Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bq1_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 1.A OE1 no hydrogen 2.962 N/A THR 2.A OG1 GLU 1.A OE1 no hydrogen 3.288 N/A ALA 7.A N ASP 4.A O no hydrogen 2.666 N/A LEU 8.A N ASP 4.A O no hydrogen 2.922 N/A ASN 9.A N TYR 5.A O no hydrogen 2.762 N/A ALA 10.A N HIS 6.A O no hydrogen 3.368 N/A MET 11.A N LEU 8.A O no hydrogen 3.273 N/A LEU 12.A N ASN 9.A O no hydrogen 3.068 N/A ASN 13.A N ALA 10.A O no hydrogen 3.176 N/A GLY 19.A N ASP 16.A O no hydrogen 2.771 N/A HIS 20.A N ASP 16.A O no hydrogen 3.457 N/A ILE 21.A N ASN 605.A OD1 no hydrogen 2.975 N/A LYS 25.A N GLN 22.A O no hydrogen 2.918 N/A ASP 26.A N PHE 23.A O no hydrogen 2.743 N/A GLN 28.A N ASP 24.A O no hydrogen 3.163 N/A ALA 29.A N LYS 25.A O no hydrogen 3.120 N/A ILE 30.A N ASP 26.A O no hydrogen 3.004 N/A ASP 31.A N GLN 27.A O no hydrogen 3.242 N/A ALA 32.A N GLN 28.A O no hydrogen 3.057 N/A PHE 33.A N ALA 29.A O no hydrogen 2.585 N/A PHE 34.A N ILE 30.A O no hydrogen 3.000 N/A ALA 35.A N ALA 32.A O no hydrogen 2.988 N/A THR 36.A OG1 ALA 32.A O no hydrogen 2.591 N/A HIS 37.A N PHE 33.A O no hydrogen 3.195 N/A VAL 38.A N PHE 33.A O no hydrogen 3.131 N/A ARG 39.A N PHE 34.A O no hydrogen 3.020 N/A HIS 41.A N VAL 38.A O no hydrogen 2.879 N/A SER 42.A N VAL 38.A O no hydrogen 2.866 N/A SER 42.A OG VAL 38.A O no hydrogen 3.414 N/A SER 47.A OG GLU 50.A OE1 no hydrogen 3.424 N/A HIS 49.A N SER 47.A OG no hydrogen 2.671 N/A ARG 51.A N SER 47.A O no hydrogen 3.206 N/A ARG 51.A NH1 GLN 48.A OE1 no hydrogen 2.788 N/A ARG 51.A NH2 TYR 61.A OH no hydrogen 2.803 N/A LEU 52.A N GLN 48.A O no hydrogen 2.572 N/A GLY 53.A N HIS 49.A O no hydrogen 2.974 N/A THR 54.A N GLU 50.A O no hydrogen 2.631 N/A THR 54.A OG1 GLU 50.A O no hydrogen 3.055 N/A LEU 55.A N ARG 51.A O no hydrogen 3.242 N/A VAL 56.A N LEU 52.A O no hydrogen 3.021 N/A VAL 56.A N GLY 53.A O no hydrogen 3.144 N/A ARG 57.A N GLY 53.A O no hydrogen 2.943 N/A GLU 58.A N THR 54.A O no hydrogen 2.827 N/A GLY 59.A N VAL 56.A O no hydrogen 3.176 N/A TYR 60.A N LEU 55.A O no hydrogen 3.202 N/A TYR 61.A N LEU 55.A O no hydrogen 3.021 N/A TYR 61.A OH GLU 113.A OE1 no hydrogen 2.651 N/A ASP 62.A N GLY 157.A O no hydrogen 2.928 N/A ALA 64.A N ASP 62.A OD2 no hydrogen 3.220 N/A ALA 67.A N ASP 63.A O no hydrogen 3.299 N/A ARG 68.A N VAL 65.A O no hydrogen 3.170 N/A ARG 68.A NE GLN 128.A O no hydrogen 2.891 N/A TYR 69.A N LEU 66.A O no hydrogen 2.647 N/A TYR 69.A OH LEU 124.A O no hydrogen 2.464 N/A PHE 73.A N ASP 70.A O no hydrogen 2.518 N/A ARG 76.A N ALA 72.A O no hydrogen 3.104 N/A LEU 77.A N PHE 73.A O no hydrogen 2.853 N/A PHE 78.A N VAL 74.A O no hydrogen 2.910 N/A GLU 79.A N LEU 75.A O no hydrogen 3.371 N/A HIS 80.A NE2 ASP 139.A OD1 no hydrogen 3.207 N/A ALA 81.A N LEU 77.A O no hydrogen 3.024 N/A ALA 81.A N PHE 78.A O no hydrogen 3.082 N/A HIS 82.A N PHE 78.A O no hydrogen 3.064 N/A HIS 82.A NE2 ASP 117.A OD1 no hydrogen 2.835 N/A HIS 82.A NE2 ASP 117.A OD2 no hydrogen 3.238 N/A SER 84.A N ALA 81.A O no hydrogen 2.623 N/A SER 84.A OG ALA 81.A O no hydrogen 2.666 N/A PHE 91.A N ASP 26.A OD1 no hydrogen 3.150 N/A TRP 95.A N PHE 91.A O no hydrogen 2.955 N/A LYS 96.A N LEU 92.A O no hydrogen 2.522 N/A LYS 96.A NZ SER 567.A OG no hydrogen 2.944 N/A LYS 96.A NZ GLU 590.A OE2 no hydrogen 3.184 N/A PHE 97.A N GLY 93.A O no hydrogen 2.767 N/A TYR 98.A N ALA 