Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2rgr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 13.A OD2 no hydrogen 3.120 N/A LYS 2.A NZ ASN 15.A O no hydrogen 3.101 N/A LYS 2.A NZ ALA 17.A O no hydrogen 3.200 N/A SER 3.A N GLY 18.A O no hydrogen 3.099 N/A SER 3.A OG GLY 18.A O no hydrogen 3.235 N/A LYS 10.A NZ ASP 33.A OD2 no hydrogen 2.379 N/A LEU 11.A N TYR 8.A O no hydrogen 3.421 N/A GLU 12.A N CYS 53.A O no hydrogen 3.182 N/A ALA 14.A N TYR 100.A OH no hydrogen 2.912 N/A ASN 15.A N ARG 48.A O no hydrogen 2.674 N/A LYS 16.A N ASP 49.A O no hydrogen 3.057 N/A ALA 17.A N ALA 14.A O no hydrogen 2.862 N/A GLY 18.A N ARG 99.A O no hydrogen 3.300 N/A THR 19.A N LYS 16.A O no hydrogen 3.219 N/A GLY 22.A N THR 19.A O no hydrogen 2.909 N/A LYS 24.A N GLU 21.A O no hydrogen 2.978 N/A CYS 25.A N GLY 22.A O no hydrogen 3.011 N/A CYS 25.A SG GLU 21.A O no hydrogen 3.420 N/A CYS 25.A SG ASP 49.A O no hydrogen 3.953 N/A THR 26.A N TYR 50.A O no hydrogen 2.884 N/A LEU 27.A N HIS 102.A O no hydrogen 2.745 N/A VAL 28.A N GLY 52.A O no hydrogen 2.767 N/A LEU 29.A N MET 104.A O no hydrogen 2.827 N/A THR 30.A N TYR 54.A O no hydrogen 3.147 N/A THR 30.A OG1 GLY 32.A O no hydrogen 3.239 N/A GLU 31.A N MET 106.A O no hydrogen 3.110 N/A GLY 32.A N LEU 56.A O no hydrogen 2.618 N/A LEU 36.A N GLY 32.A O no hydrogen 3.311 N/A LEU 36.A N ASP 33.A O no hydrogen 3.215 N/A SER 37.A N SER 34.A O no hydrogen 3.473 N/A SER 37.A OG SER 34.A O no hydrogen 3.204 N/A LEU 38.A N ALA 35.A O no hydrogen 2.792 N/A ALA 39.A N ALA 35.A O no hydrogen 3.434 N/A VAL 40.A N LEU 36.A O no hydrogen 3.215 N/A ALA 41.A N SER 37.A O no hydrogen 2.912 N/A GLY 42.A N LEU 38.A O no hydrogen 2.963 N/A LEU 43.A N ALA 39.A O no hydrogen 2.743 N/A ALA 44.A N ALA 41.A O no hydrogen 3.302 N/A VAL 45.A N GLY 42.A O no hydrogen 2.784 N/A VAL 46.A N GLY 42.A O no hydrogen 3.031 N/A GLY 47.A N LEU 43.A O no hydrogen 3.110 N/A GLY 52.A N THR 26.A O no hydrogen 3.212 N/A CYS 53.A N GLU 12.A O no hydrogen 2.919 N/A TYR 54.A N VAL 28.A O no hydrogen 2.940 N/A LEU 56.A N THR 30.A O no hydrogen 2.698 N/A ARG 57.A N GLU 76.A OE2 no hydrogen 2.972 N/A LYS 59.A NZ ASP 112.A O no hydrogen 3.341 N/A LYS 59.A NZ ASP 112.A OD1 no hydrogen 3.244 N/A LYS 59.A NZ HIS 115.A ND1 no hydrogen 2.258 N/A ASN 62.A ND2 PHE 224.A O no hydrogen 3.106 N/A ARG 64.A N ASN 62.A OD1 no hydrogen 3.194 N/A GLN 70.A N SER 67.A OG no hydrogen 3.330 N/A ILE 71.A N SER 67.A O no hydrogen 3.166 N/A LEU 72.A N ALA 68.A O no hydrogen 2.767 N/A LYS 73.A N ASP 69.A O no hydrogen 2.993 N/A LYS 73.A NZ ASP 69.A OD2 no hydrogen 3.268 N/A ASN 74.A N GLN 70.A O no hydrogen 3.142 N/A ASN 74.A N ILE 71.A O no hydrogen 3.105 N/A GLU 76.A N ASN 74.A OD1 no hydrogen 2.972 N/A GLN 78.A N ASN 74.A O no hydrogen 3.196 N/A GLN 78.A NE2 ILE 71.A O no hydrogen 2.721 N/A ALA 79.A N ALA 75.A O no hydrogen 3.172 N/A ILE 80.A N GLU 76.A O no hydrogen 3.054 N/A LYS 81.A N ILE 77.A O no hydrogen 3.051 N/A LYS 82.A N GLN 78.A O no hydrogen 2.979 N/A ILE 83.A N ALA 79.A O no hydrogen 3.000 N/A MET 84.A N ILE 80.A O no hydrogen 3.098 N/A GLY 85.A N LYS 81.A O no hydrogen 2.861 N/A GLN 87.A N TYR 92.A OH no hydrogen 3.186 N/A LYS 90.A N HIS 88.A O no hydrogen 3.372 N/A LEU 98.A N THR 95.A O no hydrogen 3.161 N/A ARG 99.A N MET 84.A O no hydrogen 2.741 N/A ARG 99.A NE ILE 83.A O no hydrogen 2.748 N/A ARG 99.A NH1 SER 3.A OG no hydrogen 3.427 N/A ARG 99.A NH2 ASP 13.A OD2 no hydrogen 3.114 N/A TYR 100.A OH ASP 13.A OD1 no hydrogen 2.596 N/A GLY 101.A N CYS 25.A O no hydrogen 2.844 N/A HIS 102.A N CYS 25.A O no hydrogen 3.123 N/A HIS 102.A