A GLN 467.A NE2 ASP 463.A O no hydrogen 2.688 N/A VAL 471.A N GLN 469.A O no hydrogen 2.868 N/A GLN 474.A N PRO 470.A O no hydrogen 2.938 N/A TRP 475.A N VAL 471.A O no hydrogen 2.901 N/A ILE 476.A N PHE 472.A O no hydrogen 2.943 N/A GLN 477.A N ALA 473.A O no hydrogen 2.879 N/A ASN 478.A N GLN 474.A O no hydrogen 2.888 N/A THR 479.A N TRP 475.A O no hydrogen 2.736 N/A THR 479.A OG1 TRP 475.A O no hydrogen 3.147 N/A THR 479.A OG1 ILE 476.A O no hydrogen 2.590 N/A HIS 480.A N ILE 476.A O no hydrogen 2.931 N/A PHE 481.A N GLN 477.A O no hydrogen 3.350 N/A LEU 482.A N ASN 478.A O no hydrogen 3.347 N/A GLN 485.A N LEU 482.A O no hydrogen 3.163 N/A LEU 486.A N ALA 483.A O no hydrogen 3.202 N/A THR 487.A N ALA 483.A O no hydrogen 3.185 N/A THR 487.A OG1 ALA 483.A O no hydrogen 3.501 N/A ALA 488.A N ALA 483.A O no hydrogen 2.926 N/A ALA 491.A N ALA 488.A O no hydrogen 3.058 N/A ALA 493.A N LYS 268.A O no hydrogen 2.716 N/A THR 495.A OG1 SER 496.A OG no hydrogen 3.348 N/A SER 496.A OG THR 495.A OG1 no hydrogen 3.348 N/A TRP 499.A N SER 496.A O no hydrogen 3.344 N/A GLY 500.A N SER 496.A O no hydrogen 3.232 N/A VAL 506.A N LYS 509.A O no hydrogen 2.896 N/A LYS 509.A N VAL 506.A O no hydrogen 2.998 N/A ALA 511.A N VAL 504.A O no hydrogen 3.293 N/A MET 512.A N VAL 504.A O no hydrogen 3.238 N/A ILE 515.A N THR 498.A O no hydrogen 3.498 N/A GLY 518.A N ASP 521.A OD2 no hydrogen 3.145 N/A THR 519.A N ASP 463.A OD1 no hydrogen 2.982 N/A THR 519.A OG1 ASP 463.A OD1 no hydrogen 2.910 N/A PHE 522.A N GLY 518.A O no hydrogen 3.118 N/A MET 523.A N THR 519.A O no hydrogen 2.930 N/A VAL 524.A N SER 520.A O no hydrogen 3.199 N/A HIS 525.A N ASP 521.A O no hydrogen 3.281 N/A HIS 526.A N PHE 522.A O no hydrogen 3.450 N/A ILE 527.A N MET 523.A O no hydrogen 2.954 N/A HIS 528.A N VAL 524.A O no hydrogen 2.892 N/A ALA 529.A N HIS 525.A O no hydrogen 2.889 N/A PHE 530.A N HIS 526.A O no hydrogen 2.988 N/A THR 531.A N ILE 527.A O no hydrogen 2.907 N/A THR 531.A OG1 ILE 527.A O no hydrogen 3.262 N/A THR 531.A OG1 HIS 528.A O no hydrogen 2.380 N/A ILE 532.A N HIS 528.A O no hydrogen 2.935 N/A HIS 533.A N ALA 529.A O no hydrogen 3.213 N/A HIS 533.A ND1 ALA 529.A O no hydrogen 2.664 N/A VAL 534.A N PHE 530.A O no hydrogen 2.916 N/A THR 535.A N THR 531.A O no hydrogen 2.961 N/A THR 535.A OG1 THR 531.A O no hydrogen 2.854 N/A THR 535.A OG1 ILE 532.A O no hydrogen 2.532 N/A VAL 536.A N ILE 532.A O no hydrogen 2.907 N/A LEU 537.A N HIS 533.A O no hydrogen 2.890 N/A ILE 538.A N VAL 534.A O no hydrogen 2.942 N/A LEU 539.A N THR 535.A O no hydrogen 3.000 N/A LEU 540.A N VAL 536.A O no hydrogen 2.866 N/A LYS 541.A N LEU 537.A O no hydrogen 2.940 N/A LYS 541.A NZ ASN 431.A OD1 no hydrogen 2.866 N/A GLY 542.A N ILE 538.A O no hydrogen 2.931 N/A VAL 543.A N LEU 539.A O no hydrogen 3.181 N/A LEU 544.A N LEU 540.A O no hydrogen 2.896 N/A PHE 545.A