94.A O no hydrogen 2.998 N/A TYR 98.A OH HIS 114.A ND1 no hydrogen 2.794 N/A THR 99.A N TRP 95.A O no hydrogen 3.039 N/A THR 99.A OG1 TRP 95.A O no hydrogen 2.956 N/A SER 100.A N LYS 96.A O no hydrogen 3.051 N/A TYR 101.A N PHE 97.A O no hydrogen 2.737 N/A TYR 101.A OH THR 150.A OG1 no hydrogen 2.843 N/A THR 102.A N PHE 97.A O no hydrogen 2.959 N/A LEU 103.A N GLU 113.A OE2 no hydrogen 3.161 N/A LYS 104.A NZ THR 99.A O no hydrogen 3.321 N/A THR 105.A N ARG 110.A O no hydrogen 3.228 N/A THR 105.A OG1 ASP 107.A OD2 no hydrogen 2.467 N/A PHE 106.A N TYR 60.A OH no hydrogen 3.518 N/A GLY 108.A N THR 105.A OG1 no hydrogen 2.965 N/A TYR 111.A N HIS 41.A O no hydrogen 3.095 N/A TYR 111.A OH HIS 37.A NE2 no hydrogen 3.070 N/A LEU 112.A N LEU 103.A O no hydrogen 2.892 N/A HIS 114.A N ASP 117.A OD2 no hydrogen 3.140 N/A ASP 117.A N HIS 114.A O no hydrogen 2.769 N/A ARG 118.A N HIS 114.A O no hydrogen 3.094 N/A ARG 118.A NE GLU 113.A OE1 no hydrogen 3.310 N/A ARG 118.A NE GLU 113.A OE2 no hydrogen 2.497 N/A ARG 118.A NH1 PHE 153.A O no hydrogen 2.670 N/A ARG 118.A NH1 CYS 156.A O no hydrogen 3.203 N/A ARG 118.A NH2 GLU 113.A OE1 no hydrogen 3.115 N/A ARG 118.A NH2 GLU 113.A OE2 no hydrogen 3.207 N/A ARG 118.A NH2 CYS 156.A O no hydrogen 3.145 N/A VAL 119.A N PHE 115.A O no hydrogen 3.244 N/A THR 120.A N GLU 116.A O no hydrogen 3.467 N/A THR 120.A OG1 GLU 116.A O no hydrogen 2.513 N/A THR 120.A OG1 ASP 117.A O no hydrogen 3.292 N/A MET 121.A N ASP 117.A O no hydrogen 3.119 N/A VAL 122.A N ARG 118.A O no hydrogen 3.058 N/A ALA 123.A N VAL 119.A O no hydrogen 2.668 N/A LEU 124.A N THR 120.A O no hydrogen 2.859 N/A THR 125.A N MET 121.A O no hydrogen 2.963 N/A THR 125.A OG1 MET 121.A O no hydrogen 2.920 N/A LEU 126.A N VAL 122.A O no hydrogen 2.839 N/A GLN 128.A N THR 125.A O no hydrogen 3.444 N/A ASP 130.A N ALA 127.A O no hydrogen 2.758 N/A LEU 133.A N ASP 130.A O no hydrogen 2.807 N/A ALA 134.A N ASP 130.A O no hydrogen 2.662 N/A THR 135.A N GLU 131.A O no hydrogen 3.379 N/A LEU 137.A N LEU 133.A O no hydrogen 3.171 N/A THR 138.A N ALA 134.A O no hydrogen 3.452 N/A THR 138.A OG1 ALA 134.A O no hydrogen 2.464 N/A THR 138.A OG1 THR 135.A O no hydrogen 2.803 N/A ASP 139.A N THR 135.A O no hydrogen 3.118 N/A GLU 140.A N GLN 136.A O no hydrogen 2.922 N/A MET 141.A N LEU 137.A O no hydrogen 2.898 N/A LEU 142.A N THR 138.A O no hydrogen 3.120 N/A SER 143.A N ASP 139.A O no hydrogen 2.828 N/A SER 143.A OG ASP 139.A O no hydrogen 3.505 N/A GLY 144.A N MET 141.A O no hydrogen 3.239 N/A ARG 145.A N GLU 140.A O no hydrogen 2.858 N/A ARG 145.A NE GLU 140.A OE1 no hydrogen 2.749 N/A ARG 145.A NH2 GLU 140.A OE2 no hydrogen 3.129 N/A PHE 146.A N GLU 140.A O no hydrogen 2.997 N/A GLN 147.A N SER 395.A O no hydrogen 2.734 N/A ALA 149.A N LEU 393.A O no hydrogen 3.360 N/A THR 150.A OG1 TYR 101.A OH no hydrogen 2.843 N/A THR 152.A OG1 LEU 164.A O no hydrogen 2.817 N/A PHE 153.A N ALA 149.A O no hydrogen 3.017 N/A LEU 154.A N THR 150.A O no hydrogen 3.179 N/A ASN 155.A N PRO 151.A O no hydrogen 2.991 N/A ASN 155.A ND2 GLU 163.A O no hydrogen 2.739 N/A CYS 156.A N THR 152.A O no hydrogen 3.201 N/A CYS 156.A SG THR 152.A O no hydrogen 3.235 N/A LYS 158.A N ASN 155.A O no hydrogen 3.232 N/A LYS 158.A NZ TYR 101.A O no hydrogen 3.094 N/A LYS 158.A NZ LEU 154.A O no hydrogen 2.681 N/A GLN 159.A N TYR 60.A O no hydrogen 2.688 N/A GLY 162.A N ASN 