ND1 GLY 136.A O no hydrogen 3.197 N/A LEU 103.A N PHE 137.A O no hydrogen 2.764 N/A MET 104.A N LEU 27.A O no hydrogen 2.780 N/A ILE 105.A N LEU 139.A O no hydrogen 3.191 N/A MET 106.A N LEU 29.A O no hydrogen 2.741 N/A THR 107.A OG1 GLU 31.A OE1 no hydrogen 3.509 N/A ASP 108.A N GLU 31.A OE1 no hydrogen 2.693 N/A GLY 113.A N ASP 110.A OD1 no hydrogen 2.896 N/A SER 114.A N ASP 110.A O no hydrogen 3.295 N/A SER 114.A OG GLU 261.A OE2 no hydrogen 2.914 N/A HIS 115.A N HIS 111.A O no hydrogen 3.119 N/A ILE 116.A N ASP 112.A O no hydrogen 3.118 N/A ILE 116.A N GLY 113.A O no hydrogen 2.741 N/A LYS 117.A N GLY 113.A O no hydrogen 3.081 N/A LYS 117.A NZ GLU 140.A OE1 no hydrogen 3.095 N/A LYS 117.A NZ GLU 261.A OE2 no hydrogen 2.770 N/A GLY 118.A N SER 114.A O no hydrogen 2.986 N/A LEU 119.A N HIS 115.A O no hydrogen 3.051 N/A ILE 120.A N ILE 116.A O no hydrogen 2.967 N/A ILE 121.A N LYS 117.A O no hydrogen 2.884 N/A ASN 122.A N GLY 118.A O no hydrogen 2.812 N/A PHE 123.A N LEU 119.A O no hydrogen 2.974 N/A LEU 124.A N ILE 120.A O no hydrogen 2.863 N/A GLU 125.A N ILE 121.A O no hydrogen 2.780 N/A SER 126.A N PHE 123.A O no hydrogen 3.356 N/A SER 127.A N PHE 123.A O no hydrogen 2.943 N/A ASP 133.A N GLY 130.A O no hydrogen 3.008 N/A ILE 134.A N LEU 131.A O no hydrogen 2.817 N/A LEU 139.A N LEU 103.A O no hydrogen 2.662 N/A GLU 140.A N LYS 207.A O no hydrogen 2.909 N/A PHE 141.A N ILE 105.A O no hydrogen 3.014 N/A ILE 142.A N HIS 205.A O no hydrogen 2.821 N/A THR 143.A N GLN 109.A OE1 no hydrogen 3.326 N/A ILE 145.A N PHE 160.A O no hydrogen 2.739 N/A ILE 146.A N PHE 160.A O no hydrogen 3.245 N/A LYS 147.A N LYS 182.A O no hydrogen 2.905 N/A LYS 147.A NZ GLU 194.A OE1 no hydrogen 3.481 N/A VAL 148.A N ILE 158.A O no hydrogen 3.371 N/A SER 149.A N LYS 180.A O no hydrogen 2.743 N/A THR 151.A N THR 178.A O no hydrogen 2.918 N/A ILE 158.A N VAL 148.A O no hydrogen 3.210 N/A PHE 160.A N ILE 146.A O no hydrogen 2.821 N/A TYR 161.A OH HIS 205.A NE2 no hydrogen 3.001 N/A MET 163.A N ASN 162.A OD1 no hydrogen 2.403 N/A TYR 166.A OH GLU 392.A OE2 no hydrogen 2.438 N/A GLU 167.A N MET 163.A O no hydrogen 2.799 N/A LYS 168.A N PRO 164.A O no hydrogen 3.253 N/A ARG 170.A N TYR 166.A O no hydrogen 3.117 N/A GLU 171.A N GLU 167.A O no hydrogen 3.348 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.644 N/A GLU 173.A N TRP 169.A O no hydrogen 2.736 N/A SER 174.A N TRP 169.A O no hydrogen 3.088 N/A SER 174.A N ARG 170.A O no hydrogen 3.336 N/A SER 174.A OG ARG 170.A O no hydrogen 2.460 N/A LYS 176.A N GLU 173.A O no hydrogen 2.544 N/A PHE 177.A N SER 174.A O no hydrogen 3.318 N/A THR 178.A N LYS 152.A O no hydrogen 3.257 N/A THR 178.A OG1 LYS 152.A O no hydrogen 2.958 N/A LYS 180.A N SER 149.A O no hydrogen 3.236 N/A LYS 182.A N LYS 147.A O no hydrogen 2.689 N/A TYR 184.A N ILE 145.A O no hydrogen 2.884 N/A TYR 184.A OH GLU 194.A OE1 no hydrogen 2.932 N/A TYR 184.A OH GLU 194.A OE2 no hydrogen 2.701 N/A THR 189.A N GLY 186.A O no hydrogen 3.478 N/A SER 190.A OG TYR 198.A OH no hydrogen 3.375 N/A LEU 191.A N GLU 194.A OE2 no hydrogen 3.021 N/A VAL 195.A N LEU 191.A O no hydrogen 3.132 N/A ARG 196.A N ALA 192.A O no hydrogen 3.025 N/A GLU 197.A N GLN 193.A O no hydrogen 3.268 N/A TYR 198.A N GLU 194.A O no hydrogen 3.086 N/A TYR 198.A OH SER 190.A OG no hydrogen 3.375 N/A PHE 199.A N VAL 195.A O no hydrogen 3.153 N/A SER 200.A N ARG 196.A O no hydrogen 2.904 N/A SER 200.A OG ARG 196.A O no hydrogen 2.953 N/A ASN 201.A N TYR 198.A O no hydrogen 2.921 N/A ASN 201.A ND2 GLU 197.A O no hydrogen 2.929 N/A LEU 202.A N HIS 205.A ND1 no hydrogen 3.385 N/A