Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2c6p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASN 1.A O no hydrogen 3.295 N/A LEU 6.A N MET 2.A O no hydrogen 2.959 N/A ASP 7.A N LYS 3.A O no hydrogen 2.904 N/A GLU 8.A N ALA 4.A O no hydrogen 3.274 N/A LEU 9.A N LEU 6.A O no hydrogen 2.974 N/A LYS 10.A N GLU 333.A OE2 no hydrogen 2.716 N/A LYS 10.A NZ ASP 7.A O no hydrogen 3.320 N/A ASN 13.A N LYS 10.A O no hydrogen 3.173 N/A ASN 13.A ND2 GLU 333.A OE2 no hydrogen 3.042 N/A ILE 14.A N LYS 10.A O no hydrogen 3.363 N/A LYS 15.A N ALA 11.A O no hydrogen 3.040 N/A LYS 15.A NZ GLU 492.A OE2 no hydrogen 3.320 N/A LYS 16.A N GLU 12.A O no hydrogen 2.968 N/A PHE 17.A N ASN 13.A O no hydrogen 2.929 N/A LEU 18.A N ILE 14.A O no hydrogen 2.800 N/A TYR 19.A N LYS 15.A O no hydrogen 3.009 N/A ASN 20.A N LYS 16.A O no hydrogen 3.083 N/A PHE 21.A N PHE 17.A O no hydrogen 2.892 N/A PHE 21.A N LEU 18.A O no hydrogen 3.256 N/A THR 22.A N TYR 19.A O no hydrogen 3.302 N/A THR 22.A OG1 LEU 18.A O no hydrogen 2.522 N/A THR 22.A OG1 TYR 19.A O no hydrogen 3.143 N/A GLN 23.A NE2 TYR 19.A O no hydrogen 2.649 N/A HIS 26.A N SER 316.A OG no hydrogen 3.314 N/A HIS 26.A N VAL 318.A O no hydrogen 3.395 N/A THR 30.A N LEU 27.A O no hydrogen 3.189 N/A THR 30.A OG1 LEU 27.A O no hydrogen 2.705 N/A GLN 32.A N GLN 32.A OE1 no hydrogen 3.173 N/A PHE 34.A N THR 30.A O no hydrogen 3.119 N/A GLN 35.A N GLU 31.A O no hydrogen 2.895 N/A LEU 36.A N GLN 32.A O no hydrogen 3.115 N/A ALA 37.A N ASN 33.A O no hydrogen 3.140 N/A LYS 38.A N PHE 34.A O no hydrogen 3.052 N/A GLN 39.A N GLN 35.A O no hydrogen 2.941 N/A GLN 39.A NE2 ASN 20.A OD1 no hydrogen 2.855 N/A GLN 39.A NE2 GLN 43.A OE1 no hydrogen 2.821 N/A ILE 40.A N LEU 36.A O no hydrogen 2.887 N/A GLN 41.A N ALA 37.A O no hydrogen 2.835 N/A GLN 41.A NE2 VAL 52.A O no hydrogen 2.931 N/A SER 42.A N LYS 38.A O no hydrogen 3.038 N/A SER 42.A OG LYS 38.A O no hydrogen 3.257 N/A GLN 43.A N GLN 39.A O no hydrogen 2.904 N/A TRP 44.A N ILE 40.A O no hydrogen 2.841 N/A LYS 45.A N GLN 41.A O no hydrogen 3.087 N/A GLU 46.A N SER 42.A O no hydrogen 2.892 N/A PHE 47.A N GLN 43.A O no hydrogen 2.795 N/A GLY 48.A N LYS 45.A O no hydrogen 2.767 N/A LEU 49.A N TRP 44.A O no hydrogen 3.405 N/A ASP 50.A N THR 297.A O no hydrogen 2.869 N/A SER 51.A N THR 297.A O no hydrogen 3.420 N/A GLU 53.A N ILE 295.A O no hydrogen 2.965 N/A ALA 55.A N ASN 293.A O no hydrogen 3.003 N/A HIS 56.A NE2 GLU 220.A OE2 no hydrogen 3.067 N/A TYR 57.A N ILE 291.A O no hydrogen 3.231 N/A TYR 57.A OH GLU 373.A OE2 no hydrogen 2.698 N/A ASP 58.A N ALA 218.A O no hydrogen 2.835 N/A VAL 59.A N THR 289.A O no hydrogen 2.930 N/A LEU 60.A N ASP 210.A OD1 no hydrogen 2.954 N/A LEU 61.A N GLU 287.A O no hydrogen 3.073 N/A TYR 63.A N THR 285.A O no hydrogen 3.018 N/A TYR 63.A OH ALA 28.A O no hydrogen 2.603 N/A THR 67.A N ASN 65.A OD1 no hydrogen 3.276 N/A ASN 70.A ND2 SER 284.A OG no hydrogen 3.058 N/A TYR 71.A N HIS 281.A O no hydrogen 3.022 N/A TYR 71.A OH GLU 81.A OE1 no hydrogen 2.970 N/A ILE 72.A N THR 85.A OG1 no hydrogen 2.981 N/A SER 73.A OG PHE 83.A O no hydrogen 3.362 N/A SER 73.A OG ASN 84.A OD1 no hydrogen 2.814 N/A ILE 74.A N PHE 83.A O no hydrogen 3.085 N/A GLY 79.A N ASN 76.A O no hydrogen 3.431 N/A ASN 80.A N ASN 76.A OD1 no hydrogen 2.928 N/A ILE 82.A N ILE 74.A O no hydrogen 3.053 N/A THR 85.A N ILE 72.A O no hydrogen 3.047 N/A THR 85.A OG1 ILE 72.A O no hydrogen 3.271 N/A SER 86.A N ASP 245.A OD2 no hydrogen 2.684 N/A SER 86.A OG ASP 245.A OD2 no hydrogen 3.167 N/A TYR 95.A N PRO 92.A O no hydrogen 3.240 N/A TYR 95.A OH GLU 489.A OE1 no hydrogen 2.411 N/A VAL 98.A N TYR 95.A