155.A OD1 no hydrogen 2.674 N/A LEU 164.A N GLU 163.A OE1 no hydrogen 3.368 N/A PHE 168.A N GLY 195.A O no hydrogen 2.868 N/A LEU 169.A N ILE 389.A O no hydrogen 2.538 N/A LEU 170.A N ALA 197.A O no hydrogen 3.212 N/A ARG 171.A N ASP 388.A OD1 no hydrogen 2.808 N/A ARG 171.A NE GLU 173.A OE2 no hydrogen 3.076 N/A ARG 171.A NH1 ASN 371.A OD1 no hydrogen 2.525 N/A ARG 171.A NH2 ASP 300.A OD1 no hydrogen 2.908 N/A ARG 171.A NH2 ASP 300.A OD2 no hydrogen 2.979 N/A ILE 172.A N LEU 199.A O no hydrogen 3.473 N/A GLU 173.A N SER 178.A OG no hydrogen 3.089 N/A ASN 175.A N GLU 173.A O no hydrogen 2.763 N/A SER 178.A N ASN 175.A OD1 no hydrogen 2.614 N/A ILE 179.A N ASN 175.A O no hydrogen 3.120 N/A GLY 180.A N MET 176.A O no hydrogen 2.880 N/A ARG 181.A N GLU 177.A O no hydrogen 2.776 N/A ARG 181.A NE LEU 380.A O no hydrogen 2.986 N/A ARG 181.A NH2 LEU 380.A O no hydrogen 2.962 N/A ALA 182.A N SER 178.A O no hydrogen 2.779 N/A VAL 183.A N ILE 179.A O no hydrogen 2.844 N/A ASN 184.A N GLY 180.A O no hydrogen 2.888 N/A ASN 184.A ND2 GLN 188.A OE1 no hydrogen 3.571 N/A SER 185.A N ARG 181.A O no hydrogen 2.572 N/A SER 185.A OG ARG 181.A O no hydrogen 2.798 N/A ALA 186.A N ALA 182.A O no hydrogen 3.018 N/A GLN 188.A N ASN 184.A O no hydrogen 2.996 N/A LEU 189.A N SER 185.A O no hydrogen 3.012 N/A SER 190.A N ALA 186.A O no hydrogen 2.614 N/A SER 190.A OG ALA 234.A O no hydrogen 2.915 N/A LYS 191.A N LEU 187.A O no hydrogen 3.407 N/A GLY 193.A N SER 190.A O no hydrogen 3.009 N/A GLY 194.A N LEU 189.A O no hydrogen 2.765 N/A ALA 197.A N PHE 168.A O no hydrogen 2.836 N/A PHE 198.A N ALA 240.A O no hydrogen 2.979 N/A LEU 200.A N TYR 242.A O no hydrogen 3.108 N/A ASN 202.A ND2 ILE 172.A O no hydrogen 3.551 N/A ASN 202.A ND2 GLU 173.A OE2 no hydrogen 2.918 N/A LEU 203.A N LEU 200.A O no hydrogen 3.016 N/A GLU 205.A N GLU 205.A OE2 no hydrogen 3.125 N/A ALA 206.A N ASP 249.A OD1 no hydrogen 3.069 N/A GLY 207.A N SER 217.A O no hydrogen 3.409 N/A GLN 216.A N ALA 208.A O no hydrogen 2.714 N/A SER 217.A N ALA 208.A O no hydrogen 2.675 N/A VAL 220.A N ASP 249.A OD2 no hydrogen 3.049 N/A MET 224.A N VAL 220.A O no hydrogen 3.420 N/A LYS 225.A N ILE 221.A O no hydrogen 3.162 N/A LEU 227.A N VAL 223.A O no hydrogen 3.262 N/A GLU 228.A N MET 224.A O no hydrogen 2.757 N/A ASP 229.A N LYS 225.A O no hydrogen 3.009 N/A ALA 230.A N MET 226.A O no hydrogen 2.870 N/A PHE 231.A N LEU 227.A O no hydrogen 2.887 N/A SER 232.A N GLU 228.A O no hydrogen 2.737 N/A SER 232.A OG GLU 228.A O no hydrogen 3.477 N/A TYR 233.A N ALA 230.A O no hydrogen 3.259 N/A ALA 234.A N ALA 230.A O no hydrogen 3.031 N/A ALA 240.A N VAL 196.A O no hydrogen 2.978 N/A VAL 241.A N SER 263.A O no hydrogen 2.602 N/A TYR 242.A N PHE 198.A O no hydrogen 2.937 N/A TYR 242.A OH ASN 362.A O no hydrogen 2.666 N/A LEU 243.A N GLY 265.A O no hydrogen 2.838 N/A HIS 244.A NE2 GLU 345.A OE1 no hydrogen 2.576 N/A ALA 245.A N VAL 267.A O no hydrogen 2.918 N/A HIS 246.A N HIS 244.A ND1 no hydrogen 2.924 N/A HIS 246.A ND1 ALA 283.A O no hydrogen 2.256 N/A HIS 246.A NE2 THR 272.A OG1 no hydrogen 2.790 N/A HIS 247.A N HIS 244.A O no hydrogen 3.126 N/A ASP 249.A N HIS 247.A ND1 no hydrogen 3.035 N/A ILE 250.A N HIS 247.A O no hydrogen 2.863 N/A PHE 253.A N ASP 249.A O no hydrogen 2.977 N/A LEU 254.A N ILE 250.A O no hydrogen 2.691 N/A ASP 255.A N LEU 251.A O no hydrogen 2.742 N/A THR 256.A OG1 