HIS 205.A ND1 TYR 198.A O no hydrogen 2.873 N/A HIS 205.A NE2 TYR 161.A OH no hydrogen 3.001 N/A LEU 206.A N LEU 202.A O no hydrogen 3.300 N/A LYS 207.A N GLU 140.A O no hydrogen 2.997 N/A LYS 207.A NZ PRO 247.A O no hydrogen 3.118 N/A ILE 208.A N LYS 250.A O no hydrogen 3.269 N/A PHE 209.A N LEU 138.A O no hydrogen 2.902 N/A HIS 210.A N ILE 252.A O no hydrogen 3.425 N/A HIS 210.A ND1 GLU 251.A OE1 no hydrogen 2.964 N/A LEU 212.A N LEU 132.A O no hydrogen 2.987 N/A GLN 213.A N ASP 216.A OD2 no hydrogen 2.284 N/A ASP 216.A N GLN 213.A O no hydrogen 2.834 N/A TYR 219.A N ASN 215.A O no hydrogen 3.166 N/A ILE 220.A N ASP 216.A O no hydrogen 3.166 N/A ASP 221.A N LYS 217.A O no hydrogen 3.424 N/A LEU 222.A N ASP 218.A O no hydrogen 2.658 N/A PHE 224.A N ILE 220.A O no hydrogen 2.953 N/A SER 225.A N ASP 221.A O no hydrogen 3.086 N/A SER 225.A OG GLU 65.A OE2 no hydrogen 3.170 N/A LYS 226.A NZ GLU 65.A O no hydrogen 2.920 N/A LYS 227.A N SER 225.A OG no hydrogen 3.389 N/A LYS 228.A N SER 225.A O no hydrogen 3.085 N/A LYS 228.A NZ ASP 221.A OD2 no hydrogen 2.727 N/A ARG 232.A N LYS 228.A O no hydrogen 3.135 N/A ARG 232.A NE ALA 223.A O no hydrogen 2.477 N/A LYS 233.A N ALA 229.A O no hydrogen 3.248 N/A LYS 233.A NZ ASP 230.A OD1 no hydrogen 3.032 N/A TRP 235.A N ASP 231.A O no hydrogen 2.759 N/A TRP 235.A NE1 ASN 259.A OD1 no hydrogen 2.441 N/A LEU 236.A N ARG 232.A O no hydrogen 3.087 N/A ARG 237.A N LYS 233.A O no hydrogen 3.225 N/A ARG 237.A NH1 GLU 234.A OE1 no hydrogen 2.915 N/A GLN 238.A N GLU 234.A O no hydrogen 2.710 N/A GLN 238.A NE2 GLU 234.A OE2 no hydrogen 2.466 N/A TYR 239.A OH THR 243.A O no hydrogen 3.006 N/A THR 243.A N GLU 240.A O no hydrogen 3.234 N/A THR 243.A OG1 GLU 240.A O no hydrogen 2.949 N/A THR 248.A N ASP 246.A OD1 no hydrogen 2.676 N/A LYS 250.A NZ LEU 206.A O no hydrogen 3.430 N/A SER 255.A OG ASP 216.A OD1 no hydrogen 2.379 N/A ASP 256.A N PRO 253.A O no hydrogen 3.195 N/A PHE 257.A N PRO 253.A O no hydrogen 3.158 N/A PHE 257.A N ILE 254.A O no hydrogen 2.313 N/A ILE 258.A N ILE 254.A O no hydrogen 2.859 N/A ASN 259.A ND2 SER 255.A O no hydrogen 3.347 N/A LYS 260.A N PHE 257.A O no hydrogen 3.233 N/A LYS 260.A NZ ASP 256.A OD2 no hydrogen 2.908 N/A GLU 261.A N PHE 257.A O no hydrogen 2.553 N/A LEU 262.A N PHE 257.A O no hydrogen 3.016 N/A ILE 263.A N ILE 258.A O no hydrogen 3.252 N/A SER 266.A N LEU 262.A O no hydrogen 2.854 N/A LEU 267.A N ILE 263.A O no hydrogen 2.811 N/A ALA 268.A N LEU 264.A O no hydrogen 3.094 N/A ASP 269.A N PHE 265.A O no hydrogen 2.523 N/A ASN 270.A N SER 266.A O no hydrogen 3.260 N/A ASN 270.A ND2 THR 417.A O no hydrogen 3.309 N/A ILE 271.A N LEU 267.A O no hydrogen 3.280 N/A ARG 272.A N ALA 268.A O no hydrogen 3.219 N/A ARG 272.A NH1 ASP 112.A OD1 no hydrogen 3.402 N/A ARG 272.A NH1 ASP 112.A OD2 no hydrogen 2.855 N/A ARG 272.A NH2 ASP 112.A OD1 no hydrogen 3.045 N/A SER 273.A N ASP 269.A O no hydrogen 3.003 N/A SER 273.A N ASN 270.A O no hydrogen 3.190 N/A SER 273.A OG ASP 269.A O no hydrogen 3.170 N/A SER 273.A OG ASP 269.A OD1 no hydrogen 3.452 N/A SER 273.A OG ILE 415.A O no hydrogen 3.098 N/A ILE 274.A N ASN 270.A O no hydrogen 2.711 N/A ASN 276.A N PHE 281.A O no hydrogen 3.047 N/A VAL 277.A N PHE 560.A O no hydrogen 2.872 N/A LEU 278.A N ASN 276.A OD1 no hydrogen 2.628 N/A GLY 280.A N ASN 276.A O no hydrogen 2.962 N/A PHE 281.A N ASP 279.A OD1 no hydrogen 2.898 N/A LYS 282.A N GLN 285.A OE1 no hydrogen 3.057 N/A LYS 282.A NZ GLU 413.A O no hydrogen 2.925 N/A ARG 286.A N LYS 282.A O no hydrogen 2.969 N/A ARG 286.A NE ASP 279.A OD2 no hydrogen 2.493 N/A ARG 286.A NH2 ASP 