O no hydrogen 2.935 N/A ALA 107.A N GLY 200.A O no hydrogen 3.223 N/A PHE 108.A N SER 62.A OG no hydrogen 3.090 N/A SER 109.A N SER 106.A O no hydrogen 3.230 N/A SER 109.A OG PRO 110.A O no hydrogen 2.722 N/A GLN 111.A NE2 SER 284.A O no hydrogen 3.224 N/A GLY 112.A N ILE 282.A O no hydrogen 2.555 N/A TYR 120.A N VAL 273.A O no hydrogen 3.199 N/A TYR 120.A OH TRP 263.A O no hydrogen 3.304 N/A VAL 121.A N ILE 146.A O no hydrogen 3.272 N/A ASN 122.A ND2 ASP 128.A OD1 no hydrogen 3.142 N/A ASN 122.A ND2 SER 262.A O no hydrogen 3.570 N/A TYR 123.A OH ASP 177.A OD1 no hydrogen 2.458 N/A TYR 123.A OH ASP 177.A OD2 no hydrogen 3.305 N/A ALA 124.A N VAL 121.A O no hydrogen 3.017 N/A ARG 125.A N ASP 128.A OD2 no hydrogen 3.357 N/A ARG 125.A NE ASP 128.A OD2 no hydrogen 2.979 N/A ARG 125.A NH2 ASP 128.A OD1 no hydrogen 3.495 N/A PHE 129.A N ARG 125.A O no hydrogen 3.097 N/A PHE 129.A N THR 126.A O no hydrogen 2.973 N/A PHE 130.A N THR 126.A O no hydrogen 2.914 N/A LYS 131.A N ASP 128.A O no hydrogen 3.326 N/A LEU 132.A N ASP 128.A O no hydrogen 3.418 N/A GLU 133.A N PHE 129.A O no hydrogen 2.954 N/A ARG 134.A N PHE 130.A O no hydrogen 3.255 N/A MET 136.A N LYS 131.A O no hydrogen 3.260 N/A ILE 138.A N LEU 132.A O no hydrogen 3.086 N/A GLY 142.A N GLY 165.A O no hydrogen 3.430 N/A LYS 143.A N CYS 140.A O no hydrogen 2.627 N/A ILE 144.A N ASP 117.A O no hydrogen 3.254 N/A ALA 147.A N ILE 170.A O no hydrogen 2.957 N/A ARG 148.A N ASN 122.A O no hydrogen 2.935 N/A ARG 148.A NE ASN 122.A OD1 no hydrogen 3.144 N/A ARG 148.A NH2 ASN 122.A OD1 no hydrogen 2.954 N/A TYR 149.A N TYR 172.A O no hydrogen 2.900 N/A TYR 149.A OH GLN 198.A O no hydrogen 2.793 N/A VAL 152.A N GLY 150.A O no hydrogen 2.740 N/A ARG 154.A NE GLN 198.A OE1 no hydrogen 3.348 N/A ARG 154.A NH1 ASN 201.A O no hydrogen 3.191 N/A ARG 154.A NH2 GLN 198.A OE1 no hydrogen 3.119 N/A ARG 154.A NH2 TYR 481.A OH no hydrogen 3.397 N/A ASN 156.A N PHE 153.A O no hydrogen 3.185 N/A LYS 157.A NZ TYR 123.A O no hydrogen 2.930 N/A LYS 157.A NZ ARG 148.A O no hydrogen 2.997 N/A LYS 157.A NZ GLY 150.A O no hydrogen 2.461 N/A VAL 158.A N ARG 154.A O no hydrogen 3.415 N/A LYS 159.A N GLY 155.A O no hydrogen 2.971 N/A ASN 160.A N ASN 156.A O no hydrogen 2.691 N/A ASN 160.A ND2 ALA 124.A O no hydrogen 2.943 N/A ALA 161.A N LYS 157.A O no hydrogen 3.001 N/A GLN 162.A N VAL 158.A O no hydrogen 2.835 N/A LEU 163.A N LYS 159.A O no hydrogen 2.973 N/A ALA 164.A N ASN 160.A O no hydrogen 3.209 N/A GLY 165.A N GLN 162.A O no hydrogen 3.020 N/A ALA 166.A N ALA 161.A O no hydrogen 3.260 N/A LYS 167.A N LYS 143.A O no hydrogen 2.997 N/A VAL 169.A N PRO 237.A O no hydrogen 2.865 N/A ILE 170.A N VAL 145.A O no hydrogen 3.021 N/A LEU 171.A N HIS 239.A O no hydrogen 2.830 N/A TYR 172.A N ALA 147.A O no hydrogen 3.104 N/A TYR 172.A OH ASP 174.A OD1 no hydrogen 2.640 N/A ALA 176.A N ASP 174.A OD2 no hydrogen 2.728 N/A ASP 177.A N ASP 174.A O no hydrogen 3.058 N/A TYR 178.A N ASP 174.A O no hydrogen 3.116 N/A ALA 180.A N ASN 191.A OD1 no hydrogen 2.830 N/A VAL 183.A N ALA 180.A O no hydrogen 3.439 N/A SER 185.A OG LEU 192.A O no hydrogen 3.489 N/A TYR 186.A N ASN 191.A O no hydrogen 3.038 N/A ASP 188.A N SER 185.A O no hydrogen 2.933 N/A GLY 189.A N SER 185.A O no hydrogen 3.003 N/A ASN 191.A N LYS 184.A O no hydrogen 3.262 N/A ASN 191.A ND2 ALA 180.A O no hydrogen 2.935 N/A ASN 191.A ND2 VAL 183.A O no hydrogen 2.855 N/A GLY 196.A N PRO 193.A O no hydrogen 3.186 N/A VAL 197.A N GLU 89.A OE2 no hydrogen 3.084 N/A GLN 198.A NE2 TYR 178.A OH no hydrogen 3.391 N/A ARG 199.A N HIS 482.A O no hydrogen 3.257 N/A ARG 199.A NE VAL 102.A O no hydrogen 3.366 