N LYS 541.A O no hydrogen 3.133 N/A ARG 547.A NH1 MET 402.A O no hydrogen 2.660 N/A SER 549.A N ILE 552.A O no hydrogen 2.916 N/A ARG 550.A NE ASP 424.A OD1 no hydrogen 3.414 N/A ARG 550.A NH2 ASP 424.A OD2 no hydrogen 3.398 N/A LEU 551.A N SER 549.A OG no hydrogen 3.149 N/A LYS 555.A NZ PHE 545.A O no hydrogen 3.204 N/A LYS 555.A NZ VAL 575.A O no hydrogen 3.194 N/A ALA 556.A N ARG 547.A O no hydrogen 2.645 N/A LEU 558.A N LYS 555.A O no hydrogen 2.908 N/A ARG 561.A NH1 ASP 44.A OD1 no hydrogen 3.217 N/A ASP 565.A N THR 572.A OG1 no hydrogen 3.235 N/A ARG 569.A NH2 ASP 565.A OD2 no hydrogen 2.708 N/A GLY 571.A N GLY 568.A O no hydrogen 2.712 N/A THR 572.A N GLY 566.A O no hydrogen 3.137 N/A THR 572.A OG1 GLY 566.A O no hydrogen 2.610 N/A SER 576.A N ASP 579.A OD2 no hydrogen 3.204 N/A SER 576.A OG PHE 562.A O no hydrogen 2.967 N/A SER 576.A OG ASP 579.A OD2 no hydrogen 2.354 N/A ASP 579.A N SER 576.A OG no hydrogen 3.294 N/A HIS 580.A N SER 576.A O no hydrogen 3.313 N/A HIS 580.A ND1 SER 576.A O no hydrogen 2.956 N/A VAL 581.A N ALA 577.A O no hydrogen 2.938 N/A PHE 582.A N TRP 578.A O no hydrogen 2.545 N/A LEU 583.A N ASP 579.A O no hydrogen 2.925 N/A GLY 584.A N HIS 580.A O no hydrogen 2.774 N/A LEU 585.A N VAL 581.A O no hydrogen 2.939 N/A LEU 585.A N PHE 582.A O no hydrogen 2.793 N/A TRP 587.A N LEU 583.A O no hydrogen 3.399 N/A MET 588.A N GLY 584.A O no hydrogen 2.869 N/A TYR 589.A N LEU 585.A O no hydrogen 2.908 N/A ASN 590.A N PHE 586.A O no hydrogen 2.936 N/A SER 591.A N TRP 587.A O no hydrogen 2.910 N/A SER 591.A OG MET 588.A O no hydrogen 2.735 N/A LEU 592.A N MET 588.A O no hydrogen 2.905 N/A SER 593.A N TYR 589.A O no hydrogen 2.903 N/A SER 593.A OG TYR 589.A O no hydrogen 2.580 N/A SER 593.A OG ASN 590.A O no hydrogen 2.370 N/A ILE 594.A N ASN 590.A O no hydrogen 3.135 N/A VAL 595.A N SER 591.A O no hydrogen 3.212 N/A ILE 596.A N LEU 592.A O no hydrogen 3.200 N/A PHE 597.A N SER 593.A O no hydrogen 3.285 N/A HIS 598.A N ILE 594.A O no hydrogen 2.746 N/A PHE 599.A N VAL 595.A O no hydrogen 2.625 N/A SER 600.A N ILE 596.A O no hydrogen 2.847 N/A SER 600.A OG ILE 596.A O no hydrogen 3.403 N/A SER 600.A OG PHE 597.A O no hydrogen 3.030 N/A TRP 601.A N PHE 597.A O no hydrogen 2.926 N/A LYS 602.A N HIS 598.A O no hydrogen 2.962 N/A LYS 602.A NZ SER 516.A O no hydrogen 2.906 N/A LYS 602.A NZ ASP 521.A OD1 no hydrogen 3.156 N/A LYS 602.A NZ ASP 521.A OD2 no hydrogen 3.126 N/A LYS 602.A NZ ASP 606.A OD2 no hydrogen 3.317 N/A MET 603.A N PHE 599.A O no hydrogen 2.924 N/A GLN 604.A N SER 600.A O no hydrogen 3.100 N/A SER 605.A N TRP 601.A O no hydrogen 2.953 N/A SER 605.A OG TRP 601.A O no hydrogen 2.848 N/A SER 605.A OG LYS 602.A O no hydrogen 3.306 N/A SER 605.A OG ASP 606.A OD1 no hydrogen 3.358 N/A ASP 606.A N LYS 602.A O no hydrogen 3.072 N/A TRP 608.A N MET 603.A O no hydrogen 2.706 N/A THR 