279.A OD1 no hydrogen 2.909 N/A ARG 286.A NH2 ASP 279.A OD2 no hydrogen 3.234 N/A LYS 287.A N PRO 283.A O no hydrogen 3.056 N/A LYS 287.A N GLY 284.A O no hydrogen 3.195 N/A LYS 287.A NZ THR 314.A O no hydrogen 3.223 N/A LYS 287.A NZ GLU 390.A OE1 no hydrogen 3.442 N/A LYS 287.A NZ GLU 396.A OE1 no hydrogen 2.936 N/A LYS 287.A NZ GLU 396.A OE2 no hydrogen 3.095 N/A VAL 288.A N GLY 284.A O no hydrogen 3.299 N/A LEU 289.A N GLN 285.A O no hydrogen 3.121 N/A TYR 290.A N ARG 286.A O no hydrogen 3.296 N/A GLY 291.A N LYS 287.A O no hydrogen 2.896 N/A CYS 292.A N VAL 288.A O no hydrogen 3.205 N/A CYS 292.A SG VAL 288.A O no hydrogen 3.244 N/A PHE 293.A N LEU 289.A O no hydrogen 3.005 N/A LYS 294.A N TYR 290.A O no hydrogen 2.747 N/A LYS 295.A N GLY 291.A O no hydrogen 3.107 N/A LYS 298.A N ASN 296.A O no hydrogen 2.706 N/A LEU 301.A N THR 367.A O no hydrogen 3.080 N/A VAL 303.A N ILE 365.A O no hydrogen 2.958 N/A GLN 305.A N LYS 302.A O no hydrogen 2.760 N/A LEU 306.A N LYS 302.A O no hydrogen 3.048 N/A VAL 310.A N LEU 306.A O no hydrogen 3.159 N/A SER 311.A N ALA 307.A O no hydrogen 2.925 N/A GLU 312.A N PRO 308.A O no hydrogen 2.891 N/A CYS 313.A N TYR 309.A O no hydrogen 3.019 N/A CYS 313.A SG TYR 309.A O no hydrogen 3.600 N/A THR 314.A N SER 311.A O no hydrogen 3.280 N/A THR 314.A OG1 VAL 310.A O no hydrogen 2.831 N/A TYR 316.A N SER 311.A O no hydrogen 3.260 N/A HIS 317.A NE2 ASP 391.A OD2 no hydrogen 2.662 N/A LEU 323.A N GLY 319.A O no hydrogen 2.973 N/A ALA 324.A N GLU 320.A O no hydrogen 2.678 N/A GLN 325.A N GLN 321.A O no hydrogen 3.170 N/A THR 326.A N LEU 323.A O no hydrogen 2.984 N/A THR 326.A OG1 SER 322.A O no hydrogen 3.373 N/A ILE 327.A N LEU 323.A O no hydrogen 3.196 N/A ILE 328.A N ALA 324.A O no hydrogen 2.794 N/A GLY 329.A N GLN 325.A O no hydrogen 3.053 N/A LEU 330.A N THR 326.A O no hydrogen 3.031 N/A ALA 331.A N ILE 327.A O no hydrogen 3.188 N/A ALA 331.A N ILE 328.A O no hydrogen 3.149 N/A GLN 332.A N ILE 328.A O no hydrogen 3.055 N/A GLN 332.A NE2 PHE 349.A O no hydrogen 3.191 N/A SER 337.A N PHE 334.A O no hydrogen 3.326 N/A SER 337.A OG GLN 332.A O no hydrogen 3.502 N/A SER 337.A OG PHE 334.A O no hydrogen 2.574 N/A ASN 338.A ND2 GLY 329.A O no hydrogen 3.045 N/A ASN 338.A ND2 GLN 332.A O no hydrogen 2.758 N/A ASN 339.A ND2 TRP 450.A O no hydrogen 3.633 N/A ILE 340.A N ASN 410.A OD1 no hydrogen 2.993 N/A TYR 341.A OH ASP 717.A OD1 no hydrogen 2.781 N/A LEU 344.A N GLU 368.A O no hydrogen 3.104 N/A ASN 346.A N LEU 344.A O no hydrogen 3.219 N/A ASN 346.A N TYR 366.A O no hydrogen 2.988 N/A ASN 346.A ND2 GLU 300.A OE1 no hydrogen 3.230 N/A ASN 346.A ND2 GLU 368.A OE1 no hydrogen 3.111 N/A THR 351.A N ASP 358.A OD1 no hydrogen 2.705 N/A THR 351.A OG1 ASP 358.A OD1 no hydrogen 3.329 N/A THR 351.A OG1 ASP 358.A OD2 no hydrogen 2.821 N/A ARG 352.A NH2 GLU 484.A OE1 no hydrogen 3.562 N/A ARG 352.A NH2 GLU 484.A OE2 no hydrogen 3.384 N/A THR 354.A N THR 351.A O no hydrogen 3.108 N/A THR 354.A OG1 ASP 358.A OD1 no hydrogen 3.151 N/A GLY 355.A N ARG 352.A O no hydrogen 3.163 N/A GLY 356.A N THR 351.A O no hydrogen 3.071 N/A LYS 357.A N THR 354.A OG1 no hydrogen 3.020 N/A ALA 360.A N ALA 348.A O no hydrogen 2.898 N/A TYR 364.A N ALA 361.A O no hydrogen 2.913 N/A TYR 366.A N ASN 346.A O no hydrogen 2.909 N/A THR 367.A N LEU 301.A O no hydrogen 3.199 N/A LEU 369.A N LEU 297.A O no hydrogen 2.875 N/A ASN 370.A N LEU 342.A O no hydrogen 2.794 N/A ASN 370.A ND2 TYR 341.A O no hydrogen 3.091 N/A LEU 372.A N ASN 370.A OD1 no hydrogen 2.681 N/A THR 373.A N ASN 370.A O no hydrogen 2.760 N/A THR 373.A OG1 LEU 342.A O no