N/A ARG 199.A NH1 GLU 89.A OE1 no hydrogen 2.787 N/A ARG 199.A NH1 HIS 482.A O no hydrogen 3.106 N/A ARG 199.A NH2 GLU 89.A OE1 no hydrogen 2.789 N/A ARG 199.A NH2 VAL 102.A O no hydrogen 2.836 N/A ASN 201.A ND2 GLU 361.A O no hydrogen 2.819 N/A ILE 202.A N ALA 107.A O no hydrogen 3.363 N/A LEU 203.A N ASN 201.A OD1 no hydrogen 3.215 N/A ASN 204.A N GLY 232.A O no hydrogen 3.035 N/A ASN 204.A ND2 GLY 155.A O no hydrogen 2.772 N/A ALA 208.A N LEU 205.A O no hydrogen 3.130 N/A ASP 210.A N GLU 369.A OE2 no hydrogen 3.077 N/A THR 213.A N ASP 210.A O no hydrogen 3.148 N/A THR 213.A OG1 ASP 210.A OD2 no hydrogen 2.640 N/A THR 213.A OG1 TYR 216.A O no hydrogen 3.446 N/A THR 213.A OG1 GLU 369.A OE1 no hydrogen 3.504 N/A GLY 215.A N GLU 372.A OE1 no hydrogen 2.824 N/A TYR 216.A N THR 213.A O no hydrogen 3.225 N/A ALA 218.A N GLU 369.A OE1 no hydrogen 2.645 N/A ASN 219.A N PRO 217.A O no hydrogen 2.823 N/A TYR 221.A N ASN 219.A OD1 no hydrogen 3.140 N/A ALA 222.A N ASN 219.A O no hydrogen 3.308 N/A ARG 224.A NH2 ASP 58.A O no hydrogen 3.032 N/A ARG 224.A NH2 ASN 219.A O no hydrogen 3.341 N/A ARG 225.A N LEU 212.A O no hydrogen 3.251 N/A ARG 225.A NH1 GLU 229.A O no hydrogen 3.020 N/A GLY 226.A N GLU 229.A OE1 no hydrogen 3.414 N/A GLU 229.A N GLY 226.A O no hydrogen 2.817 N/A ALA 230.A N ILE 227.A O no hydrogen 3.168 N/A VAL 231.A N PRO 211.A O no hydrogen 3.282 N/A SER 235.A N GLN 162.A OE1 no hydrogen 2.582 N/A SER 235.A OG GLN 162.A OE1 no hydrogen 2.789 N/A ILE 236.A N GLN 162.A OE1 no hydrogen 3.428 N/A VAL 238.A N SER 109.A OG no hydrogen 3.127 N/A HIS 239.A N VAL 169.A O no hydrogen 3.179 N/A ILE 241.A N LEU 171.A O no hydrogen 2.755 N/A TYR 243.A OH LEU 192.A O no hydrogen 2.660 N/A TYR 244.A N GLY 194.A O no hydrogen 3.210 N/A ALA 246.A N GLY 242.A O no hydrogen 3.159 N/A GLN 247.A N TYR 243.A O no hydrogen 2.930 N/A LEU 249.A N ASP 245.A O no hydrogen 3.437 N/A LEU 250.A N ALA 246.A O no hydrogen 2.890 N/A LEU 250.A N GLN 247.A O no hydrogen 3.095 N/A GLU 251.A N GLN 247.A O no hydrogen 3.031 N/A MET 253.A N LEU 250.A O no hydrogen 3.359 N/A GLY 254.A N GLY 276.A O no hydrogen 3.480 N/A SER 256.A N GLY 274.A O no hydrogen 3.169 N/A SER 262.A OG ASP 260.A OD1 no hydrogen 2.873 N/A TRP 263.A N ASP 260.A O no hydrogen 3.260 N/A SER 266.A N ASP 174.A OD2 no hydrogen 3.458 N/A LEU 267.A N TYR 271.A OH no hydrogen 2.976 N/A TYR 271.A OH ASP 174.A OD1 no hydrogen 2.657 N/A ASN 272.A ND2 MET 253.A O no hydrogen 2.634 N/A VAL 273.A N SER 256.A O no hydrogen 3.246 N/A LYS 279.A N SER 73.A O no hydrogen 2.950 N/A MET 280.A N PRO 114.A O no hydrogen 3.243 N/A HIS 281.A N TYR 71.A O no hydrogen 2.825 N/A ILE 282.A N GLY 112.A O no hydrogen 3.121 N/A THR 285.A N TYR 63.A O no hydrogen 2.941 N/A THR 285.A OG1 GLU 287.A OE2 no hydrogen 3.445 N/A GLU 287.A N LEU 61.A O no hydrogen 2.925 N/A THR 289.A N VAL 59.A O no hydrogen 2.774 N/A THR 289.A OG1 GLU 287.A O no hydrogen 2.659 N/A ARG 290.A NE ASP 58.A OD1 no hydrogen 3.019 N/A ARG 290.A NH2 ASP 58.A OD1 no hydrogen 3.369 N/A ARG 290.A NH2 ASP 58.A OD2 no hydrogen 3.005 N/A ILE 291.A N TYR 57.A O no hydrogen 2.937 N/A TYR 292.A N ASP 358.A OD2 no hydrogen 2.778 N/A ASN 293.A N ALA 55.A O no hydrogen 2.787 N/A ASN 293.A ND2 GLY 366.A O no hydrogen 2.969 N/A VAL 294.A N SER 356.A O no hydrogen 3.116 N/A ILE 295.A N GLU 53.A O no hydrogen 3.027 N/A GLY 296.A N PHE 354.A O no hydrogen 2.775 N/A THR 297.A N SER 51.A O no hydrogen 2.717 N/A LEU 298.A N ILE 352.A O no hydrogen 2.937 N/A ARG 299.A N ASP 50.A OD2 no hydrogen 3.009 N/A GLY 300.A N THR 351.A OG1 no hydrogen 3.079 N/A ALA 301.A N PRO 348.A O no hydrogen 2.817 N/A VAL 