PHE 253.A O no hydrogen 3.160 N/A LYS 257.A N LEU 254.A O no hydrogen 3.395 N/A LYS 257.A NZ ILE 259.A O no hydrogen 2.767 N/A ARG 258.A N ASP 255.A O no hydrogen 3.144 N/A LYS 260.A N GLU 228.A OE1 no hydrogen 3.395 N/A LYS 260.A N GLU 228.A OE2 no hydrogen 3.255 N/A THR 261.A N GLU 228.A OE1 no hydrogen 2.771 N/A THR 261.A OG1 GLU 228.A OE1 no hydrogen 2.580 N/A SER 263.A N GLY 239.A O no hydrogen 2.998 N/A SER 263.A OG GLY 239.A O no hydrogen 3.320 N/A GLY 265.A N VAL 241.A O no hydrogen 3.024 N/A VAL 266.A N TYR 341.A O no hydrogen 2.709 N/A VAL 267.A N LEU 243.A O no hydrogen 2.896 N/A ILE 268.A N MET 343.A O no hydrogen 2.987 N/A ASP 270.A N ASP 346.A OD1 no hydrogen 3.222 N/A ILE 271.A N SER 304.A OG no hydrogen 3.184 N/A THR 272.A N PRO 269.A O no hydrogen 3.053 N/A THR 272.A OG1 HIS 246.A NE2 no hydrogen 2.790 N/A THR 272.A OG1 PRO 269.A O no hydrogen 3.370 N/A ARG 274.A N ASP 270.A O no hydrogen 3.239 N/A LEU 275.A N ILE 271.A O no hydrogen 3.027 N/A ALA 276.A N THR 272.A O no hydrogen 2.901 N/A LYS 277.A N PHE 273.A O no hydrogen 2.709 N/A ALA 280.A N LEU 275.A O no hydrogen 2.930 N/A MET 282.A N ILE 321.A O no hydrogen 2.601 N/A LEU 284.A N THR 319.A O no hydrogen 2.622 N/A PHE 285.A N HIS 246.A O no hydrogen 3.233 N/A SER 286.A N ARG 317.A O no hydrogen 3.187 N/A SER 286.A OG GLU 205.A OE2 no hydrogen 3.072 N/A SER 286.A OG ASP 289.A OD2 no hydrogen 3.122 N/A ASP 289.A N SER 286.A OG no hydrogen 2.749 N/A ILE 290.A N SER 286.A O no hydrogen 3.232 N/A GLN 291.A N PRO 287.A O no hydrogen 3.429 N/A GLN 291.A NE2 GLN 291.A O no hydrogen 3.358 N/A ARG 292.A N TYR 288.A O no hydrogen 3.197 N/A ARG 293.A NE HIS 315.A ND1 no hydrogen 3.413 N/A ARG 293.A NH1 ARG 293.A O no hydrogen 3.296 N/A TYR 294.A N ILE 290.A O no hydrogen 2.689 N/A TYR 294.A OH GLU 309.A OE1 no hydrogen 3.247 N/A TYR 294.A OH ASP 313.A OD2 no hydrogen 2.721 N/A GLY 299.A N ASN 202.A OD1 no hydrogen 2.838 N/A ASP 300.A N PRO 297.A O no hydrogen 2.829 N/A ILE 301.A N PHE 298.A O no hydrogen 3.159 N/A SER 304.A OG ASP 346.A OD1 no hydrogen 2.669 N/A ARG 306.A N ALA 302.A O no hydrogen 2.890 N/A TYR 307.A N ILE 303.A O no hydrogen 3.022 N/A LEU 310.A N ARG 306.A O no hydrogen 3.468 N/A ILE 311.A N TYR 307.A O no hydrogen 2.863 N/A ALA 312.A N ASP 308.A O no hydrogen 2.944 N/A ASP 313.A N GLU 309.A O no hydrogen 2.889 N/A HIS 315.A N ASP 313.A OD1 no hydrogen 3.283 N/A ARG 317.A NH1 LYS 318.A O no hydrogen 3.272 N/A LYS 318.A NZ ILE 311.A O no hydrogen 3.073 N/A LYS 318.A NZ ASP 313.A O no hydrogen 2.700 N/A LYS 318.A NZ VAL 316.A O no hydrogen 3.296 N/A THR 319.A N LEU 284.A O no hydrogen 2.747 N/A ALA 323.A N ALA 280.A O no hydrogen 3.400 N/A ARG 324.A NH2 ALA 276.A O no hydrogen 3.153 N/A PHE 326.A N ASN 322.A O no hydrogen 2.691 N/A PHE 326.A N ALA 323.A O no hydrogen 3.117 N/A PHE 327.A N ALA 323.A O no hydrogen 3.242 N/A GLN 328.A N ARG 324.A O no hydrogen 3.203 N/A THR 329.A N ASP 325.A O no hydrogen 2.907 N/A THR 329.A OG1 ASP 325.A O no hydrogen 2.408 N/A THR 329.A OG1 PHE 326.A O no hydrogen 3.287 N/A LEU 330.A N PHE 326.A O no hydrogen 2.861 N/A ALA 331.A N PHE 327.A O no hydrogen 3.069 N/A GLU 332.A N GLN 328.A O no hydrogen 2.787 N/A ILE 333.A N THR 329.A O no hydrogen 3.088 N/A GLN 334.A N LEU 330.A O no hydrogen 3.171 N/A GLN 334.A NE2 PRO 340.A O no hydrogen 3.012 N/A PHE 335.A N ALA 331.A O no hydrogen 2.892 N/A SER 337.A