hydrogen 2.836 N/A ARG 374.A NH1 PHE 377.A O no hydrogen 2.880 N/A ARG 374.A NH1 ASP 382.A OD2 no hydrogen 2.929 N/A ARG 374.A NH2 ASP 382.A OD2 no hydrogen 3.058 N/A LYS 375.A N LEU 372.A O no hydrogen 2.842 N/A ILE 376.A N THR 373.A O no hydrogen 3.256 N/A PHE 377.A N THR 373.A O no hydrogen 2.946 N/A ALA 380.A N HIS 378.A ND1 no hydrogen 3.075 N/A ASP 381.A N HIS 378.A O no hydrogen 3.039 N/A ASP 382.A N PRO 379.A O no hydrogen 2.910 N/A LEU 384.A N ASP 381.A O no hydrogen 2.915 N/A TYR 387.A OH ASP 382.A O no hydrogen 2.763 N/A ILE 388.A N GLU 396.A O no hydrogen 2.939 N/A GLU 390.A N LYS 393.A O no hydrogen 2.751 N/A LYS 393.A N GLU 390.A O no hydrogen 2.985 N/A THR 394.A OG1 GLN 389.A OE1 no hydrogen 2.435 N/A VAL 395.A N ILE 388.A O no hydrogen 2.904 N/A GLU 398.A N LYS 386.A O no hydrogen 3.186 N/A TYR 400.A N ASP 279.A OD2 no hydrogen 2.833 N/A LEU 401.A N TYR 385.A OH no hydrogen 3.125 N/A ILE 403.A N ILE 376.A O no hydrogen 3.206 N/A LEU 408.A N PRO 405.A O no hydrogen 2.686 N/A VAL 409.A N PRO 405.A O no hydrogen 3.038 N/A ASN 410.A N MET 406.A O no hydrogen 2.773 N/A ASN 410.A ND2 ILE 340.A O no hydrogen 3.060 N/A GLY 411.A N ILE 407.A O no hydrogen 2.945 N/A ALA 412.A N ILE 423.A O no hydrogen 3.044 N/A GLY 414.A N THR 421.A O no hydrogen 3.176 N/A GLY 416.A N TRP 419.A O no hydrogen 3.031 N/A THR 417.A N ASN 270.A OD1 no hydrogen 2.915 N/A THR 417.A OG1 ASP 269.A OD2 no hydrogen 2.709 N/A THR 421.A N GLY 414.A O no hydrogen 2.972 N/A THR 421.A OG1 VAL 558.A O no hydrogen 2.766 N/A TYR 422.A N ASN 556.A O no hydrogen 2.729 N/A ILE 423.A N ALA 412.A O no hydrogen 2.987 N/A PHE 426.A N LEU 408.A O no hydrogen 2.835 N/A PHE 426.A N VAL 409.A O no hydrogen 3.140 N/A LEU 429.A N ASN 427.A OD1 no hydrogen 3.181 N/A ILE 431.A N ASN 427.A O no hydrogen 2.966 N/A ILE 432.A N PRO 428.A O no hydrogen 3.077 N/A LYS 433.A N LEU 429.A O no hydrogen 3.038 N/A LYS 433.A NZ GLU 430.A OE1 no hydrogen 3.239 N/A LYS 433.A NZ GLU 445.A OE1 no hydrogen 3.226 N/A ASN 434.A N GLU 430.A O no hydrogen 2.999 N/A ASN 434.A ND2 GLU 445.A O no hydrogen 2.776 N/A ASN 434.A ND2 ASN 573.A OD1 no hydrogen 3.205 N/A ILE 435.A N ILE 431.A O no hydrogen 2.970 N/A ARG 436.A N ILE 432.A O no hydrogen 2.936 N/A ARG 436.A NE ASN 700.A OD1 no hydrogen 3.082 N/A ARG 436.A NH1 GLU 707.A OE2 no hydrogen 3.207 N/A ARG 436.A NH2 GLU 707.A OE2 no hydrogen 3.500 N/A HIS 437.A N LYS 433.A O no hydrogen 2.977 N/A HIS 437.A ND1 GLU 442.A OE1 no hydrogen 2.938 N/A HIS 437.A NE2 GLU 445.A OE2 no hydrogen 2.751 N/A LEU 438.A N ASN 434.A O no hydrogen 2.784 N/A MET 439.A N ILE 435.A O no hydrogen 2.875 N/A ASN 440.A N ARG 436.A O no hydrogen 3.141 N/A ASN 440.A N HIS 437.A O no hydrogen 3.257 N/A ASP 441.A N LEU 438.A O no hydrogen 3.497 N/A GLU 442.A N HIS 437.A O no hydrogen 2.838 N/A TRP 450.A N PRO 425.A O no hydrogen 2.856 N/A ARG 452.A NE ASP 717.A OD1 no hydrogen 3.364 N/A ARG 452.A NE ASP 717.A OD2 no hydrogen 2.917 N/A ARG 452.A NH2 ASN 333.A O no hydrogen 2.238 N/A ARG 452.A NH2 ASP 717.A OD1 no hydrogen 3.215 N/A ARG 452.A NH2 ASP 717.A OD2 no hydrogen 3.524 N/A TRP 454.A N PHE 451.A O no hydrogen 3.044 N/A TRP 454.A NE1 LEU 485.A O no hydrogen 2.970 N/A THR 455.A OG1 GLU 484.A OE1 no hydrogen 3.562 N/A THR 457.A N TYR 469.A O no hydrogen 3.326 N/A GLU 459.A N ARG 467.A O no hydrogen 2.966 N/A ILE 461.A N ARG 465.A O no hydrogen 3.036 N/A ARG 465.A N GLU 462.A O no hydrogen 2.990 N/A TYR 466.A N ILE 552.A O no hydrogen 2.870 N/A TYR 466.A OH HIS 448.A ND1 no hydrogen 2.743 N/A ARG 467.A N GLU 459.A O no hydrogen 2.891 N/A MET 468.A N SER 550.A O no hydrogen 