302.A N ARG 349.A O no hydrogen 3.349 N/A GLU 303.A N ARG 349.A O no hydrogen 2.987 N/A ARG 306.A N GLU 303.A O no hydrogen 3.225 N/A ARG 306.A NE ASP 593.A OD1 no hydrogen 3.302 N/A ARG 306.A NH1 ASP 305.A O no hydrogen 2.774 N/A ARG 306.A NH2 ASP 593.A OD1 no hydrogen 2.787 N/A ARG 306.A NH2 ASP 593.A OD2 no hydrogen 3.534 N/A TYR 307.A N ARG 381.A O no hydrogen 2.867 N/A VAL 308.A N THR 351.A O no hydrogen 2.802 N/A ILE 309.A N ALA 384.A O no hydrogen 2.855 N/A LEU 310.A N LEU 353.A O no hydrogen 2.978 N/A GLY 311.A N ILE 386.A O no hydrogen 2.995 N/A GLY 312.A N ALA 355.A O no hydrogen 3.173 N/A ARG 314.A N TRP 357.A O no hydrogen 2.921 N/A ARG 314.A NE ASN 33.A OD1 no hydrogen 3.252 N/A ARG 314.A NH1 TYR 292.A O no hydrogen 3.059 N/A ARG 314.A NH1 SER 356.A OG no hydrogen 2.991 N/A ARG 314.A NH2 TYR 292.A O no hydrogen 2.789 N/A SER 316.A N HIS 26.A O no hydrogen 2.992 N/A SER 316.A OG VAL 318.A O no hydrogen 2.706 N/A GLY 321.A N GLU 486.A O no hydrogen 3.371 N/A ILE 322.A N GLU 486.A OE2 no hydrogen 2.865 N/A ASP 323.A N GLU 486.A OE2 no hydrogen 2.775 N/A GLN 325.A N GLY 320.A O no hydrogen 3.011 N/A GLN 325.A NE2 ARG 314.A O no hydrogen 2.685 N/A SER 326.A N ILE 322.A O no hydrogen 3.037 N/A SER 326.A OG ILE 322.A O no hydrogen 2.902 N/A ALA 328.A N PRO 324.A O no hydrogen 3.025 N/A ALA 329.A N GLN 325.A O no hydrogen 2.934 N/A VAL 331.A N GLY 327.A O no hydrogen 2.945 N/A HIS 332.A N ALA 328.A O no hydrogen 2.899 N/A GLU 333.A N ALA 329.A O no hydrogen 3.238 N/A ILE 334.A N VAL 330.A O no hydrogen 3.149 N/A VAL 335.A N VAL 331.A O no hydrogen 2.951 N/A ARG 336.A N HIS 332.A O no hydrogen 3.063 N/A ARG 336.A NE GLU 333.A OE1 no hydrogen 2.844 N/A ARG 336.A NH1 GLU 8.A OE2 no hydrogen 3.150 N/A ARG 336.A NH1 GLU 333.A OE2 no hydrogen 2.995 N/A ARG 336.A NH2 GLU 8.A OE2 no hydrogen 2.755 N/A SER 337.A N GLU 333.A O no hydrogen 2.760 N/A SER 337.A OG PHE 5.A O no hydrogen 2.883 N/A PHE 338.A N ILE 334.A O no hydrogen 2.848 N/A GLY 339.A N VAL 335.A O no hydrogen 2.843 N/A THR 340.A OG1 ARG 336.A O no hydrogen 3.202 N/A LEU 341.A N SER 337.A O no hydrogen 3.418 N/A LYS 342.A N PHE 338.A O no hydrogen 3.056 N/A LYS 342.A NZ GLY 48.A O no hydrogen 2.603 N/A LYS 342.A NZ ASP 50.A OD1 no hydrogen 3.188 N/A LYS 343.A N GLY 339.A O no hydrogen 2.991 N/A LYS 343.A NZ GLU 46.A O no hydrogen 2.446 N/A GLU 344.A N THR 340.A O no hydrogen 3.247 N/A TRP 346.A N LEU 341.A O no hydrogen 3.061 N/A ARG 347.A NH1 ASP 50.A OD2 no hydrogen 2.769 N/A ARG 347.A NH1 ARG 299.A O no hydrogen 2.663 N/A ARG 347.A NH2 ASP 50.A OD1 no hydrogen 2.737 N/A ARG 347.A NH2 ASP 50.A OD2 no hydrogen 3.208 N/A ARG 349.A N ASN 518.A OD1 no hydrogen 2.917 N/A ARG 349.A NE GLU 303.A OE2 no hydrogen 2.911 N/A ARG 349.A NH2 GLU 303.A OE2 no hydrogen 3.400 N/A ARG 350.A N ALA 517.A O no hydrogen 2.737 N/A ARG 350.A NH1 LEU 516.A O no hydrogen 3.099 N/A ARG 350.A NH1 SER 519.A O no hydrogen 2.579 N/A ARG 350.A NH2 SER 519.A O no hydrogen 3.273 N/A ARG 350.A NH2 ILE 520.A O no hydrogen 3.238 N/A THR 351.A OG1 PRO 304.A O no hydrogen 2.858 N/A ILE 352.A N LEU 298.A O no hydrogen 3.146 N/A LEU 353.A N VAL 308.A O no hydrogen 2.760 N/A PHE 354.A N GLY 296.A O no hydrogen 2.934 N/A ALA 355.A N LEU 310.A O no hydrogen 2.951 N/A SER 356.A N VAL 294.A O no hydrogen 2.881 N/A TRP 357.A N GLY 312.A O no hydrogen 2.907 N/A TRP 357.A NE1 TYR 385.A OH no hydrogen 2.906 N/A ASP 358.A N ASN 293.A OD1 no hydrogen 2.896 N/A ALA 359.A N ASP 358.A OD1 no hydrogen 2.820 N/A GLU 360.A N ASP 315.A OD1 no hydrogen 2.985 N/A GLU 361.A N ASP 315.A OD2 no hydrogen 3.018 N/A PHE 362.A N ALA 359.A O no hydrogen 3.353 N/A GLY 363.A