N ILE 333.A O no hydrogen 2.768 N/A SER 337.A OG LYS 257.A O no hydrogen 3.473 N/A SER 337.A OG ILE 333.A O no hydrogen 3.501 N/A GLY 338.A N GLN 334.A O no hydrogen 3.191 N/A TYR 341.A N LEU 264.A O no hydrogen 2.884 N/A ILE 342.A N LEU 667.A O no hydrogen 2.903 N/A MET 343.A N VAL 266.A O no hydrogen 3.306 N/A PHE 344.A N LYS 665.A O no hydrogen 3.347 N/A VAL 348.A N PHE 344.A O no hydrogen 3.102 N/A ASN 349.A N GLU 345.A O no hydrogen 3.051 N/A ARG 350.A N ASP 346.A O no hydrogen 2.766 N/A ARG 350.A NH2 ASP 270.A OD2 no hydrogen 2.697 N/A ASN 352.A N ASN 349.A O no hydrogen 2.631 N/A ASN 352.A ND2 ILE 354.A O no hydrogen 2.503 N/A ILE 354.A N ASN 352.A OD1 no hydrogen 3.119 N/A ILE 358.A N ASN 349.A OD1 no hydrogen 3.216 N/A ASN 359.A ND2 ASN 371.A OD1 no hydrogen 2.928 N/A SER 361.A OG ASN 362.A OD1 no hydrogen 2.941 N/A SER 361.A OG ILE 367.A O no hydrogen 2.868 N/A CYS 364.A SG TYR 668.A OH no hydrogen 3.219 N/A SER 365.A N ASN 362.A O no hydrogen 3.475 N/A SER 365.A OG CYS 364.A O no hydrogen 2.906 N/A ILE 367.A N ASN 362.A OD1 no hydrogen 2.595 N/A LEU 368.A N GLN 635.A OE1 no hydrogen 3.060 N/A GLN 369.A NE2 GLN 635.A OE1 no hydrogen 3.421 N/A ASN 371.A ND2 ASN 359.A OD1 no hydrogen 3.277 N/A SER 372.A N HIS 387.A O no hydrogen 2.956 N/A SER 374.A N GLU 173.A OE1 no hydrogen 3.371 N/A SER 374.A OG TYR 376.A OH no hydrogen 3.145 N/A ARG 375.A N HIS 384.A O no hydrogen 2.873 N/A TYR 376.A OH SER 374.A OG no hydrogen 3.145 N/A TYR 376.A OH TYR 382.A OH no hydrogen 3.174 N/A ASP 377.A N ASP 381.A O no hydrogen 2.957 N/A ASP 378.A N ASP 377.A OD1 no hydrogen 2.809 N/A LEU 380.A N ASP 377.A O no hydrogen 3.170 N/A TYR 382.A OH TYR 376.A OH no hydrogen 3.174 N/A THR 383.A N ARG 375.A O no hydrogen 2.826 N/A THR 383.A OG1 ARG 375.A O no hydrogen 3.122 N/A HIS 384.A N ARG 375.A O no hydrogen 3.013 N/A HIS 387.A N SER 372.A O no hydrogen 3.017 N/A HIS 387.A N SER 372.A OG no hydrogen 2.805 N/A ILE 389.A N LEU 169.A O no hydrogen 2.714 N/A CYS 391.A N CYS 167.A O no hydrogen 3.453 N/A CYS 391.A SG CYS 167.A O no hydrogen 3.076 N/A ASN 392.A ND2 ASN 437.A OD1 no hydrogen 3.529 N/A ASN 392.A ND2 ALA 442.A O no hydrogen 2.494 N/A GLY 394.A N GLY 444.A O no hydrogen 3.392 N/A SER 395.A N GLN 147.A O no hydrogen 2.888 N/A LEU 396.A N GLY 446.A O no hydrogen 2.764 N/A ASN 397.A N ARG 145.A O no hydrogen 2.881 N/A ASN 397.A ND2 ASN 572.A O no hydrogen 3.302 N/A ASN 397.A ND2 ASN 572.A OD1 no hydrogen 2.955 N/A ASN 397.A ND2 HIS 573.A O no hydrogen 3.213 N/A ILE 398.A N MET 448.A O no hydrogen 2.734 N/A HIS 400.A N ASN 397.A OD1 no hydrogen 2.962 N/A VAL 401.A N ASN 397.A O no hydrogen 2.774 N/A MET 402.A N ILE 398.A O no hydrogen 2.943 N/A ARG 409.A N ASP 406.A OD2 no hydrogen 2.817 N/A THR 410.A N ASP 406.A O no hydrogen 2.882 N/A THR 410.A OG1 ASP 406.A O no hydrogen 3.340 N/A VAL 411.A N ILE 407.A O no hydrogen 2.849 N/A VAL 411.A N GLY 408.A O no hydrogen 2.801 N/A GLU 412.A N GLY 408.A O no hydrogen 2.815 N/A THR 413.A N ARG 409.A O no hydrogen 3.153 N/A THR 413.A OG1 ARG 409.A O no hydrogen 2.884 N/A ILE 415.A N VAL 411.A O no hydrogen 2.707 N/A ARG 416.A N GLU 412.A O no hydrogen 2.662 N/A ARG 416.A NH2 GLU 491.A OE2 no hydrogen 3.433 N/A GLY 417.A N THR 413.A O no hydrogen 3.004 N/A LEU 418.A N ALA 414.A O no hydrogen 2.805 N/A THR 419.A N ILE 415.A O no hydrogen 2.800 N/A THR 419.A OG1 ILE 415.A O no hydrogen 