Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8f3n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ALA 3.A O no hydrogen 3.081 N/A GLY 7.A N ALA 3.A O no hydrogen 3.153 N/A GLU 8.A N VAL 4.A O no hydrogen 3.165 N/A LYS 9.A N GLU 5.A O no hydrogen 3.356 N/A THR 10.A N ALA 6.A O no hydrogen 2.922 N/A THR 10.A OG1 ALA 6.A O no hydrogen 2.906 N/A THR 10.A OG1 THR 107.A O no hydrogen 3.265 N/A VAL 11.A N GLY 7.A O no hydrogen 3.092 N/A GLU 12.A N GLU 8.A O no hydrogen 3.160 N/A GLN 13.A N LYS 9.A O no hydrogen 2.804 N/A GLN 13.A NE2 LYS 9.A O no hydrogen 3.344 N/A PHE 14.A N THR 10.A O no hydrogen 2.884 N/A VAL 15.A N VAL 11.A O no hydrogen 3.175 N/A GLN 16.A N GLU 12.A O no hydrogen 3.198 N/A ALA 17.A N GLN 13.A O no hydrogen 3.226 N/A LEU 18.A N PHE 14.A O no hydrogen 3.236 N/A ASN 19.A N VAL 15.A O no hydrogen 2.769 N/A LYS 20.A N GLN 16.A O no hydrogen 2.818 N/A GLY 21.A N LEU 18.A O no hydrogen 3.203 N/A ASP 22.A N ALA 17.A O no hydrogen 2.979 N/A LYS 25.A N ASP 22.A OD1 no hydrogen 3.240 N/A ALA 26.A N ASP 22.A O no hydrogen 3.389 N/A ALA 27.A N TYR 23.A O no hydrogen 2.913 N/A GLU 28.A N ASN 24.A O no hydrogen 3.027 N/A MET 29.A N ALA 26.A O no hydrogen 3.339 N/A THR 30.A N ALA 27.A O no hydrogen 3.329 N/A THR 30.A OG1 ALA 27.A O no hydrogen 2.811 N/A SER 31.A N ILE 109.A O no hydrogen 3.092 N/A SER 31.A OG SER 38.A OG no hydrogen 2.719 N/A SER 31.A OG ASN 110.A OD1 no hydrogen 2.979 N/A ALA 34.A N SER 38.A O no hydrogen 2.889 N/A LYS 37.A N ALA 34.A O no hydrogen 3.126 N/A SER 38.A N LYS 32.A O no hydrogen 3.324 N/A SER 38.A OG SER 31.A O no hydrogen 2.892 N/A SER 38.A OG SER 31.A OG no hydrogen 2.719 N/A SER 38.A OG ILE 109.A O no hydrogen 3.274 N/A ALA 39.A N TRP 111.A O no hydrogen 2.933 N/A SER 41.A N GLU 44.A OE1 no hydrogen 2.940 N/A SER 41.A OG GLU 44.A OE1 no hydrogen 3.288 N/A GLU 44.A N SER 41.A OG no hydrogen 3.274 N/A ILE 45.A N SER 41.A O no hydrogen 2.880 N/A LEU 46.A N GLU 42.A O no hydrogen 2.987 N/A ASP 47.A N LYS 43.A O no hydrogen 2.995 N/A LYS 48.A N GLU 44.A O no hydrogen 3.180 N/A LYS 48.A N ILE 45.A O no hydrogen 3.253 N/A TYR 49.A N ILE 45.A O no hydrogen 3.090 N/A TYR 49.A OH LEU 115.A O no hydrogen 2.866 N/A GLN 50.A N LEU 46.A O no hydrogen 3.028 N/A ASN 51.A N ASP 47.A O no hydrogen 3.326 N/A ILE 52.A N LYS 48.A O no hydrogen 2.946 N/A TYR 53.A N TYR 49.A O no hydrogen 2.856 N/A TYR 53.A OH VAL 116.A O no hydrogen 2.920 N/A GLY 54.A N GLN 50.A O no hydrogen 3.249 N/A ALA 55.A N ASN 51.A O no hydrogen 2.947 N/A ALA 56.A N ILE 52.A O no hydrogen 3.185 N/A VAL 58.A N TYR 53.A O no hydrogen 2.876 N/A LYS 59.A N ASN 85.A O no hydrogen 2.925 N/A GLN 62.A N LYS 83.A O no hydrogen 3.058 N/A SER 64.A N LYS 81.A O no hydrogen 2.698 N/A LYS 67.A N SER 79.A O no hydrogen 2.974 N/A ASP 69.A N SER 77.A O no hydrogen 2.957 N/A SER 74.A OG ARG 102.A O no hydrogen 3.406 N/A TYR 76.A N LEU 100.A O no hydrogen 3.126 N/A PHE 78.A N GLY 98.A O no hydrogen 2.822 N/A SER 79.A N LYS 67.A O no hydrogen 3.032 N/A TYR 80.A N TYR 96.A O no hydrogen 3.169 N/A LYS 81.A N SER 64.A O no hydrogen 2.847 N/A LYS 81.A NZ SER 