N GLU 360.A O no hydrogen 3.115 N/A LEU 364.A N GLU 360.A O no hydrogen 3.067 N/A LEU 365.A N ALA 359.A O no hydrogen 3.262 N/A GLY 366.A N ASP 358.A O no hydrogen 2.917 N/A SER 367.A OG LEU 364.A O no hydrogen 3.210 N/A SER 367.A OG ASP 456.A OD1 no hydrogen 2.769 N/A THR 368.A N LEU 364.A O no hydrogen 3.140 N/A THR 368.A OG1 LEU 364.A O no hydrogen 2.482 N/A GLU 369.A N LEU 365.A O no hydrogen 2.908 N/A TRP 370.A N GLY 366.A O no hydrogen 3.112 N/A ALA 371.A N SER 367.A O no hydrogen 2.928 N/A GLU 372.A N THR 368.A O no hydrogen 2.892 N/A GLU 373.A N GLU 369.A O no hydrogen 3.034 N/A ASN 374.A N TRP 370.A O no hydrogen 3.145 N/A ASN 374.A ND2 TRP 370.A O no hydrogen 3.012 N/A LEU 378.A N ASN 374.A O no hydrogen 3.013 N/A GLN 379.A N SER 375.A O no hydrogen 2.858 N/A ARG 381.A N LEU 377.A O no hydrogen 2.850 N/A ARG 381.A NH1 TYR 307.A OH no hydrogen 2.960 N/A GLY 382.A N LEU 378.A O no hydrogen 2.931 N/A VAL 383.A N TYR 307.A O no hydrogen 2.824 N/A TYR 385.A N ALA 467.A O no hydrogen 2.859 N/A TYR 385.A OH ASN 387.A OD1 no hydrogen 2.818 N/A ILE 386.A N ILE 309.A O no hydrogen 2.790 N/A ASN 387.A N GLY 469.A O no hydrogen 2.830 N/A ASN 387.A ND2 ASN 455.A OD1 no hydrogen 2.866 N/A SER 390.A N ASP 389.A OD1 no hydrogen 2.785 N/A SER 390.A OG ILE 322.A O no hydrogen 3.445 N/A SER 391.A N SER 326.A OG no hydrogen 2.927 N/A SER 391.A OG SER 326.A O no hydrogen 2.581 N/A GLU 393.A N TYR 473.A O no hydrogen 2.809 N/A ASN 395.A ND2 TYR 495.A O no hydrogen 3.502 N/A TYR 396.A N THR 474.A O no hydrogen 3.011 N/A THR 397.A N THR 474.A O no hydrogen 3.291 N/A LEU 398.A N THR 397.A OG1 no hydrogen 2.729 N/A ARG 399.A N ARG 472.A O no hydrogen 2.842 N/A ASP 401.A N ARG 470.A O no hydrogen 3.061 N/A CYS 402.A N SER 449.A O no hydrogen 3.139 N/A CYS 402.A SG THR 403.A O no hydrogen 3.357 N/A THR 403.A N SER 468.A O no hydrogen 3.159 N/A THR 403.A OG1 GLU 599.A OE1 no hydrogen 2.564 N/A LEU 405.A N THR 403.A OG1 no hydrogen 3.351 N/A MET 406.A N THR 403.A O no hydrogen 2.975 N/A TYR 407.A N PRO 404.A O no hydrogen 3.303 N/A SER 408.A OG ASP 528.A OD2 no hydrogen 3.298 N/A VAL 410.A N MET 406.A O no hydrogen 3.091 N/A HIS 411.A N TYR 407.A O no hydrogen 2.942 N/A ASN 412.A N SER 408.A O no hydrogen 2.922 N/A LEU 413.A N LEU 409.A O no hydrogen 2.823 N/A THR 414.A N VAL 410.A O no hydrogen 3.109 N/A THR 414.A OG1 VAL 410.A O no hydrogen 2.958 N/A THR 414.A OG1 HIS 411.A O no hydrogen 3.076 N/A LYS 415.A N HIS 411.A O no hydrogen 3.262 N/A LYS 415.A N ASN 412.A O no hydrogen 3.339 N/A GLU 416.A N LEU 413.A O no hydrogen 3.223 N/A LEU 417.A N THR 414.A O no hydrogen 3.378 N/A SER 419.A N LYS 427.A O no hydrogen 3.123 N/A SER 419.A OG SER 432.A OG no hydrogen 2.609 N/A ASP 421.A N SER 419.A OG no hydrogen 3.243 N/A GLY 423.A N GLU 425.A OE2 no hydrogen 2.610 N/A PHE 424.A N GLU 425.A OE2 no hydrogen 3.253 N/A LYS 427.A N PHE 424.A O no hydrogen 3.090 N/A LEU 429.A N LEU 417.A O no hydrogen 2.729 N/A TYR 430.A N THR 414.A O no hydrogen 2.937 N/A GLU 431.A N SER 428.A OG no hydrogen 3.122 N/A SER 432.A N SER 428.A O no hydrogen 3.089 N/A SER 432.A OG SER 419.A OG no hydrogen 2.609 N/A SER 432.A OG SER 428.A O no hydrogen 3.460 N/A SER 432.A OG LEU 429.A O no hydrogen 3.422 N/A TRP 433.A N LEU 429.A O no hydrogen 2.957 N/A THR 434.A N TYR 430.A O no hydrogen 2.863 N/A LYS 435.A N GLU 431.A O no hydrogen 3.001 N/A LYS 436.A N SER 432.A O no hydrogen 2.851 N/A LYS 436.A NZ TYR 396.A O no hydrogen 2.828 N/A LYS 436.A NZ ASP 421.A OD2 no hydrogen 2.541 N/A SER 439.A N MET 445.A O no hydrogen 2.681 N/A SER 439.A OG PHE 442.A O no hydrogen 3.277 N/A ARG 447.A N SER 437.A O no hydrogen 