610.A N SER 617.A O no hydrogen 2.916 N/A THR 610.A OG1 SER 617.A OG no hydrogen 2.602 N/A VAL 611.A N GLY 508.A O no hydrogen 3.074 N/A THR 612.A N GLY 615.A O no hydrogen 2.743 N/A SER 617.A N THR 610.A O no hydrogen 2.877 N/A SER 617.A OG THR 610.A O no hydrogen 3.320 N/A SER 617.A OG THR 610.A OG1 no hydrogen 2.602 N/A ILE 619.A N TRP 608.A O no hydrogen 2.951 N/A THR 620.A N GLN 604.A O no hydrogen 2.990 N/A GLY 622.A N SER 605.A O no hydrogen 3.033 N/A GLN 626.A N ASN 623.A O no hydrogen 3.070 N/A SER 627.A N ASN 623.A O no hydrogen 2.658 N/A SER 627.A N PHE 624.A O no hydrogen 2.973 N/A SER 627.A OG ASN 623.A O no hydrogen 2.301 N/A ALA 628.A N PHE 624.A O no hydrogen 2.834 N/A ASN 629.A ND2 ALA 625.A O no hydrogen 2.724 N/A THR 630.A OG1 SER 627.A O no hydrogen 3.494 N/A ILE 631.A N ASP 449.A OD2 no hydrogen 2.492 N/A GLY 633.A N THR 630.A O no hydrogen 3.161 N/A TRP 634.A N THR 630.A O no hydrogen 3.464 N/A LEU 635.A N ILE 631.A O no hydrogen 2.890 N/A ARG 636.A N ASN 632.A O no hydrogen 2.900 N/A ASP 637.A N GLY 633.A O no hydrogen 2.735 N/A PHE 638.A N GLY 633.A O no hydrogen 3.386 N/A PHE 638.A N TRP 634.A O no hydrogen 3.282 N/A LEU 639.A N TRP 634.A O no hydrogen 2.857 N/A TRP 640.A N LEU 635.A O no hydrogen 3.041 N/A ALA 641.A N ARG 636.A O no hydrogen 2.858 N/A GLN 642.A N PHE 638.A O no hydrogen 2.930 N/A SER 643.A N LEU 639.A O no hydrogen 2.916 N/A SER 643.A OG LEU 639.A O no hydrogen 2.741 N/A SER 643.A OG TRP 640.A O no hydrogen 2.904 N/A SER 644.A N ALA 641.A O no hydrogen 3.071 N/A SER 644.A OG ALA 641.A O no hydrogen 2.889 N/A SER 644.A OG GLN 645.A OE1 no hydrogen 2.743 N/A GLN 645.A N GLN 645.A OE1 no hydrogen 2.774 N/A ILE 647.A N SER 643.A O no hydrogen 2.950 N/A GLN 648.A N SER 644.A O no hydrogen 3.237 N/A SER 649.A N VAL 646.A O no hydrogen 3.392 N/A SER 649.A OG VAL 646.A O no hydrogen 2.584 N/A SER 652.A OG SER 649.A O no hydrogen 2.631 N/A LEU 654.A N SER 652.A OG no hydrogen 2.831 N/A TYR 657.A N LEU 654.A O no hydrogen 2.947 N/A LEU 659.A N SER 655.A O no hydrogen 2.953 N/A ILE 660.A N ALA 656.A O no hydrogen 2.885 N/A PHE 661.A N TYR 657.A O no hydrogen 2.787 N/A LEU 662.A N GLY 658.A O no hydrogen 2.983 N/A GLY 663.A N LEU 659.A O no hydrogen 2.900 N/A ALA 664.A N ILE 660.A O no hydrogen 2.884 N/A HIS 665.A N PHE 661.A O no hydrogen 3.469 N/A PHE 666.A N LEU 662.A O no hydrogen 2.838 N/A VAL 667.A N GLY 663.A O no hydrogen 2.935 N/A TRP 668.A N ALA 664.A O no hydrogen 2.943 N/A ALA 669.A N HIS 665.A O no hydrogen 2.949 N/A PHE 670.A N PHE 666.A O no hydrogen 2.863 N/A SER 671.A N VAL 667.A O no hydrogen 3.263 N/A SER 671.A N TRP 668.A O no hydrogen 3.110 N/A SER 671.A OG TRP 668.A O no hydrogen 2.585 N/A LEU 672.A N ALA 669.A O no hydrogen 2.975 N/A MET 673.A N PHE 670.A O no hydrogen 3.399 N/A LEU 675.A N SER 671.A O no hydrogen 2.954 N/A PHE 676.A N LEU 672.A O no