95.A OG no hydrogen 3.300 N/A ALA 82.A N LEU 94.A O no hydrogen 3.037 N/A LYS 83.A N GLN 62.A O no hydrogen 2.874 N/A MET 84.A N LEU 91.A O no hydrogen 2.996 N/A ASN 85.A N LYS 59.A O no hydrogen 3.110 N/A ASN 85.A ND2 GLU 253.A OE1 no hydrogen 3.165 N/A THR 86.A N GLY 89.A O no hydrogen 2.715 N/A THR 86.A OG1 GLY 89.A O no hydrogen 2.954 N/A SER 87.A N ALA 56.A O no hydrogen 2.828 N/A SER 87.A OG ALA 56.A O no hydrogen 2.963 N/A SER 87.A OG ASP 57.A OD2 no hydrogen 3.115 N/A LEU 88.A N THR 86.A OG1 no hydrogen 3.360 N/A GLY 89.A N THR 86.A O no hydrogen 3.361 N/A LEU 91.A N MET 84.A O no hydrogen 2.606 N/A LEU 94.A N ALA 82.A O no hydrogen 3.139 N/A TYR 96.A N TYR 80.A O no hydrogen 2.980 N/A TYR 96.A OH VAL 116.A O no hydrogen 2.998 N/A GLY 98.A N PHE 78.A O no hydrogen 3.140 N/A LEU 100.A N TYR 76.A O no hydrogen 2.396 N/A ASP 101.A N THR 108.A O no hydrogen 2.903 N/A ARG 102.A N SER 74.A O no hydrogen 3.037 N/A THR 108.A N ASP 101.A O no hydrogen 2.916 N/A ILE 109.A N MET 29.A O no hydrogen 3.015 N/A ASN 110.A N THR 99.A O no hydrogen 2.972 N/A ASN 110.A ND2 THR 99.A OG1 no hydrogen 3.029 N/A TRP 111.A N SER 38.A OG no hydrogen 3.256 N/A TRP 111.A NE1 TYR 49.A OH no hydrogen 3.277 N/A ASN 114.A ND2 LYS 97.A O no hydrogen 2.880 N/A LEU 115.A N GLN 112.A O no hydrogen 3.016 N/A VAL 116.A N PRO 113.A O no hydrogen 3.208 N/A MET 120.A N PHE 117.A O no hydrogen 3.235 N/A GLU 121.A N ASP 124.A OD2 no hydrogen 2.728 N/A LYS 125.A N THR 284.A O no hydrogen 3.107 N/A LYS 125.A NZ ALA 286.A O no hydrogen 3.403 N/A SER 127.A N SER 282.A O no hydrogen 3.083 N/A SER 127.A OG SER 282.A OG no hydrogen 3.081 N/A THR 129.A N LYS 280.A O no hydrogen 3.017 N/A GLN 131.A N GLY 278.A O no hydrogen 2.677 N/A ALA 134.A N ASN 301.A OD1 no hydrogen 3.193 N/A GLY 136.A N LEU 273.A O no hydrogen 2.584 N/A ASN 137.A N ASP 304.A OD1 no hydrogen 2.895 N/A ILE 138.A N ALA 147.A O no hydrogen 2.796 N/A ILE 139.A N ILE 305.A O no hydrogen 2.790 N/A ASP 140.A N GLU 144.A O no hydrogen 3.007 N/A ARG 141.A N ILE 309.A O no hydrogen 2.946 N/A ARG 141.A NH1 THR 308.A O no hydrogen 2.750 N/A ARG 141.A NH1 ASP 337.A OD2 no hydrogen 3.114 N/A ARG 141.A NH2 ASP 337.A OD2 no hydrogen 3.390 N/A ASN 142.A N ASP 140.A OD1 no hydrogen 3.171 N/A GLY 143.A N ASP 140.A O no hydrogen 3.354 N/A GLU 144.A N ASP 140.A OD1 no hydrogen 2.427 N/A LEU 146.A N ILE 138.A O no hydrogen 2.793 N/A ALA 147.A N ILE 138.A O no hydrogen 3.004 N/A THR 148.A N TYR 226.A O no hydrogen 3.021 N/A GLY 150.A N GLY 224.A O no hydrogen 3.104 N/A LEU 152.A N VAL 222.A O no hydrogen 2.851 N/A GLN 154.A N GLN 220.A O no hydrogen 2.977 N/A LEU 155.A N LYS 204.A O no hydrogen 2.649 N/A GLY 156.A N THR 218.A O no hydrogen 3.076 N/A VAL 157.A N VAL 201.A O no hydrogen 3.048 N/A VAL 158.A N GLY 216.A O no hydrogen 3.159 N/A SER 160.A N PRO 197.A O no hydrogen 3.175 N/A LYS 161.A N VAL 158.A O no hydrogen 3.195 N/A THR 169.A OG1 GLY 165.A O no hydrogen 3.299 N/A THR 169.A OG1 GLY 166.A O no hydrogen 2.919 N/A ILE 172.A N LYS 168.A O no hydrogen 3.179 N/A ALA 174.A N ALA 170.A O no hydrogen 2.981 N/A ILE 175.A N ASN 