3.093 N/A SER 449.A N VAL 400.A O no hydrogen 2.969 N/A SER 449.A OG ASP 401.A OD1 no hydrogen 3.428 N/A LYS 450.A NZ SER 631.A OG no hydrogen 3.165 N/A GLY 454.A N GLU 458.A OE2 no hydrogen 2.796 N/A ASN 455.A ND2 ASP 389.A OD2 no hydrogen 2.701 N/A ASN 455.A ND2 GLY 454.A O no hydrogen 3.683 N/A ASP 456.A N ASN 455.A OD1 no hydrogen 3.078 N/A GLU 458.A N ASN 455.A O no hydrogen 3.116 N/A PHE 461.A N PHE 457.A O no hydrogen 2.968 N/A GLN 462.A N GLU 458.A O no hydrogen 2.867 N/A GLN 462.A NE2 GLY 452.A O no hydrogen 2.664 N/A ARG 463.A N VAL 459.A O no hydrogen 3.208 N/A ARG 463.A NH1 GLU 372.A OE1 no hydrogen 2.886 N/A ARG 463.A NH2 GLY 207.A O no hydrogen 2.786 N/A ARG 463.A NH2 GLU 372.A OE1 no hydrogen 3.122 N/A LEU 464.A N VAL 459.A O no hydrogen 3.025 N/A GLY 465.A N PHE 461.A O no hydrogen 2.985 N/A ILE 466.A N PHE 460.A O no hydrogen 2.770 N/A SER 468.A OG ILE 466.A O no hydrogen 2.721 N/A GLY 469.A N TYR 385.A O no hydrogen 2.931 N/A ARG 470.A N ASP 401.A O no hydrogen 2.823 N/A ARG 472.A N ARG 399.A O no hydrogen 3.015 N/A TYR 473.A N SER 391.A O no hydrogen 2.678 N/A TYR 473.A OH ASP 421.A OD1 no hydrogen 2.590 N/A THR 474.A N THR 397.A O no hydrogen 2.805 N/A THR 474.A OG1 GLU 393.A OE2 no hydrogen 2.733 N/A TYR 478.A OH GLU 486.A OE1 no hydrogen 2.526 N/A TYR 481.A N TYR 478.A O no hydrogen 3.190 N/A HIS 482.A N GLU 486.A OE1 no hydrogen 3.217 N/A HIS 482.A ND1 ARG 199.A O no hydrogen 2.850 N/A HIS 482.A NE2 GLU 361.A OE2 no hydrogen 3.139 N/A SER 483.A N LEU 480.A O no hydrogen 3.111 N/A SER 483.A OG LEU 480.A O no hydrogen 2.909 N/A VAL 484.A N GLU 89.A OE1 no hydrogen 3.098 N/A VAL 484.A N GLU 89.A OE2 no hydrogen 3.332 N/A TYR 485.A N SER 483.A OG no hydrogen 3.335 N/A TYR 485.A OH PRO 90.A O no hydrogen 2.549 N/A GLU 486.A N SER 483.A O no hydrogen 3.348 N/A THR 487.A OG1 TYR 186.A OH no hydrogen 2.853 N/A THR 487.A OG1 TYR 485.A O no hydrogen 3.474 N/A TYR 488.A OH GLU 492.A OE2 no hydrogen 2.838 N/A LEU 490.A N THR 487.A OG1 no hydrogen 3.025 N/A VAL 491.A N TYR 488.A O no hydrogen 2.950 N/A GLU 492.A N TYR 488.A O no hydrogen 2.897 N/A LYS 493.A N GLU 489.A O no hydrogen 2.995 N/A PHE 494.A N LEU 490.A O no hydrogen 3.299 N/A TYR 495.A N VAL 491.A O no hydrogen 3.140 N/A ASP 496.A N VAL 491.A O no hydrogen 2.886 N/A PHE 499.A N ASP 496.A O no hydrogen 2.996 N/A LYS 500.A NZ PRO 420.A O no hydrogen 2.734 N/A TYR 501.A N ASP 496.A OD1 no hydrogen 3.169 N/A HIS 502.A N ASP 496.A OD2 no hydrogen 2.951 N/A LEU 503.A N PHE 499.A O no hydrogen 3.134 N/A THR 504.A N LYS 500.A O no hydrogen 3.094 N/A THR 504.A OG1 LYS 500.A O no hydrogen 3.071 N/A VAL 505.A N TYR 501.A O no hydrogen 3.055 N/A ALA 506.A N HIS 502.A O no hydrogen 2.929 N/A GLN 507.A N LEU 503.A O no hydrogen 3.194 N/A GLN 507.A N THR 504.A O no hydrogen 3.320 N/A VAL 508.A N THR 504.A O no hydrogen 3.124 N/A ARG 509.A N VAL 505.A O no hydrogen 2.919 N/A ARG 509.A NE ALA 471.A O no hydrogen 2.853 N/A ARG 509.A NH1 ASP 389.A O no hydrogen 3.119 N/A ARG 509.A NH2 ASP 389.A O no hydrogen 3.009 N/A ARG 509.A NH2 SER 390.A O no hydrogen 3.156 N/A ARG 509.A NH2 ALA 471.A O no hydrogen 2.716 N/A GLY 510.A N ALA 506.A O no hydrogen 2.843 N/A GLY 511.A N GLN 507.A O no hydrogen 2.868 N/A MET 512.A N VAL 508.A O no hydrogen 3.139 N/A VAL 513.A N ARG 509.A O no hydrogen 2.979 N/A PHE 514.A N GLY 510.A O no hydrogen 2.849 N/A GLU 515.A N GLY 511.A O no hydrogen 2.839 N/A LEU 516.A N MET 512.A O no hydrogen 2.934 N/A ALA 517.A N VAL 513.A O no hydrogen 2.824 N/A ASN 518.A N GLU 515.A O no hydrogen 3.367 N/A SER 519.A N GLU 515.A O no hydrogen 3.001 N/A SER 519.A OG VAL 521.A O no hydrogen 2.366 N/A