Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qpd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 8.A OE1 no hydrogen 3.437 N/A SER 1.A N GLU 8.A OE2 no hydrogen 3.498 N/A GLU 8.A N VAL 6.A O no hydrogen 2.146 N/A ALA 9.A N VAL 6.A O no hydrogen 2.996 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.941 N/A LYS 13.A NZ ALA 497.A O no hydrogen 3.023 N/A LYS 14.A N PRO 11.A O no hydrogen 2.695 N/A THR 16.A OG1 GLU 12.A O no hydrogen 2.637 N/A LEU 17.A N LYS 13.A O no hydrogen 2.894 N/A TYR 18.A N ALA 15.A O no hydrogen 2.688 N/A PHE 19.A N ALA 15.A O no hydrogen 2.747 N/A LEU 20.A N THR 16.A O no hydrogen 3.182 N/A VAL 21.A N LEU 17.A O no hydrogen 3.192 N/A LEU 22.A N TYR 18.A O no hydrogen 3.204 N/A GLY 23.A N PHE 19.A O no hydrogen 3.259 N/A PHE 24.A N LEU 20.A O no hydrogen 2.922 N/A LEU 25.A N VAL 21.A O no hydrogen 2.716 N/A ALA 26.A N LEU 22.A O no hydrogen 2.715 N/A LEU 27.A N GLY 23.A O no hydrogen 3.039 N/A ILE 28.A N PHE 24.A O no hydrogen 2.833 N/A ILE 28.A N LEU 25.A O no hydrogen 2.180 N/A VAL 29.A N LEU 25.A O no hydrogen 3.116 N/A GLY 30.A N ALA 26.A O no hydrogen 3.024 N/A SER 31.A N LEU 27.A O no hydrogen 3.302 N/A SER 31.A OG LEU 27.A O no hydrogen 2.764 N/A SER 31.A OG ILE 28.A O no hydrogen 2.996 N/A LEU 32.A N ILE 28.A O no hydrogen 3.059 N/A LEU 32.A N VAL 29.A O no hydrogen 2.602 N/A GLN 37.A N PHE 33.A O no hydrogen 3.089 N/A ALA 38.A N GLY 34.A O no hydrogen 2.883 N/A ALA 38.A N PRO 35.A O no hydrogen 3.203 N/A LEU 39.A N PHE 36.A O no hydrogen 2.377 N/A ASN 40.A N PHE 36.A O no hydrogen 2.876 N/A ASN 40.A ND2 ALA 446.A O no hydrogen 3.353 N/A TYR 41.A N GLN 37.A O no hydrogen 3.222 N/A TYR 41.A OH PRO 443.A O no hydrogen 3.405 N/A ASN 43.A N LEU 39.A O no hydrogen 2.006 N/A ASN 43.A ND2 ALA 449.A O no hydrogen 3.360 N/A VAL 44.A N LEU 39.A O no hydrogen 2.551 N/A ALA 46.A N VAL 44.A O no hydrogen 2.905 N/A TYR 47.A OH GLN 37.A OE1 no hydrogen 2.989 N/A LEU 50.A N ALA 46.A O no hydrogen 3.325 N/A LYS 51.A N TYR 47.A O no hydrogen 2.365 N/A ARG 52.A N PRO 48.A O no hydrogen 2.933 N/A LEU 53.A N LEU 49.A O no hydrogen 3.058 N/A LEU 54.A N LEU 50.A O no hydrogen 3.269 N/A GLN 58.A N GLN 62.A OE1 no hydrogen 2.536 N/A GLN 62.A NE2 LEU 119.A O no hydrogen 2.389 N/A GLY 63.A N SER 59.A O no hydrogen 3.081 N/A LEU 64.A N TYR 60.A O no hydrogen 3.066 N/A THR 65.A N TYR 61.A O no hydrogen 2.477 N/A THR 65.A OG1 TYR 61.A O no hydrogen 2.403 N/A LEU 66.A N GLN 62.A O no hydrogen 3.021 N/A HIS 67.A N GLY 63.A O no hydrogen 2.597 N/A HIS 67.A ND1 GLY 30.A O no hydrogen 2.746 N/A GLY 68.A N LEU 64.A O no hydrogen 2.939 N/A VAL 69.A N THR 65.A O no hydrogen 2.751 N/A LEU 70.A N LEU 66.A O no hydrogen 2.724 N/A ASN 71.A ND2 ALA 26.A O no hydrogen 3.368 N/A ALA 72.A N GLY 68.A O no hydrogen 3.232 N/A VAL 74.A N VAL 69.A O no hydrogen 2.992 N/A PHE 75.A N LEU 70.A O no hydrogen 2.857 N/A THR 76.A OG1 ALA 72.A O no hydrogen 3.049 N/A THR 76.A OG1 ILE 73.A O no hydrogen 3.308 N/A GLN 77.A N VAL 74.A O no hydrogen 2.830 N/A LEU 78.A N VAL 74.A O no