171.A O no hydrogen 2.614 N/A SER 177.A OG LYS 173.A O no hydrogen 3.174 N/A SER 178.A OG ALA 174.A O no hydrogen 3.028 N/A LEU 181.A N ALA 176.A O no hydrogen 2.805 N/A ALA 185.A N THR 182.A O no hydrogen 2.885 N/A ILE 186.A N THR 182.A O no hydrogen 3.107 N/A ASN 187.A ND2 GLU 183.A O no hydrogen 3.132 N/A ALA 189.A N ALA 185.A O no hydrogen 2.945 N/A ALA 189.A N ILE 186.A O no hydrogen 3.133 N/A ILE 190.A N ILE 186.A O no hydrogen 3.214 N/A SER 191.A OG ASN 187.A O no hydrogen 2.395 N/A GLN 192.A NE2 ALA 189.A O no hydrogen 2.982 N/A VAL 195.A N GLN 192.A O no hydrogen 3.245 N/A VAL 201.A N VAL 157.A O no hydrogen 2.942 N/A LEU 203.A N LEU 155.A O no hydrogen 2.661 N/A ILE 206.A N LYS 153.A O no hydrogen 3.165 N/A THR 210.A OG1 PRO 211.A O no hydrogen 3.195 N/A ALA 217.A N PRO 214.A O no hydrogen 3.233 N/A THR 218.A N GLY 156.A O no hydrogen 2.849 N/A GLN 220.A N GLN 154.A O no hydrogen 3.112 N/A VAL 222.A N LEU 152.A O no hydrogen 3.125 N/A GLY 224.A N GLY 150.A O no hydrogen 3.077 N/A ARG 225.A NE GLU 266.A OE2 no hydrogen 2.871 N/A ARG 225.A NH1 GLY 136.A O no hydrogen 2.794 N/A ARG 225.A NH1 THR 149.A OG1 no hydrogen 3.399 N/A ARG 225.A NH2 GLY 136.A O no hydrogen 2.814 N/A ARG 225.A NH2 GLU 266.A OE1 no hydrogen 3.057 N/A ARG 225.A NH2 GLU 266.A OE2 no hydrogen 3.457 N/A TYR 226.A N THR 148.A O no hydrogen 2.657 N/A TYR 227.A N ASN 350.A OD1 no hydrogen 2.870 N/A TYR 227.A OH GLU 266.A OE2 no hydrogen 2.744 N/A GLY 230.A N TYR 227.A O no hydrogen 3.253 N/A ALA 232.A N LEU 229.A O no hydrogen 3.313 N/A ALA 233.A N GLY 230.A O no hydrogen 3.424 N/A ALA 234.A N GLU 231.A O no hydrogen 3.202 N/A GLN 235.A N GLN 235.A OE1 no hydrogen 2.807 N/A GLN 235.A NE2 PRO 371.A O no hydrogen 2.906 N/A ILE 237.A N ALA 233.A O no hydrogen 2.876 N/A GLY 238.A N ALA 234.A O no hydrogen 2.893 N/A GLY 241.A N ILE 260.A O no hydrogen 2.873 N/A THR 244.A N ASP 247.A OD2 no hydrogen 3.088 N/A THR 244.A OG1 GLU 246.A OE1 no hydrogen 3.456 N/A THR 244.A OG1 ASP 247.A OD2 no hydrogen 3.047 N/A GLU 246.A N GLU 246.A OE1 no hydrogen 2.655 N/A ASP 247.A N THR 244.A OG1 no hydrogen 3.265 N/A ILE 248.A N THR 244.A O no hydrogen 3.246 N/A ASP 249.A N ALA 245.A O no hydrogen 3.149 N/A LYS 250.A N GLU 246.A O no hydrogen 3.308 N/A ASN 251.A N ASP 247.A O no hydrogen 3.082 N/A ASN 251.A N ILE 248.A O no hydrogen 3.226 N/A LEU 254.A N ASN 251.A O no hydrogen 3.266 N/A GLY 258.A N SER 255.A O no hydrogen 2.981 N/A LYS 259.A NZ ASP 242.A OD1 no hydrogen 2.405 N/A ILE 260.A N GLY 241.A O no hydrogen 2.933 N/A GLY 261.A N ASP 270.A OD1 no hydrogen 2.930 N/A ARG 262.A N TYR 239.A O no hydrogen 2.907 N/A ARG 262.A NH1 ASP 247.A OD1 no hydrogen 3.474 N/A ARG 262.A NH1 ASP 247.A OD2 no hydrogen 3.276 N/A ARG 262.A NH2 ASP 242.A O no hydrogen 2.913 N/A ARG 262.A NH2 ASP 247.A OD2 no hydrogen 2.838 N/A LEU 265.A N LEU 236.A O no hydrogen 2.897 N/A GLU 266.A N ILE 237.A O no hydrogen 2.886 N/A MET 267.A N SER 263.A O no hydrogen 3.440 N/A ALA 268.A N GLY 264.A O no hydrogen 3.072 N/A PHE 269.A N LEU 265.A O no hydrogen 2.843 N/A ASP 270.A N MET 267.A O no hydrogen 3.348 