LEU 522.A N ASN 592.A OD1 no hydrogen 2.861 N/A ASP 525.A N LEU 405.A O no hydrogen 3.350 N/A CYS 526.A SG ALA 572.A O no hydrogen 3.776 N/A ARG 527.A N ASP 525.A OD1 no hydrogen 3.198 N/A ARG 527.A NE ASP 525.A OD1 no hydrogen 3.044 N/A ARG 527.A NH2 ASP 525.A OD1 no hydrogen 3.553 N/A ARG 527.A NH2 ASP 525.A OD2 no hydrogen 2.887 N/A ASP 528.A N ASP 525.A O no hydrogen 3.167 N/A TYR 529.A N CYS 526.A O no hydrogen 3.106 N/A TYR 529.A OH GLU 599.A OE2 no hydrogen 2.516 N/A TYR 529.A OH HIS 616.A NE2 no hydrogen 3.422 N/A ALA 530.A N CYS 526.A O no hydrogen 3.427 N/A VAL 531.A N ARG 527.A O no hydrogen 3.134 N/A VAL 532.A N ASP 528.A O no hydrogen 3.301 N/A LEU 533.A N TYR 529.A O no hydrogen 2.858 N/A ARG 534.A N ALA 530.A O no hydrogen 3.332 N/A ARG 534.A NH1 ASP 538.A OD1 no hydrogen 2.580 N/A LYS 535.A N VAL 531.A O no hydrogen 3.382 N/A TYR 536.A N VAL 532.A O no hydrogen 2.897 N/A TYR 536.A OH TYR 619.A OH no hydrogen 2.689 N/A ALA 537.A N LEU 533.A O no hydrogen 2.936 N/A ASP 538.A N ARG 534.A O no hydrogen 2.889 N/A LYS 539.A N LYS 535.A O no hydrogen 2.856 N/A ILE 540.A N TYR 536.A O no hydrogen 3.147 N/A TYR 541.A N ALA 537.A O no hydrogen 2.907 N/A SER 542.A N ASP 538.A O no hydrogen 2.967 N/A SER 542.A OG ASP 538.A O no hydrogen 3.020 N/A ILE 543.A N LYS 539.A O no hydrogen 3.253 N/A SER 544.A N ILE 540.A O no hydrogen 3.269 N/A MET 545.A N TYR 541.A O no hydrogen 2.950 N/A HIS 547.A N SER 544.A O no hydrogen 2.947 N/A MET 551.A N HIS 547.A O no hydrogen 3.082 N/A LYS 552.A N PRO 548.A O no hydrogen 3.208 N/A LYS 552.A N GLN 549.A O no hydrogen 3.037 N/A THR 553.A N GLN 549.A O no hydrogen 3.043 N/A THR 553.A OG1 GLN 549.A O no hydrogen 2.820 N/A TYR 554.A N GLU 550.A O no hydrogen 3.056 N/A VAL 556.A N MET 551.A O no hydrogen 3.007 N/A ASP 559.A N SER 557.A OG no hydrogen 2.987 N/A PHE 562.A N PHE 558.A O no hydrogen 3.137 N/A SER 563.A N ASP 559.A O no hydrogen 2.852 N/A ALA 564.A N SER 560.A O no hydrogen 2.897 N/A VAL 565.A N LEU 561.A O no hydrogen 2.907 N/A LYS 566.A N PHE 562.A O no hydrogen 2.885 N/A ASN 567.A N SER 563.A O no hydrogen 2.992 N/A ASN 567.A ND2 GLN 667.A OE1 no hydrogen 2.711 N/A PHE 568.A N ALA 564.A O no hydrogen 2.848 N/A THR 569.A N VAL 565.A O no hydrogen 2.995 N/A THR 569.A OG1 VAL 565.A O no hydrogen 2.932 N/A GLU 570.A N LYS 566.A O no hydrogen 2.977 N/A ILE 571.A N ASN 567.A O no hydrogen 2.995 N/A ALA 572.A N PHE 568.A O no hydrogen 2.828 N/A SER 573.A N THR 569.A O no hydrogen 3.105 N/A LYS 574.A N GLU 570.A O no hydrogen 3.041 N/A PHE 575.A N ILE 571.A O no hydrogen 2.804 N/A SER 576.A N ALA 572.A O no hydrogen 2.819 N/A SER 576.A OG ALA 572.A O no hydrogen 2.871 N/A SER 576.A OG SER 573.A O no hydrogen 3.393 N/A GLU 577.A N SER 573.A O no hydrogen 3.124 N/A ARG 578.A N LYS 574.A O no hydrogen 3.170 N/A ARG 578.A NH2 LEU 673.A O no hydrogen 2.938 N/A LEU 579.A N PHE 575.A O no hydrogen 3.087 N/A LEU 579.A N SER 576.A O no hydrogen 3.102 N/A GLN 580.A N SER 576.A O no hydrogen 3.260 N/A ASP 581.A N GLU 577.A O no hydrogen 3.309 N/A LEU 588.A N ASN 584.A O no hydrogen 3.239 N/A ARG 589.A N PRO 585.A O no hydrogen 2.825 N/A ARG 589.A NE GLU 303.A OE1 no hydrogen 3.054 N/A ARG 589.A NH1 ASP 305.A OD2 no hydrogen 3.167 N/A ARG 589.A NH2 GLU 303.A OE1 no hydrogen 3.091 N/A ARG 589.A NH2 ASP 305.A OD1 no hydrogen 2.796 N/A ARG 589.A NH2 ASP 305.A OD2 no hydrogen 3.425 N/A MET 590.A N ILE 586.A O no hydrogen 3.061 N/A MET 591.A N VAL 587.A O no hydrogen 3.184 N/A ASN 592.A N LEU 588.A O no hydrogen 2.919 N/A ASN 592.A ND2 ILE 520.A O no hydrogen 2.961 N/A ASP 593.A N ARG 589.A O no hydrogen 2.808 N/A GLN 594.A N MET 590.A O