3.190 N/A THR 419.A OG1 ASN 556.A OD1 no hydrogen 2.764 N/A ALA 420.A N ARG 416.A O no hydrogen 2.779 N/A VAL 421.A N LEU 418.A O no hydrogen 2.989 N/A SER 422.A OG ASN 437.A O no hydrogen 3.493 N/A SER 422.A OG ASN 437.A OD1 no hydrogen 3.424 N/A ASP 423.A N THR 419.A O no hydrogen 3.328 N/A MET 424.A N VAL 421.A O no hydrogen 3.123 N/A SER 425.A N SER 422.A O no hydrogen 3.094 N/A SER 432.A OG ASP 388.A OD2 no hydrogen 3.060 N/A ALA 434.A N VAL 430.A O no hydrogen 3.477 N/A ALA 435.A N PRO 431.A O no hydrogen 2.629 N/A GLY 436.A N SER 432.A O no hydrogen 2.701 N/A ASN 437.A N ILE 433.A O no hydrogen 2.684 N/A ASN 437.A ND2 SER 422.A O no hydrogen 3.162 N/A ASN 437.A ND2 SER 425.A O no hydrogen 3.080 N/A ALA 439.A N GLY 436.A O no hydrogen 2.995 N/A SER 440.A N GLY 436.A O no hydrogen 2.845 N/A SER 440.A OG GLY 436.A O no hydrogen 2.770 N/A ILE 443.A N ASN 558.A O no hydrogen 3.087 N/A LEU 445.A N LEU 559.A O no hydrogen 3.066 N/A GLY 446.A N GLY 394.A O no hydrogen 2.647 N/A ASN 449.A ND2 ASN 397.A OD1 no hydrogen 2.939 N/A GLY 452.A N THR 575.A OG1 no hydrogen 2.753 N/A TYR 453.A N ASN 449.A O no hydrogen 2.649 N/A LEU 454.A N LEU 450.A O no hydrogen 2.798 N/A ALA 455.A N HIS 451.A O no hydrogen 3.022 N/A ARG 456.A N GLY 452.A O no hydrogen 2.733 N/A ARG 456.A NE GLU 457.A OE1 no hydrogen 2.904 N/A ARG 456.A NH1 ASP 403.A OD1 no hydrogen 3.520 N/A ARG 456.A NH2 ASP 403.A OD1 no hydrogen 3.225 N/A ARG 456.A NH2 ASP 403.A OD2 no hydrogen 2.690 N/A GLU 457.A N TYR 453.A O no hydrogen 2.792 N/A ILE 459.A N LEU 454.A O no hydrogen 2.653 N/A TYR 461.A OH ILE 578.A O no hydrogen 2.727 N/A SER 463.A OG ALA 460.A O no hydrogen 2.975 N/A SER 463.A OG GLU 465.A OE1 no hydrogen 3.547 N/A GLU 465.A N SER 463.A OG no hydrogen 3.270 N/A ALA 466.A N SER 463.A OG no hydrogen 2.687 N/A LEU 467.A N SER 463.A O no hydrogen 3.062 N/A PHE 469.A N GLU 465.A O no hydrogen 3.115 N/A THR 470.A N ALA 466.A O no hydrogen 3.052 N/A ASN 471.A N LEU 467.A O no hydrogen 2.858 N/A LEU 472.A N ASP 468.A O no hydrogen 3.433 N/A TYR 473.A N PHE 469.A O no hydrogen 2.734 N/A TYR 473.A OH GLN 447.A OE1 no hydrogen 2.560 N/A PHE 474.A N THR 470.A O no hydrogen 3.362 N/A TYR 475.A N ASN 471.A O no hydrogen 3.172 N/A TYR 475.A OH PRO 537.A O no hydrogen 2.738 N/A THR 476.A N TYR 473.A O no hydrogen 2.743 N/A ILE 477.A N TYR 473.A O no hydrogen 2.980 N/A THR 478.A N PHE 474.A O no hydrogen 2.765 N/A THR 478.A OG1 PHE 474.A O no hydrogen 2.424 N/A TRP 479.A N TYR 475.A O no hydrogen 3.273 N/A ALA 481.A N ILE 477.A O no hydrogen 2.980 N/A VAL 482.A N THR 478.A O no hydrogen 3.003 N/A HIS 483.A N TRP 479.A O no hydrogen 2.949 N/A THR 484.A N HIS 480.A O no hydrogen 2.839 N/A THR 484.A OG1 HIS 480.A O no hydrogen 2.704 N/A SER 485.A N ALA 481.A O no hydrogen 2.696 N/A MET 486.A N VAL 482.A O no hydrogen 2.748 N/A ARG 487.A N HIS 483.A O no hydrogen 2.813 N/A LEU 488.A N THR 484.A O no hydrogen 3.000 N/A ALA 489.A N SER 485.A O no hydrogen 3.231 N/A ARG 490.A N MET 486.A O no hydrogen 3.098 N/A GLU 491.A N ARG 487.A O no hydrogen 2.943 N/A ARG 492.A N LEU 488.A O no hydrogen 2.845 N/A ARG 492.A NH1 ASP 423.A OD2 no hydrogen 2.573 N/A GLY 493.A N ALA 489.A O no hydrogen 2.796 N/A THR 495.A OG1 PHE 496.A O no hydrogen 2.961 N/A PHE 496.A N ILE 554.A O no hydrogen 3.317 N/A ALA 497.A N ALA 439.A O no hydrogen 2.900 N/A SER 502.A N PHE 499.A O no hydrogen 