N/A LEU 273.A N PHE 269.A O no hydrogen 3.009 N/A ARG 274.A N ASP 270.A O no hydrogen 2.902 N/A ARG 274.A NH1 ASP 270.A OD2 no hydrogen 2.754 N/A THR 276.A N GLN 300.A O no hydrogen 2.887 N/A THR 277.A OG1 GLU 253.A O no hydrogen 3.409 N/A GLY 278.A N GLN 131.A O no hydrogen 3.317 N/A GLY 279.A N HIS 297.A O no hydrogen 3.065 N/A LYS 280.A N THR 129.A O no hydrogen 2.909 N/A LYS 280.A NZ GLU 290.A OE2 no hydrogen 3.040 N/A LEU 281.A N ILE 295.A O no hydrogen 2.661 N/A SER 282.A N SER 127.A O no hydrogen 3.187 N/A SER 282.A OG SER 127.A OG no hydrogen 3.081 N/A ILE 283.A N LYS 292.A O no hydrogen 2.570 N/A THR 284.A N LYS 125.A O no hydrogen 2.821 N/A THR 284.A OG1 ASP 285.A O no hydrogen 3.233 N/A ASP 285.A N VAL 289.A O no hydrogen 2.872 N/A GLY 288.A N ASP 285.A O no hydrogen 3.223 N/A LYS 291.A N ILE 283.A O no hydrogen 3.027 N/A LYS 291.A NZ GLU 119.A O no hydrogen 3.341 N/A LYS 291.A NZ ASP 124.A OD2 no hydrogen 2.529 N/A LYS 292.A N ILE 283.A O no hydrogen 3.134 N/A LYS 292.A NZ GLU 119.A OE2 no hydrogen 3.550 N/A LEU 294.A N LEU 281.A O no hydrogen 2.708 N/A ILE 295.A N LEU 281.A O no hydrogen 3.021 N/A HIS 297.A N GLY 279.A O no hydrogen 3.234 N/A HIS 297.A NE2 LEU 88.A O no hydrogen 2.546 N/A GLN 300.A N THR 276.A O no hydrogen 3.312 N/A GLY 302.A N ALA 134.A O no hydrogen 2.888 N/A LYS 303.A N ASP 272.A O no hydrogen 2.766 N/A ILE 305.A N ASN 137.A O no hydrogen 2.802 N/A LEU 307.A N ILE 139.A O no hydrogen 2.766 N/A THR 308.A N LEU 531.A O no hydrogen 2.689 N/A THR 308.A OG1 LEU 338.A O no hydrogen 2.869 N/A THR 308.A OG1 LYS 530.A O no hydrogen 3.062 N/A THR 308.A OG1 LEU 531.A O no hydrogen 3.174 N/A ASP 310.A N LEU 339.A O no hydrogen 2.684 N/A ALA 311.A N ASP 140.A OD2 no hydrogen 3.390 N/A LYS 312.A N ASP 310.A OD1 no hydrogen 2.990 N/A GLN 314.A N ASP 310.A O no hydrogen 2.639 N/A GLN 314.A NE2 ALA 232.A O no hydrogen 2.589 N/A GLN 314.A NE2 LEU 341.A O no hydrogen 2.998 N/A LYS 315.A N ALA 311.A O no hydrogen 2.942 N/A LYS 315.A NZ ASP 319.A OD2 no hydrogen 2.736 N/A THR 316.A N LYS 312.A O no hydrogen 3.182 N/A THR 316.A OG1 LYS 312.A O no hydrogen 2.833 N/A ALA 317.A N ALA 313.A O no hydrogen 2.902 N/A PHE 318.A N GLN 314.A O no hydrogen 3.152 N/A ASP 319.A N LYS 315.A O no hydrogen 2.948 N/A SER 320.A N THR 316.A O no hydrogen 2.939 N/A SER 320.A OG THR 316.A O no hydrogen 3.038 N/A SER 320.A OG ARG 628.A O no hydrogen 3.426 N/A SER 320.A OG GLU 631.A OE1 no hydrogen 3.486 N/A LEU 321.A N PHE 318.A O no hydrogen 3.083 N/A GLY 322.A N ASP 319.A O no hydrogen 3.093 N/A LYS 324.A N LEU 321.A O no hydrogen 2.844 N/A LYS 324.A NZ GLU 620.A OE1 no hydrogen 3.155 N/A LYS 324.A NZ GLU 620.A OE2 no hydrogen 3.050 N/A GLY 326.A N SER 344.A O no hydrogen 2.811 N/A SER 327.A N MET 615.A O no hydrogen 3.064 N/A THR 328.A N ALA 342.A O no hydrogen 3.175 N/A THR 328.A OG1 SER 614.A OG no hydrogen 3.183 N/A VAL 329.A N VAL 613.A O no hydrogen 2.887 N/A ALA 330.A N ALA 340.A O no hydrogen 3.200 N/A THR 331.A N MET 611.A O no hydrogen 2.796 N/A THR 332.A N ASP 337.A O no hydrogen 3.123 N/A THR 332.A OG1 THR 332.A O no hydrogen 2.587 