no hydrogen 2.915 N/A GLN 594.A NE2 THR 672.A O no hydrogen 2.718 N/A GLN 594.A NE2 SER 674.A O no hydrogen 2.962 N/A LEU 595.A N MET 591.A O no hydrogen 3.079 N/A MET 596.A N ASN 592.A O no hydrogen 2.719 N/A PHE 597.A N ASP 593.A O no hydrogen 2.835 N/A LEU 598.A N LEU 595.A O no hydrogen 3.488 N/A ARG 600.A NE GLN 379.A O no hydrogen 2.708 N/A ARG 600.A NH1 GLY 465.A O no hydrogen 2.945 N/A ARG 600.A NH2 GLN 379.A O no hydrogen 3.003 N/A ARG 600.A NH2 GLY 382.A O no hydrogen 2.874 N/A ALA 601.A N PHE 597.A O no hydrogen 2.995 N/A ALA 601.A N LEU 598.A O no hydrogen 2.954 N/A PHE 602.A N GLU 599.A O no hydrogen 3.114 N/A ILE 603.A N ARG 600.A O no hydrogen 3.223 N/A ASP 604.A N ARG 615.A O no hydrogen 2.686 N/A LEU 606.A N ASP 604.A OD1 no hydrogen 2.946 N/A GLY 607.A N ASP 604.A O no hydrogen 3.049 N/A LEU 608.A N TYR 614.A O no hydrogen 3.085 N/A ARG 611.A N LEU 608.A O no hydrogen 3.020 N/A ARG 611.A NH1 PRO 621.A O no hydrogen 2.710 N/A ARG 611.A NH2 PRO 621.A O no hydrogen 2.493 N/A TYR 614.A N ARG 611.A O no hydrogen 3.207 N/A TYR 614.A OH GLU 458.A OE1 no hydrogen 2.711 N/A ARG 615.A N GLN 462.A O no hydrogen 2.856 N/A ARG 615.A NE ARG 463.A O no hydrogen 2.937 N/A ARG 615.A NH2 ARG 463.A O no hydrogen 2.832 N/A VAL 617.A N PHE 602.A O no hydrogen 2.931 N/A TYR 619.A OH TYR 536.A OH no hydrogen 2.689 N/A SER 622.A OG ASP 637.A OD1 no hydrogen 2.433 N/A SER 623.A N ASP 637.A OD2 no hydrogen 2.865 N/A HIS 624.A N SER 622.A OG no hydrogen 3.194 N/A LYS 626.A NZ ASN 206.A OD1 no hydrogen 3.259 N/A LYS 626.A NZ SER 622.A O no hydrogen 3.203 N/A PHE 632.A N ILE 618.A O no hydrogen 2.927 N/A ILE 635.A N PHE 632.A O no hydrogen 3.031 N/A TYR 636.A N PHE 632.A O no hydrogen 3.047 N/A ASP 637.A N PRO 633.A O no hydrogen 2.953 N/A ALA 638.A N GLY 634.A O no hydrogen 3.273 N/A LEU 639.A N ILE 635.A O no hydrogen 3.120 N/A ILE 642.A N LEU 639.A O no hydrogen 3.223 N/A GLU 643.A N GLU 643.A OE1 no hydrogen 3.202 N/A SER 644.A N ASP 641.A O no hydrogen 3.238 N/A SER 644.A OG ASP 641.A O no hydrogen 3.452 N/A SER 644.A OG ASP 641.A OD1 no hydrogen 2.719 N/A SER 644.A OG ASP 641.A OD2 no hydrogen 2.890 N/A LYS 645.A N ILE 642.A O no hydrogen 3.133 N/A SER 649.A OG ASP 647.A OD1 no hydrogen 3.485 N/A ALA 651.A N ASP 647.A O no hydrogen 3.019 N/A TRP 652.A N PRO 648.A O no hydrogen 2.759 N/A GLY 653.A N SER 649.A O no hydrogen 2.906 N/A GLU 654.A N LYS 650.A O no hydrogen 3.145 N/A VAL 655.A N ALA 651.A O no hydrogen 3.336 N/A LYS 656.A N TRP 652.A O no hydrogen 3.082 N/A LYS 656.A NZ TYR 554.A O no hydrogen 2.991 N/A ARG 657.A N GLY 653.A O no hydrogen 2.948 N/A ARG 657.A NE GLU 654.A OE1 no hydrogen 3.022 N/A ARG 657.A NH2 GLU 654.A OE2 no hydrogen 3.262 N/A GLN 658.A N GLU 654.A O no hydrogen 3.187 N/A GLN 658.A NE2 GLU 654.A OE2 no hydrogen 3.026 N/A ILE 659.A N VAL 655.A O no hydrogen 3.015 N/A TYR 660.A N LYS 656.A O no hydrogen 3.025 N/A VAL 661.A N ARG 657.A O no hydrogen 2.928 N/A ALA 662.A N GLN 658.A O no hydrogen 3.033 N/A ALA 663.A N ILE 659.A O no hydrogen 2.834 N/A PHE 664.A N TYR 660.A O no hydrogen 2.855 N/A THR 665.A N VAL 661.A O no hydrogen 3.072 N/A THR 665.A OG1 VAL 661.A O no hydrogen 2.799 N/A VAL 666.A N ALA 662.A O no hydrogen 3.008 N/A GLN 667.A N ALA 663.A O no hydrogen 2.993 N/A GLN 667.A NE2 GLU 671.A OE2 no hydrogen 2.820 N/A ALA 668.A N PHE 664.A O no hydrogen 2.794 N/A ALA 669.A N THR 665.A O no hydrogen 2.903 N/A ALA 670.A N VAL 666.A O no hydrogen 3.019 N/A GLU 671.A N GLN 667.A O no hydrogen 3.083 N/A THR 672.A N ALA 669.A O no hydrogen 2.992 N/A THR 672.A OG1 ALA 669.A O no hydrogen 2.569 N/A LEU 673.A N ALA 670.A O no hydrogen 2.782 N/A