2.715 N/A TYR 469.A N THR 457.A O no hydrogen 2.791 N/A GLY 470.A N LEU 548.A O no hydrogen 3.113 N/A ARG 471.A N GLU 484.A O no hydrogen 2.566 N/A ARG 471.A NH2 THR 483.A O no hydrogen 3.179 N/A ILE 472.A N TYR 543.A OH no hydrogen 3.462 N/A GLU 473.A N GLU 481.A O no hydrogen 3.095 N/A GLN 474.A NE2 GLY 476.A O no hydrogen 3.186 N/A ILE 475.A N VAL 479.A O no hydrogen 2.825 N/A VAL 479.A N GLY 476.A O no hydrogen 3.239 N/A LEU 480.A N ILE 527.A O no hydrogen 2.707 N/A GLU 481.A N GLU 473.A O no hydrogen 2.784 N/A ILE 482.A N PHE 525.A O no hydrogen 2.831 N/A THR 483.A N ARG 471.A O no hydrogen 2.958 N/A ARG 488.A NE GLY 336.A O no hydrogen 3.087 N/A THR 489.A N PRO 486.A O no hydrogen 3.033 N/A SER 492.A N ALA 353.A O no hydrogen 3.239 N/A SER 492.A OG ALA 353.A O no hydrogen 2.788 N/A THR 493.A N TRP 490.A O no hydrogen 3.276 N/A ILE 494.A N TRP 490.A O no hydrogen 3.480 N/A LYS 495.A N THR 491.A O no hydrogen 2.756 N/A GLU 496.A N SER 492.A O no hydrogen 3.051 N/A TYR 497.A N THR 493.A O no hydrogen 3.405 N/A TYR 497.A OH ARG 545.A O no hydrogen 2.698 N/A LEU 498.A N ILE 494.A O no hydrogen 3.067 N/A LEU 499.A N LYS 495.A O no hydrogen 2.927 N/A LEU 500.A N GLU 496.A O no hydrogen 3.037 N/A GLY 501.A N TYR 497.A O no hydrogen 2.951 N/A LEU 502.A N LEU 499.A O no hydrogen 3.177 N/A SER 503.A N LEU 499.A O no hydrogen 3.089 N/A SER 503.A OG LEU 499.A O no hydrogen 3.088 N/A SER 503.A OG GLY 504.A O no hydrogen 3.556 N/A GLY 504.A N LEU 500.A O no hydrogen 2.671 N/A ASN 505.A N ILE 508.A O no hydrogen 2.675 N/A ASP 506.A N ASN 505.A OD1 no hydrogen 2.511 N/A TRP 511.A N GLY 501.A O no hydrogen 2.808 N/A ILE 512.A N GLY 501.A O no hydrogen 2.812 N/A LYS 513.A N THR 528.A O no hydrogen 3.092 N/A GLU 516.A N ILE 526.A O no hydrogen 3.021 N/A GLN 518.A N LYS 524.A O no hydrogen 3.031 N/A HIS 519.A NE2 GLU 517.A OE2 no hydrogen 3.060 N/A ASP 520.A N ASN 522.A O no hydrogen 2.948 N/A ASP 520.A N ASN 522.A OD1 no hydrogen 3.084 N/A LYS 524.A N HIS 519.A ND1 no hydrogen 2.768 N/A PHE 525.A N ILE 482.A O no hydrogen 2.994 N/A ILE 526.A N GLU 516.A O no hydrogen 2.967 N/A ILE 527.A N LEU 480.A O no hydrogen 2.625 N/A THR 528.A N ASP 514.A O no hydrogen 2.811 N/A LEU 529.A N ASN 478.A O no hydrogen 3.034 N/A GLU 532.A N GLU 532.A OE1 no hydrogen 2.945 N/A GLU 533.A N SER 530.A OG no hydrogen 2.962 N/A MET 534.A N SER 530.A O no hydrogen 2.834 N/A ALA 535.A N PRO 531.A O no hydrogen 3.225 N/A LYS 536.A N GLU 532.A O no hydrogen 3.171 N/A THR 537.A N GLU 533.A O no hydrogen 3.026 N/A THR 537.A OG1 GLU 533.A O no hydrogen 2.673 N/A ARG 538.A N MET 534.A O no hydrogen 3.291 N/A LYS 539.A N ALA 535.A O no hydrogen 3.442 N/A ILE 540.A N LYS 536.A O no hydrogen 3.113 N/A GLY 541.A N ARG 538.A O no hydrogen 3.281 N/A GLU 544.A N GLU 544.A OE1 no hydrogen 2.719 N/A ARG 545.A N GLY 541.A O no hydrogen 3.110 N/A ARG 545.A NH1 GLU 533.A OE1 no hydrogen 2.873 N/A ARG 545.A NH1 THR 537.A OG1 no hydrogen 2.874 N/A ARG 545.A NH2 GLU 533.A OE1 no hydrogen 3.171 N/A PHE 546.A N PHE 542.A O no hydrogen 3.066 N/A LYS 547.A N GLU 544.A O no hydrogen 3.364 N/A LEU 548.A N TYR 543.A O no hydrogen 2.927 N/A SER 550.A N MET 468.A O no hydrogen 3.054 N/A ILE 552.A N TYR 466.A O no hydrogen 2.922 N/A LEU 554.A N LEU 464.A O no hydrogen 2.953 N/A MET 555.A N SER 553.A OG no hydrogen 3.159 N/A VAL 558.A N THR 421.A OG1 no hydrogen 3.380 N/A ALA 559.A N LYS 567.A O no hydrogen 3.109 N/A PHE 560.A N PRO 275.A O no hydrogen 2.983 N/A ASP 561.A N LYS 565.A O no hydrogen 2.880 N/A GLY 564.A N ASP 561.A O no hydrogen 2.861 N/A LYS 565.A N ASP 561.A OD1 no hydrogen 2.994 