N/A THR 332.A OG1 THR 335.A OG1 no hydrogen 2.636 N/A LYS 334.A NZ ASN 607.A O no hydrogen 3.474 N/A THR 335.A N THR 332.A O no hydrogen 3.053 N/A THR 335.A OG1 THR 332.A O no hydrogen 3.470 N/A THR 335.A OG1 THR 332.A OG1 no hydrogen 2.636 N/A THR 335.A OG1 ASP 337.A OD1 no hydrogen 2.491 N/A GLY 336.A N THR 332.A O no hydrogen 2.709 N/A ASP 337.A N THR 335.A OG1 no hydrogen 3.425 N/A LEU 338.A N LYS 530.A O no hydrogen 3.090 N/A LEU 339.A N ALA 330.A O no hydrogen 2.562 N/A ALA 340.A N ALA 330.A O no hydrogen 3.228 N/A LEU 341.A N GLN 314.A OE1 no hydrogen 2.629 N/A ALA 342.A N THR 328.A O no hydrogen 3.139 N/A SER 343.A OG ILE 373.A O no hydrogen 3.071 N/A SER 344.A N GLY 326.A O no hydrogen 2.891 N/A SER 344.A OG LYS 324.A O no hydrogen 2.803 N/A SER 346.A OG GLU 231.A O no hydrogen 2.801 N/A SER 346.A OG GLN 235.A OE1 no hydrogen 3.308 N/A SER 346.A OG TYR 347.A O no hydrogen 3.314 N/A ASP 348.A N TYR 364.A OH no hydrogen 3.207 N/A ASN 350.A ND2 TYR 227.A O no hydrogen 3.259 N/A LYS 351.A NZ ASP 360.A OD2 no hydrogen 2.932 N/A MET 352.A N ASP 348.A O no hydrogen 3.139 N/A THR 353.A N PRO 349.A O no hydrogen 3.013 N/A THR 353.A OG1 VAL 240.A O no hydrogen 2.776 N/A ASN 354.A N ASN 350.A O no hydrogen 3.064 N/A ASP 360.A N SER 357.A OG no hydrogen 3.228 N/A TYR 361.A N SER 357.A O no hydrogen 3.075 N/A LYS 362.A N GLN 358.A O no hydrogen 3.115 N/A ALA 363.A N GLU 359.A O no hydrogen 2.773 N/A TYR 364.A N ASP 360.A O no hydrogen 3.284 N/A GLU 365.A N TYR 361.A O no hydrogen 3.238 N/A GLU 366.A N LYS 362.A O no hydrogen 2.714 N/A GLU 369.A N ASN 367.A OD1 no hydrogen 2.862 N/A GLN 370.A N ASN 367.A O no hydrogen 3.135 N/A GLN 370.A NE2 GLU 365.A O no hydrogen 3.077 N/A GLN 370.A NE2 ASN 367.A O no hydrogen 2.780 N/A ILE 373.A N GLN 370.A O no hydrogen 3.398 N/A ARG 375.A N SER 343.A OG no hydrogen 3.101 N/A ARG 375.A NE GLU 617.A OE1 no hydrogen 2.932 N/A ARG 375.A NH1 GLU 369.A O no hydrogen 3.228 N/A ARG 375.A NH1 GLN 370.A O no hydrogen 3.198 N/A ARG 375.A NH2 GLU 369.A O no hydrogen 2.572 N/A ARG 375.A NH2 GLU 617.A OE2 no hydrogen 3.326 N/A ALA 377.A N SER 374.A O no hydrogen 3.092 N/A THR 378.A N ARG 375.A O no hydrogen 3.146 N/A THR 378.A OG1 SER 374.A O no hydrogen 3.053 N/A TYR 380.A N ILE 508.A O no hydrogen 3.093 N/A TYR 380.A OH GLU 617.A OE1 no hydrogen 2.862 N/A GLY 383.A N GLY 502.A O no hydrogen 2.871 N/A SER 384.A OG ASN 445.A OD1 no hydrogen 3.523 N/A THR 385.A OG1 PRO 382.A O no hydrogen 3.558 N/A PHE 386.A N GLY 383.A O no hydrogen 3.157 N/A LYS 387.A N SER 384.A O no hydrogen 3.110 N/A LYS 387.A NZ SER 384.A OG no hydrogen 3.347 N/A LYS 387.A NZ SER 443.A OG no hydrogen 2.929 N/A MET 388.A N THR 385.A O no hydrogen 3.252 N/A THR 390.A N PHE 386.A O no hydrogen 3.101 N/A THR 390.A OG1 PHE 386.A O no hydrogen 3.349 N/A THR 390.A OG1 GLY 500.A O no hydrogen 2.805 N/A ALA 391.A N LYS 387.A O no hydrogen 2.815 N/A ALA 392.A N MET 388.A O no hydrogen 2.997 N/A ILE 393.A N ILE 389.A O no hydrogen 2.886 N/A GLY 394.A N THR 390.A O no hydrogen 3.010 N/A LEU 395.A N ALA 391.A O no hydrogen 2.777 N/A ASP 396.A N ALA 392.A