2.579 N/A SER 502.A OG PHE 499.A O no hydrogen 3.230 N/A ARG 503.A N PRO 353.A O no hydrogen 2.793 N/A ALA 505.A N SER 502.A O no hydrogen 3.235 N/A ALA 505.A N SER 502.A OG no hydrogen 2.821 N/A SER 506.A N SER 502.A O no hydrogen 3.173 N/A SER 506.A OG ASP 508.A OD1 no hydrogen 3.317 N/A GLY 507.A N ARG 503.A O no hydrogen 2.639 N/A ASP 508.A N ARG 503.A O no hydrogen 3.004 N/A TYR 509.A N ARG 503.A O no hydrogen 3.345 N/A TYR 513.A OH HIS 632.A ND1 no hydrogen 2.916 N/A LEU 514.A N THR 511.A O no hydrogen 3.393 N/A GLN 515.A N GLN 512.A O no hydrogen 3.269 N/A GLN 515.A NE2 THR 511.A O no hydrogen 3.459 N/A TRP 518.A NE1 GLN 512.A O no hydrogen 3.292 N/A GLN 519.A NE2 TRP 518.A O no hydrogen 2.762 N/A LYS 521.A N ASP 468.A OD1 no hydrogen 3.235 N/A LYS 521.A NZ ASP 517.A OD1 no hydrogen 3.016 N/A LYS 521.A NZ ASP 517.A OD2 no hydrogen 3.487 N/A THR 522.A OG1 ASP 468.A OD2 no hydrogen 3.382 N/A ARG 526.A N THR 522.A O no hydrogen 3.335 N/A ALA 527.A N ALA 523.A O no hydrogen 2.989 N/A LEU 528.A N LYS 524.A O no hydrogen 3.404 N/A LEU 528.A N VAL 525.A O no hydrogen 2.747 N/A PHE 529.A N VAL 525.A O no hydrogen 3.413 N/A ALA 530.A N ARG 526.A O no hydrogen 2.960 N/A ARG 531.A N ALA 527.A O no hydrogen 2.683 N/A SER 532.A N LEU 528.A O no hydrogen 2.654 N/A SER 532.A OG MET 402.A O no hydrogen 2.949 N/A SER 532.A OG LEU 528.A O no hydrogen 2.920 N/A GLY 533.A N ALA 530.A O no hydrogen 3.225 N/A ILE 534.A N PHE 529.A O no hydrogen 3.104 N/A THR 538.A OG1 GLU 540.A OE2 no hydrogen 2.865 N/A MET 541.A N THR 538.A O no hydrogen 2.570 N/A TRP 542.A NE1 TYR 475.A OH no hydrogen 3.110 N/A LEU 543.A N ARG 539.A O no hydrogen 2.797 N/A LYS 544.A N GLU 540.A O no hydrogen 3.300 N/A LYS 544.A NZ ASP 548.A OD2 no hydrogen 3.184 N/A LEU 545.A N MET 541.A O no hydrogen 2.837 N/A ARG 546.A N TRP 542.A O no hydrogen 2.555 N/A ASP 548.A N LEU 545.A O no hydrogen 3.143 N/A VAL 549.A N LEU 545.A O no hydrogen 3.062 N/A MET 550.A N ARG 546.A O no hydrogen 3.063 N/A ARG 551.A N ASP 548.A O no hydrogen 3.205 N/A TYR 552.A N ASP 548.A O no hydrogen 3.122 N/A GLY 553.A N VAL 549.A O no hydrogen 2.649 N/A TYR 555.A N SER 485.A O no hydrogen 3.224 N/A TYR 555.A OH ASP 423.A OD1 no hydrogen 3.037 N/A TYR 555.A OH ASP 423.A OD2 no hydrogen 3.396 N/A ASN 556.A N SER 485.A OG no hydrogen 3.241 N/A ASN 556.A ND2 SER 485.A OG no hydrogen 2.354 N/A GLN 557.A N SER 440.A O no hydrogen 2.939 N/A ASN 558.A ND2 GLN 557.A OE1 no hydrogen 2.561 N/A LEU 559.A N ASP 634.A OD2 no hydrogen 2.713 N/A GLN 560.A N ASP 634.A OD1 no hydrogen 3.192 N/A GLN 560.A NE2 THR 478.A OG1 no hydrogen 3.115 N/A ALA 561.A N LEU 445.A O no hydrogen 3.134 N/A THR 565.A OG1 SER 569.A OG no hydrogen 3.255 N/A THR 565.A OG1 SER 576.A O no hydrogen 3.281 N/A SER 569.A OG THR 565.A O no hydrogen 3.371 N/A SER 569.A OG THR 565.A OG1 no hydrogen 3.255 N/A SER 569.A OG GLY 566.A O no hydrogen 2.900 N/A TYR 570.A N SER 567.A O no hydrogen 2.770 N/A TYR 570.A OH GLU 586.A OE2 no hydrogen 2.613 N/A ILE 571.A N ILE 568.A O no hydrogen 3.281 N/A ASN 572.A N ILE 568.A O no hydrogen 3.117 N/A ASN 572.A ND2 GLY 144.A O no hydrogen 2.900 N/A HIS 573.A ND1 TYR 598.A OH no hydrogen 3.212 N/A ALA 574.A N TYR 598.A OH no hydrogen 3.142 N/A THR 575.A N ASN 449.A OD1 no hydrogen 2.926 N/A THR 575.A OG1 ASN 449.A OD1 no hydrogen 3.346 N/A SER 577.A OG PRO 563.A O no hydrogen 3.435 N/A SER 