N/A LYS 567.A N ALA 559.A O no hydrogen 2.986 N/A LYS 567.A NZ GLU 578.A OE1 no hydrogen 3.484 N/A LYS 567.A NZ GLU 578.A OE2 no hydrogen 3.066 N/A TYR 569.A N MET 557.A O no hydrogen 2.855 N/A TYR 569.A OH GLU 578.A OE2 no hydrogen 2.765 N/A ASN 570.A N GLU 574.A OE1 no hydrogen 3.447 N/A ASN 573.A ND2 GLU 445.A O no hydrogen 3.436 N/A GLU 574.A N SER 571.A OG no hydrogen 2.945 N/A LEU 576.A N VAL 572.A O no hydrogen 3.111 N/A SER 577.A N ASN 573.A O no hydrogen 2.845 N/A SER 577.A OG ASN 573.A O no hydrogen 3.444 N/A GLU 578.A N GLU 574.A O no hydrogen 3.423 N/A PHE 579.A N ILE 575.A O no hydrogen 3.047 N/A TYR 580.A N LEU 576.A O no hydrogen 2.897 N/A TYR 581.A N SER 577.A O no hydrogen 3.052 N/A VAL 582.A N GLU 578.A O no hydrogen 3.395 N/A ARG 583.A N PHE 579.A O no hydrogen 2.691 N/A ARG 583.A NH2 ASP 381.A OD2 no hydrogen 2.309 N/A ARG 583.A NH2 LEU 401.A O no hydrogen 2.751 N/A LEU 584.A N TYR 580.A O no hydrogen 2.726 N/A GLU 585.A N TYR 581.A O no hydrogen 3.357 N/A TYR 586.A N VAL 582.A O no hydrogen 3.142 N/A TYR 587.A N LEU 584.A O no hydrogen 3.192 N/A TYR 587.A OH ASP 702.A OD2 no hydrogen 3.060 N/A GLN 588.A NE2 ASP 592.A OD1 no hydrogen 3.269 N/A LYS 589.A N GLU 585.A O no hydrogen 3.131 N/A LYS 589.A NZ GLU 585.A OE2 no hydrogen 2.957 N/A ARG 590.A N TYR 586.A O no hydrogen 2.998 N/A ARG 590.A NE ASP 381.A OD1 no hydrogen 3.383 N/A ARG 590.A NH1 ASP 702.A OD2 no hydrogen 2.747 N/A ARG 590.A NH2 ASP 381.A OD2 no hydrogen 2.833 N/A ARG 590.A NH2 ASP 702.A OD2 no hydrogen 3.201 N/A LYS 591.A N TYR 587.A O no hydrogen 2.984 N/A LYS 591.A NZ LEU 691.A O no hydrogen 3.119 N/A LYS 591.A NZ LEU 693.A O no hydrogen 2.650 N/A ASP 592.A N GLN 588.A O no hydrogen 2.843 N/A HIS 593.A N LYS 589.A O no hydrogen 2.816 N/A MET 594.A N ARG 590.A O no hydrogen 2.812 N/A SER 595.A N LYS 591.A O no hydrogen 2.984 N/A SER 595.A OG LYS 591.A O no hydrogen 3.226 N/A SER 595.A OG ASP 592.A O no hydrogen 3.190 N/A GLU 596.A N ASP 592.A O no hydrogen 3.106 N/A ARG 597.A N HIS 593.A O no hydrogen 3.402 N/A LEU 598.A N MET 594.A O no hydrogen 3.258 N/A GLN 599.A N SER 595.A O no hydrogen 2.917 N/A TRP 600.A N GLU 596.A O no hydrogen 3.082 N/A GLU 601.A N ARG 597.A O no hydrogen 3.141 N/A GLU 601.A N LEU 598.A O no hydrogen 3.002 N/A VAL 602.A N LEU 598.A O no hydrogen 2.945 N/A GLU 603.A N GLN 599.A O no hydrogen 3.139 N/A LYS 604.A N TRP 600.A O no hydrogen 2.956 N/A TYR 605.A N GLU 601.A O no hydrogen 2.781 N/A SER 606.A N VAL 602.A O no hydrogen 2.881 N/A SER 606.A OG VAL 602.A O no hydrogen 2.654 N/A PHE 607.A N GLU 603.A O no hydrogen 3.234 N/A PHE 607.A N LYS 604.A O no hydrogen 3.020 N/A GLN 608.A N LYS 604.A O no hydrogen 3.095 N/A VAL 609.A N TYR 605.A O no hydrogen 2.856 N/A LYS 610.A N SER 606.A O no hydrogen 2.971 N/A PHE 611.A N PHE 607.A O no hydrogen 2.803 N/A ILE 612.A N GLN 608.A O no hydrogen 2.773 N/A LYS 613.A N VAL 609.A O no hydrogen 2.739 N/A LYS 613.A NZ GLU 617.A OE1 no hydrogen 2.756 N/A MET 614.A N LYS 610.A O no hydrogen 2.845 N/A ILE 615.A N PHE 611.A O no hydrogen 3.291 N/A ILE 616.A N ILE 612.A O no hydrogen 2.795 N/A GLU 617.A N LYS 613.A O no hydrogen 3.143 N/A LYS 618.A N ILE 615.A O no hydrogen 2.612 N/A GLU 619.A N MET 614.A O no hydrogen 2.575 N/A LEU 620.A N MET 614.A O no hydrogen 3.345 N/A LYS 625.A N VAL 622.A O no hydrogen 2.993 N/A LYS 625.A NZ THR 621.A O no hydrogen 3.431 N/A LYS 625.A NZ THR 621.A OG1 no hydrogen 3.009 N/A LYS 625.A NZ GLU 633.A OE1 no hydrogen 3.037 N/A LYS 625.A NZ GLU 633.A OE2 no hydrogen 3.460 N/A ILE 630.A N PRO 626.A O no hydrogen 2.938 N/A ILE 631.A N ARG 627.A O no