O no hydrogen 3.016 N/A ASN 397.A N ILE 393.A O no hydrogen 3.142 N/A THR 399.A N GLY 394.A O no hydrogen 2.864 N/A THR 399.A N ASN 397.A OD1 no hydrogen 3.205 N/A THR 399.A OG1 ASN 397.A OD1 no hydrogen 2.882 N/A ILE 400.A N GLY 394.A O no hydrogen 2.971 N/A GLU 404.A N ASP 401.A O no hydrogen 3.099 N/A LEU 406.A N VAL 434.A O no hydrogen 2.755 N/A THR 407.A OG1 GLN 433.A OE1 no hydrogen 3.337 N/A ILE 408.A N SER 432.A O no hydrogen 2.747 N/A TRP 413.A N VAL 424.A O no hydrogen 3.062 N/A SER 418.A OG ASP 416.A OD1 no hydrogen 2.315 N/A TRP 419.A N ASP 416.A O no hydrogen 3.232 N/A GLY 420.A N SER 417.A O no hydrogen 3.090 N/A TYR 422.A N TRP 419.A O no hydrogen 3.251 N/A TYR 422.A OH ASP 498.A OD1 no hydrogen 2.550 N/A TYR 422.A OH TYR 501.A OH no hydrogen 2.601 N/A VAL 424.A N TRP 413.A O no hydrogen 2.817 N/A THR 425.A OG1 LEU 411.A O no hydrogen 3.455 N/A ARG 426.A N LEU 411.A O no hydrogen 2.583 N/A ARG 426.A NE GLY 410.A O no hydrogen 2.769 N/A ARG 426.A NH1 VAL 431.A O no hydrogen 3.016 N/A ARG 426.A NH1 ASP 444.A OD2 no hydrogen 2.941 N/A ARG 426.A NH2 GLY 410.A O no hydrogen 2.654 N/A ASP 430.A N SER 428.A OG no hydrogen 3.273 N/A GLN 433.A NE2 SER 432.A OG no hydrogen 2.964 N/A VAL 434.A N LEU 406.A O no hydrogen 2.910 N/A THR 438.A OG1 ASP 435.A OD1 no hydrogen 2.692 N/A ALA 439.A N ASP 435.A O no hydrogen 2.892 N/A LEU 440.A N LEU 436.A O no hydrogen 3.011 N/A ILE 441.A N LYS 437.A O no hydrogen 3.104 N/A TYR 442.A N THR 438.A O no hydrogen 3.016 N/A ASP 444.A N ALA 439.A O no hydrogen 2.940 N/A TYR 447.A N ASP 444.A OD1 no hydrogen 3.093 N/A ALA 448.A N ASP 444.A O no hydrogen 3.386 N/A ALA 449.A N ASN 445.A O no hydrogen 2.826 N/A GLN 450.A N ILE 446.A O no hydrogen 2.891 N/A GLU 451.A N TYR 447.A O no hydrogen 3.008 N/A THR 452.A N ALA 448.A O no hydrogen 2.980 N/A THR 452.A OG1 ALA 448.A O no hydrogen 2.573 N/A LEU 453.A N ALA 449.A O no hydrogen 3.029 N/A LYS 454.A N GLN 450.A O no hydrogen 2.905 N/A LYS 454.A NZ THR 399.A O no hydrogen 3.305 N/A MET 455.A N GLU 451.A O no hydrogen 2.865 N/A GLY 456.A N THR 452.A O no hydrogen 2.927 N/A PHE 460.A N GLY 456.A O no hydrogen 2.915 N/A ARG 461.A N GLU 457.A O no hydrogen 2.879 N/A ARG 461.A NH1 GLU 457.A OE2 no hydrogen 3.048 N/A ARG 461.A NH2 SER 485.A OG no hydrogen 3.058 N/A ARG 461.A NH2 GLU 487.A O no hydrogen 3.501 N/A THR 462.A N LYS 458.A O no hydrogen 3.012 N/A THR 462.A OG1 LYS 458.A O no hydrogen 2.654 N/A GLY 463.A N LYS 459.A O no hydrogen 3.423 N/A LEU 464.A N PHE 460.A O no hydrogen 3.059 N/A ASP 465.A N ARG 461.A O no hydrogen 2.848 N/A LYS 466.A NZ THR 462.A O no hydrogen 3.322 N/A PHE 467.A N LEU 464.A O no hydrogen 3.038 N/A GLY 470.A N ALA 482.A O no hydrogen 2.879 N/A GLU 471.A N ILE 468.A O no hydrogen 3.262 N/A LEU 475.A N LEU 473.A O no hydrogen 2.885 N/A GLN 483.A N LEU 507.A O no hydrogen 3.198 N/A GLN 483.A NE2 ASN 486.A OD1 no hydrogen 2.948 N/A GLN 483.A NE2 GLU 505.A O no hydrogen 2.736 N/A SER 485.A OG GLU 487.A O no hydrogen 2.505 N/A ASN 486.A N GLU 505.A OE1 no hydrogen 2.683 N/A SER 489.A OG GLU 457.A OE2 no hydrogen 3.472 N/A PHE 