hydrogen 2.894 N/A SER 677.A OG MET 673.A O no hydrogen 3.260 N/A TYR 681.A N GLY 678.A O no hydrogen 3.258 N/A TRP 682.A NE1 SER 677.A OG no hydrogen 2.711 N/A GLN 683.A N ARG 679.A O no hydrogen 2.870 N/A GLU 684.A N GLY 680.A O no hydrogen 3.360 N/A LEU 685.A N TYR 681.A O no hydrogen 2.957 N/A ILE 686.A N TRP 682.A O no hydrogen 2.759 N/A GLU 687.A N GLN 683.A O no hydrogen 2.885 N/A SER 688.A N GLU 684.A O no hydrogen 3.202 N/A SER 688.A OG LEU 685.A O no hydrogen 2.449 N/A ILE 689.A N LEU 685.A O no hydrogen 2.978 N/A VAL 690.A N ILE 686.A O no hydrogen 2.853 N/A TRP 691.A N GLU 687.A O no hydrogen 2.948 N/A ALA 692.A N SER 688.A O no hydrogen 3.030 N/A HIS 693.A N ILE 689.A O no hydrogen 2.940 N/A ASN 694.A N VAL 690.A O no hydrogen 2.875 N/A ASN 694.A ND2 VAL 690.A O no hydrogen 2.870 N/A LYS 695.A N TRP 691.A O no hydrogen 3.043 N/A LEU 696.A N HIS 693.A O no hydrogen 2.695 N/A LYS 697.A N ASN 694.A O no hydrogen 2.995 N/A VAL 698.A N HIS 693.A O no hydrogen 3.249 N/A GLN 703.A N ASN 33.A O no hydrogen 2.846 N/A ARG 705.A N THR 35.A OG1 no hydrogen 2.809 N/A SER 708.A OG THR 710.A OG1 no hydrogen 2.655 N/A THR 710.A OG1 SER 708.A OG no hydrogen 2.655 N/A GLN 711.A N SER 708.A OG no hydrogen 2.977 N/A GLY 712.A N SER 708.A O no hydrogen 2.816 N/A ARG 713.A N ILE 709.A O no hydrogen 2.975 N/A ARG 713.A NH1 PRO 563.A O no hydrogen 3.272 N/A ALA 714.A N THR 710.A O no hydrogen 2.861 N/A VAL 715.A N GLN 711.A O no hydrogen 2.852 N/A GLY 716.A N GLY 712.A O no hydrogen 2.939 N/A VAL 717.A N ARG 713.A O no hydrogen 2.903 N/A ALA 718.A N ALA 714.A O no hydrogen 2.904 N/A HIS 719.A N VAL 715.A O no hydrogen 2.932 N/A TYR 720.A N GLY 716.A O no hydrogen 2.908 N/A LEU 721.A N VAL 717.A O no hydrogen 2.908 N/A LEU 722.A N ALA 718.A O no hydrogen 2.907 N/A GLY 723.A N HIS 719.A O no hydrogen 2.913 N/A GLY 724.A N TYR 720.A O no hydrogen 3.089 N/A ILE 725.A N LEU 721.A O no hydrogen 2.816 N/A ALA 726.A N LEU 722.A O no hydrogen 2.933 N/A THR 727.A N GLY 723.A O no hydrogen 2.928 N/A THR 727.A OG1 GLY 724.A O no hydrogen 2.997 N/A THR 728.A N GLY 724.A O no hydrogen 3.210 N/A THR 728.A OG1 GLY 724.A O no hydrogen 3.487 N/A THR 728.A OG1 ILE 725.A O no hydrogen 2.397 N/A TRP 729.A N ILE 725.A O no hydrogen 2.859 N/A SER 730.A N ALA 726.A O no hydrogen 2.937 N/A SER 730.A OG ALA 726.A O no hydrogen 3.076 N/A SER 730.A OG THR 727.A O no hydrogen 2.730 N/A PHE 731.A N THR 727.A O no hydrogen 2.963 N/A PHE 732.A N THR 728.A O no hydrogen 3.037 N/A ALA 734.A N SER 730.A O no hydrogen 3.340 N/A ARG 735.A N PHE 731.A O no hydrogen 2.944 N/A ARG 735.A NH1 ARG 735.A O no hydrogen 3.178 N/A ILE 736.A N PHE 732.A O no hydrogen 2.636 N/A ILE 737.A N LEU 733.A O no hydrogen 2.914 N/A SER 738.A N ALA 734.A O no hydrogen 2.975 N/A SER 738.A OG ALA 734.A O no hydrogen 2.453 N/A SER 738.A OG ARG 735.A O no hydrogen 3.299 N/A