hydrogen 3.060 N/A GLN 632.A N ASN 628.A O no hydrogen 2.655 N/A LEU 634.A N ILE 630.A O no hydrogen 3.210 N/A GLU 635.A N ILE 631.A O no hydrogen 3.224 N/A ASN 636.A N GLN 632.A O no hydrogen 3.424 N/A LEU 637.A N GLU 633.A O no hydrogen 3.404 N/A GLY 638.A N GLU 635.A O no hydrogen 3.054 N/A ARG 641.A N TYR 649.A O no hydrogen 2.836 N/A PHE 642.A N THR 656.A O no hydrogen 3.082 N/A ASN 643.A N LYS 647.A O no hydrogen 3.466 N/A LYS 647.A N ASN 643.A OD1 no hydrogen 2.858 N/A TYR 649.A N ARG 641.A O no hydrogen 3.360 N/A TYR 650.A OH GLU 603.A OE2 no hydrogen 2.631 N/A THR 656.A N PHE 642.A O no hydrogen 2.802 N/A TYR 657.A OH PHE 639.A O no hydrogen 2.913 N/A TYR 659.A OH PRO 640.A O no hydrogen 2.982 N/A LEU 660.A N TYR 657.A O no hydrogen 2.935 N/A LEU 661.A N TYR 657.A O no hydrogen 2.760 N/A GLY 662.A N GLU 658.A O no hydrogen 2.992 N/A SER 667.A N ARG 664.A O no hydrogen 3.257 N/A THR 669.A N SER 667.A O no hydrogen 2.906 N/A THR 669.A OG1 GLU 671.A OE1 no hydrogen 3.166 N/A GLU 671.A N GLU 671.A OE1 no hydrogen 2.768 N/A ARG 672.A N THR 669.A O no hydrogen 3.075 N/A ARG 672.A N THR 669.A OG1 no hydrogen 2.912 N/A TYR 673.A N THR 669.A O no hydrogen 3.010 N/A GLN 674.A N LYS 670.A O no hydrogen 2.806 N/A LYS 675.A N GLU 671.A O no hydrogen 3.073 N/A LEU 676.A N ARG 672.A O no hydrogen 2.649 N/A LEU 677.A N TYR 673.A O no hydrogen 3.075 N/A LYS 678.A N GLN 674.A O no hydrogen 2.902 N/A LYS 678.A NZ GLU 682.A OE2 no hydrogen 3.274 N/A GLN 679.A N LYS 675.A O no hydrogen 3.189 N/A LYS 680.A N LEU 676.A O no hydrogen 2.949 N/A GLN 681.A N LEU 677.A O no hydrogen 3.089 N/A GLU 682.A N GLN 679.A O no hydrogen 3.342 N/A LYS 683.A N GLN 679.A O no hydrogen 2.859 N/A LYS 683.A NZ GLU 601.A OE1 no hydrogen 2.877 N/A THR 685.A N GLN 681.A O no hydrogen 3.308 N/A THR 685.A OG1 GLN 681.A O no hydrogen 2.706 N/A GLU 686.A N GLU 682.A O no hydrogen 2.986 N/A GLU 688.A N GLU 684.A O no hydrogen 2.941 N/A ASN 689.A N THR 685.A O no hydrogen 2.962 N/A LEU 690.A N GLU 686.A O no hydrogen 3.230 N/A LEU 691.A N LEU 687.A O no hydrogen 3.049 N/A LYS 692.A N ASN 689.A O no hydrogen 2.950 N/A SER 694.A N ASP 697.A OD2 no hydrogen 3.196 N/A LYS 696.A NZ MET 439.A O no hydrogen 2.745 N/A ASP 697.A N SER 694.A OG no hydrogen 3.405 N/A ILE 698.A N SER 694.A O no hydrogen 3.077 N/A TRP 699.A N ALA 695.A O no hydrogen 2.908 N/A TRP 699.A NE1 ILE 403.A O no hydrogen 3.068 N/A ASN 700.A N LYS 696.A O no hydrogen 2.905 N/A THR 701.A N ASP 697.A O no hydrogen 3.205 N/A THR 701.A OG1 ASP 697.A O no hydrogen 2.977 N/A ASP 702.A N ILE 698.A O no hydrogen 3.135 N/A LEU 703.A N TRP 699.A O no hydrogen 2.930 N/A LYS 704.A N ASN 700.A O no hydrogen 2.927 N/A ALA 705.A N THR 701.A O no hydrogen 3.233 N/A PHE 706.A N ASP 702.A O no hydrogen 2.856 N/A GLU 707.A N LEU 703.A O no hydrogen 2.816 N/A VAL 708.A N LYS 704.A O no hydrogen 3.134 N/A GLY 709.A N ALA 705.A O no hydrogen 3.079 N/A TYR 710.A N PHE 706.A O no hydrogen 2.678 N/A GLN 711.A N GLU 707.A O no hydrogen 3.317 N/A GLN 711.A N VAL 708.A O no hydrogen 2.884 N/A GLU 712.A N VAL 708.A O no hydrogen 3.342 N/A PHE 713.A N GLY 709.A O no hydrogen 2.886 N/A LEU 714.A N TYR 710.A O no hydrogen 3.004 N/A GLN 715.A N GLN 711.A O no hydrogen 3.046 N/A ARG 716.A N GLU 712.A O no hydrogen 3.076 N/A ARG 716.A N PHE 713.A O no hydrogen 3.181 N/A ARG 716.A NE GLU 712.A O no hydrogen 3.239 N/A ASP 717.A N PHE 713.A O no hydrogen 3.023 N/A ALA 718.A N LEU 714.A O no hydrogen 2.955 N/A GLU 719.A N GLN 715.A O no hydrogen 3.199 N/A ALA 720.A N ARG 716.A O no hydrogen 2.945 N/A ALA 720.A N ASP 717.A O no hydrogen 3.209 N/A