490.A N GLU 457.A OE2 no hydrogen 2.783 N/A LEU 495.A N SER 492.A OG no hydrogen 3.223 N/A LEU 496.A N SER 492.A O no hydrogen 3.057 N/A ALA 497.A N ASP 493.A O no hydrogen 3.083 N/A ASP 498.A N ILE 494.A O no hydrogen 2.839 N/A THR 499.A N LEU 495.A O no hydrogen 2.945 N/A THR 499.A OG1 LEU 495.A O no hydrogen 2.806 N/A GLY 500.A N LEU 496.A O no hydrogen 3.169 N/A GLY 502.A N THR 499.A O no hydrogen 3.108 N/A GLN 503.A N ASP 498.A O no hydrogen 2.868 N/A GLN 503.A NE2 GLU 585.A O no hydrogen 2.981 N/A LEU 507.A N GLN 483.A O no hydrogen 3.332 N/A ILE 508.A N TYR 380.A O no hydrogen 2.804 N/A ASN 509.A N GLN 512.A OE1 no hydrogen 3.261 N/A ILE 511.A N PHE 376.A O no hydrogen 3.339 N/A GLN 512.A N ASN 509.A OD1 no hydrogen 2.578 N/A GLN 512.A NE2 ASN 480.A O no hydrogen 2.993 N/A GLN 513.A N ASN 509.A O no hydrogen 2.859 N/A GLN 513.A NE2 ILE 508.A O no hydrogen 3.025 N/A ALA 514.A N PRO 510.A O no hydrogen 3.072 N/A ALA 515.A N ILE 511.A O no hydrogen 3.117 N/A MET 516.A N GLN 512.A O no hydrogen 2.941 N/A TYR 517.A N GLN 513.A O no hydrogen 2.833 N/A SER 518.A OG ALA 515.A O no hydrogen 2.676 N/A VAL 519.A N MET 516.A O no hydrogen 3.466 N/A PHE 520.A N TYR 517.A O no hydrogen 3.287 N/A ALA 521.A N SER 518.A O no hydrogen 3.048 N/A ASN 522.A N VAL 519.A O no hydrogen 3.353 N/A ASN 522.A ND2 PRO 333.A O no hydrogen 3.027 N/A ASN 522.A ND2 SER 518.A O no hydrogen 2.902 N/A GLY 524.A N VAL 519.A O no hydrogen 2.746 N/A THR 525.A N ASN 522.A O no hydrogen 3.140 N/A LEU 526.A N LYS 540.A O no hydrogen 2.963 N/A VAL 527.A N SER 518.A OG no hydrogen 3.139 N/A TYR 528.A N LYS 538.A O no hydrogen 2.967 N/A TYR 528.A OH GLU 471.A OE1 no hydrogen 2.622 N/A LYS 530.A N GLY 336.A O no hydrogen 2.815 N/A LYS 530.A NZ LYS 535.A O no hydrogen 2.833 N/A ALA 533.A N LYS 306.A O no hydrogen 3.096 N/A LYS 535.A N ILE 532.A O no hydrogen 3.492 N/A LYS 540.A NZ LYS 466.A O no hydrogen 3.114 N/A LYS 540.A NZ PHE 467.A O no hydrogen 2.860 N/A LYS 540.A NZ GLU 471.A OE2 no hydrogen 2.974 N/A LYS 541.A NZ ASP 539.A OD1 no hydrogen 2.743 N/A VAL 543.A N GLY 524.A O no hydrogen 2.974 N/A ILE 544.A N GLY 524.A O no hydrogen 3.386 N/A GLY 545.A N ASP 396.A OD1 no hydrogen 3.325 N/A GLY 545.A N ASP 396.A OD2 no hydrogen 3.060 N/A VAL 549.A N GLY 545.A O no hydrogen 3.251 N/A GLN 550.A N GLU 546.A O no hydrogen 3.016 N/A THR 551.A N ALA 548.A O no hydrogen 3.203 N/A THR 551.A OG1 THR 547.A O no hydrogen 2.819 N/A ILE 552.A N ALA 548.A O no hydrogen 2.964 N/A VAL 553.A N VAL 549.A O no hydrogen 3.128 N/A LEU 556.A N ILE 552.A O no hydrogen 2.757 N/A ARG 557.A N VAL 553.A O no hydrogen 3.006 N/A ARG 557.A NH1 ASP 606.A OD1 no hydrogen 3.062 N/A ARG 557.A NH2 ASP 606.A OD1 no hydrogen 2.768 N/A GLU 558.A N PRO 554.A O no hydrogen 3.414 N/A VAL 559.A N ASP 555.A O no hydrogen 3.120 N/A VAL 560.A N ARG 557.A O no hydrogen 3.099 N/A GLN 561.A N ARG 557.A O no hydrogen 2.926 N/A ASP 562.A N GLU 558.A O no hydrogen 2.843 N/A ASN 564.A N ASP 562.A OD1 no hydrogen 2.807 N/A ASN 564.A ND2 TYR 442.A OH no hydrogen 2.995 N/A GLY 565.A N ASP 562.A O no hydrogen 3.013 N/A THR 