577.A OG TYR 626.A OH no hydrogen 3.243 N/A HIS 579.A ND1 PRO 580.A O no hydrogen 2.793 N/A ILE 581.A N HIS 451.A ND1 no hydrogen 3.042 N/A LYS 584.A NZ LEU 608.A O no hydrogen 3.465 N/A GLU 586.A N TYR 598.A O no hydrogen 2.804 N/A ARG 588.A N VAL 596.A O no hydrogen 3.036 N/A ARG 588.A NH2 SER 567.A OG no hydrogen 3.197 N/A GLY 594.A N GLY 591.A O no hydrogen 3.246 N/A VAL 596.A N ARG 588.A O no hydrogen 2.753 N/A TYR 598.A N GLU 586.A O no hydrogen 2.936 N/A TYR 598.A OH HIS 573.A ND1 no hydrogen 3.212 N/A TYR 598.A OH ALA 574.A O no hydrogen 3.030 N/A THR 604.A OG1 ASN 607.A OD1 no hydrogen 3.005 N/A ASN 605.A ND2 ILE 21.A O no hydrogen 3.676 N/A GLU 606.A N THR 604.A OG1 no hydrogen 3.382 N/A MET 610.A N ASN 607.A O no hydrogen 2.901 N/A TYR 611.A OH PRO 601.A O no hydrogen 2.334 N/A ALA 614.A N ILE 581.A O no hydrogen 2.726 N/A ASP 616.A N ASP 613.A O no hydrogen 3.207 N/A ILE 617.A N ASP 613.A O no hydrogen 3.217 N/A ILE 617.A N ALA 614.A O no hydrogen 2.820 N/A GLY 618.A N ALA 614.A O no hydrogen 3.300 N/A ILE 623.A N PRO 619.A O no hydrogen 3.373 N/A ASP 624.A N GLU 620.A O no hydrogen 2.875 N/A THR 625.A N LYS 621.A O no hydrogen 3.120 N/A THR 625.A OG1 TYR 461.A OH no hydrogen 3.418 N/A THR 625.A OG1 LYS 621.A O no hydrogen 3.014 N/A TYR 626.A N ILE 622.A O no hydrogen 2.932 N/A TYR 626.A OH SER 638.A O no hydrogen 3.070 N/A ALA 627.A N ILE 623.A O no hydrogen 2.523 N/A ALA 629.A N THR 625.A O no hydrogen 3.359 N/A THR 630.A N TYR 626.A O no hydrogen 2.671 N/A ARG 631.A N ALA 627.A O no hydrogen 2.921 N/A HIS 632.A N ALA 629.A O no hydrogen 2.728 N/A HIS 632.A ND1 TYR 513.A OH no hydrogen 2.916 N/A HIS 632.A NE2 ASN 471.A OD1 no hydrogen 2.919 N/A VAL 633.A N ALA 629.A O no hydrogen 3.024 N/A GLN 635.A N ASP 634.A OD1 no hydrogen 2.891 N/A GLN 635.A NE2 GLN 560.A O no hydrogen 3.398 N/A GLY 636.A N GLU 366.A O no hydrogen 3.135 N/A SER 638.A N VAL 562.A O no hydrogen 3.208 N/A SER 638.A OG VAL 562.A O no hydrogen 2.532 N/A PHE 643.A N ARG 671.A O no hydrogen 2.978 N/A ALA 647.A N PRO 644.A O no hydrogen 2.757 N/A THR 648.A N ASP 651.A OD2 no hydrogen 2.786 N/A THR 648.A OG1 ASP 651.A OD2 no hydrogen 3.116 N/A ASN 653.A N THR 649.A O no hydrogen 2.921 N/A LYS 654.A N ARG 650.A O no hydrogen 2.551 N/A ALA 655.A N ASP 651.A O no hydrogen 2.813 N/A GLN 656.A N ILE 652.A O no hydrogen 2.818 N/A GLN 656.A NE2 GLN 334.A OE1 no hydrogen 3.215 N/A ILE 657.A N ASN 653.A O no hydrogen 2.913 N/A TYR 658.A N LYS 654.A O no hydrogen 3.234 N/A TYR 658.A OH ASP 624.A OD2 no hydrogen 2.880 N/A ALA 659.A N ALA 655.A O no hydrogen 3.043 N/A TRP 660.A N GLN 656.A O no hydrogen 2.622 N/A ARG 661.A N ILE 657.A O no hydrogen 2.730 N/A LYS 662.A N TYR 658.A O no hydrogen 2.553 N/A LYS 662.A NZ ASP 624.A OD2 no hydrogen 2.785 N/A GLY 663.A N ALA 659.A O no hydrogen 3.083 N/A GLY 663.A N TRP 660.A O no hydrogen 2.817 N/A ILE 664.A N ALA 659.A O no hydrogen 2.979 N/A LYS 665.A NZ VAL 633.A O no hydrogen 2.916 N/A LYS 665.A NZ ASP 634.A O no hydrogen 3.389 N/A SER 666.A OG SER 365.A O no hydrogen 2.829 N/A SER 666.A OG LEU 637.A O no hydrogen 2.979 N/A LEU 667.A N ILE 342.A O no hydrogen 2.597 N/A TYR 668.A N LEU 639.A O no hydrogen 2.731 N/A ARG 671.A N LEU 641.A O no hydrogen 2.941 N/A ARG 673.A N PHE 643.A O no hydrogen 3.254 N/A ARG 673.A NH1 ARG 673.A O no hydrogen 2.813 N/A GLN 674.A NE2 GLN 674.A O no hydrogen 3.623 N/A