566.A N ILE 441.A O no hydrogen 3.388 N/A THR 566.A OG1 THR 581.A OG1 no hydrogen 2.643 N/A ALA 567.A N VAL 559.A O no hydrogen 3.151 N/A HIS 568.A N GLY 565.A O no hydrogen 3.081 N/A HIS 568.A ND1 VAL 560.A O no hydrogen 3.101 N/A LEU 570.A N ALA 567.A O no hydrogen 3.096 N/A SER 571.A N HIS 568.A O no hydrogen 3.108 N/A SER 571.A OG HIS 568.A O no hydrogen 2.669 N/A LEU 573.A N LEU 570.A O no hydrogen 3.099 N/A GLY 574.A N SER 571.A O no hydrogen 3.219 N/A ALA 578.A N PHE 603.A O no hydrogen 3.082 N/A ALA 579.A N LEU 556.A O no hydrogen 3.119 N/A LYS 580.A N PHE 601.A O no hydrogen 2.992 N/A LYS 580.A NZ SER 443.A OG no hydrogen 2.966 N/A LYS 580.A NZ THR 581.A O no hydrogen 2.929 N/A THR 581.A OG1 THR 566.A OG1 no hydrogen 2.643 N/A GLY 582.A N PHE 599.A O no hydrogen 3.099 N/A ALA 584.A N ASN 597.A O no hydrogen 2.806 N/A GLU 585.A N GLN 503.A OE1 no hydrogen 2.867 N/A ILE 586.A N LYS 595.A O no hydrogen 2.785 N/A LYS 589.A NZ GLN 590.A OE1 no hydrogen 2.725 N/A LYS 595.A N ILE 586.A O no hydrogen 3.161 N/A ASN 597.A N ALA 584.A O no hydrogen 2.748 N/A SER 598.A N LEU 616.A O no hydrogen 2.990 N/A PHE 599.A N GLY 582.A O no hydrogen 2.652 N/A LEU 600.A N SER 614.A O no hydrogen 2.865 N/A PHE 601.A N LYS 580.A O no hydrogen 3.163 N/A ALA 602.A N MET 612.A O no hydrogen 2.920 N/A PHE 603.A N ALA 578.A O no hydrogen 3.119 N/A ASN 604.A N TYR 610.A O no hydrogen 3.486 N/A ASP 606.A N ASN 604.A OD1 no hydrogen 2.865 N/A ASN 607.A N ASN 604.A OD1 no hydrogen 3.388 N/A GLN 608.A N ASN 604.A O no hydrogen 3.044 N/A GLY 609.A N ASN 607.A OD1 no hydrogen 2.835 N/A MET 611.A N THR 331.A O no hydrogen 2.651 N/A MET 612.A N ALA 602.A O no hydrogen 2.661 N/A VAL 613.A N VAL 329.A O no hydrogen 2.862 N/A SER 614.A N LEU 600.A O no hydrogen 2.916 N/A SER 614.A OG THR 328.A OG1 no hydrogen 3.183 N/A MET 615.A N SER 327.A O no hydrogen 2.831 N/A LEU 616.A N SER 598.A O no hydrogen 2.782 N/A GLU 617.A N ALA 325.A O no hydrogen 2.844 N/A ASN 618.A N ASN 597.A OD1 no hydrogen 2.800 N/A LYS 619.A N GLU 596.A O no hydrogen 3.052 N/A LYS 619.A NZ ASP 623.A O no hydrogen 3.064 N/A SER 624.A N ASP 623.A OD1 no hydrogen 2.905 N/A ALA 625.A N SER 598.A OG no hydrogen 3.272 N/A LYS 627.A N SER 624.A OG no hydrogen 3.308 N/A LYS 627.A NZ ASP 622.A O no hydrogen 2.762 N/A ARG 628.A N ALA 625.A O no hydrogen 3.203 N/A ARG 628.A NE ASP 623.A OD1 no hydrogen 3.021 N/A ARG 628.A NH1 SER 320.A O no hydrogen 3.077 N/A ARG 628.A NH2 ASP 623.A OD1 no hydrogen 3.260 N/A ARG 628.A NH2 ASP 623.A OD2 no hydrogen 2.927 N/A LEU 633.A N ALA 629.A O no hydrogen 2.835 N/A GLN 634.A N SER 630.A O no hydrogen 2.963 N/A TYR 635.A N GLU 631.A O no hydrogen 3.188 N/A TYR 635.A OH ASP 310.A OD1 no hydrogen 3.229 N/A TYR 635.A OH ASP 310.A OD2 no hydrogen 2.578 N/A LEU 636.A N LEU 632.A O no hydrogen 2.943 N/A ASN 637.A N LEU 633.A O no hydrogen 3.015 N/A GLN 638.A N GLN 634.A O no hydrogen 3.238 N/A ASN 639.A N TYR 635.A O no hydrogen 3.013 N/A ASN 639.A ND2 TYR 635.A O no hydrogen 3.363 N/A TYR 640.A N LEU 636.A O no hydrogen 3.068 N/A TYR 640.A OH ASP 310.A OD2 no hydrogen 2.398 N/A