hydrogen 3.016 N/A PHE 79.A N PHE 75.A O no hydrogen 3.387 N/A GLN 81.A N GLN 77.A O no hydrogen 3.350 N/A GLN 81.A NE2 SER 150.A O no hydrogen 2.949 N/A GLN 81.A NE2 SER 150.A OG no hydrogen 2.997 N/A ALA 82.A N PHE 79.A O no hydrogen 3.071 N/A ILE 83.A N PHE 79.A O no hydrogen 2.793 N/A TYR 86.A N ALA 82.A O no hydrogen 2.938 N/A TYR 86.A OH ASN 402.A OD1 no hydrogen 2.222 N/A LEU 87.A N ILE 83.A O no hydrogen 3.218 N/A GLU 91.A N LEU 87.A O no hydrogen 3.040 N/A LEU 92.A N ALA 89.A O no hydrogen 2.304 N/A ASN 93.A N ARG 90.A O no hydrogen 2.745 N/A ARG 95.A NE GLU 12.A OE1 no hydrogen 3.146 N/A LEU 100.A N ASN 97.A OD1 no hydrogen 2.952 N/A TRP 102.A N MET 98.A O no hydrogen 3.258 N/A LEU 103.A N GLY 99.A O no hydrogen 2.982 N/A SER 104.A N LEU 100.A O no hydrogen 2.615 N/A SER 104.A OG SER 150.A O no hydrogen 3.262 N/A SER 104.A OG SER 154.A OG no hydrogen 2.945 N/A TRP 105.A N MET 101.A O no hydrogen 2.777 N/A TRP 106.A N TRP 102.A O no hydrogen 2.627 N/A MET 107.A N LEU 103.A O no hydrogen 2.602 N/A ALA 108.A N SER 104.A O no hydrogen 3.295 N/A ALA 108.A N TRP 105.A O no hydrogen 2.750 N/A PHE 109.A N TRP 105.A O no hydrogen 3.255 N/A ILE 110.A N TRP 106.A O no hydrogen 2.767 N/A GLY 111.A N MET 107.A O no hydrogen 2.891 N/A LEU 112.A N ALA 108.A O no hydrogen 2.340 N/A VAL 113.A N PHE 109.A O no hydrogen 2.880 N/A VAL 114.A N ILE 110.A O no hydrogen 2.452 N/A ALA 115.A N GLY 111.A O no hydrogen 2.700 N/A ALA 116.A N LEU 112.A O no hydrogen 2.578 N/A LEU 117.A N VAL 113.A O no hydrogen 3.285 N/A LEU 119.A N ALA 116.A O no hydrogen 3.072 N/A LEU 120.A N ALA 116.A O no hydrogen 3.319 N/A ALA 121.A N LEU 117.A O no hydrogen 3.401 N/A ASN 122.A N LEU 119.A O no hydrogen 3.022 N/A GLU 123.A N PRO 118.A O no hydrogen 3.046 N/A THR 125.A OG1 ASN 122.A OD1 no hydrogen 2.659 N/A VAL 126.A N ALA 124.A O no hydrogen 2.589 N/A PHE 130.A N LEU 127.A O no hydrogen 2.568 N/A LEU 134.A N TYR 131.A O no hydrogen 2.690 N/A LYS 135.A N TRP 554.A O no hydrogen 2.815 N/A GLY 136.A N TYR 141.A OH no hydrogen 2.954 N/A HIS 137.A N GLU 123.A O no hydrogen 2.969 N/A ALA 139.A N HIS 137.A ND1 no hydrogen 2.665 N/A LEU 142.A N TRP 138.A O no hydrogen 2.855 N/A GLY 143.A N ALA 139.A O no hydrogen 3.177 N/A ALA 144.A N PHE 140.A O no hydrogen 3.392 N/A SER 145.A N TYR 141.A O no hydrogen 2.813 N/A SER 145.A N LEU 142.A O no hydrogen 2.974 N/A SER 145.A OG TYR 141.A O no hydrogen 3.073 N/A VAL 146.A N LEU 142.A O no hydrogen 3.176 N/A VAL 148.A N ALA 144.A O no hydrogen 3.320 N/A LEU 149.A N SER 145.A O no hydrogen 2.949 N/A SER 150.A N VAL 146.A O no hydrogen 2.963 N/A SER 150.A OG SER 104.A O no hydrogen 3.201 N/A SER 150.A OG PHE 147.A O no hydrogen 2.902 N/A THR 151.A N VAL 148.A O no hydrogen 2.713 N/A THR 151.A OG1 VAL 148.A O no hydrogen 2.746 N/A TRP 152.A NE1 SER 192.A OG no hydrogen 3.010 N/A VAL 153.A N LEU 149.A O no hydrogen 3.253 N/A SER 154.A OG SER 104.A OG no hydrogen 2.945 N/A ILE 155.A N THR 151.A O no hydrogen 2.738 N/A TYR 156.A N VAL 153.A O no hydrogen 2.761 N/A ILE 157.A N VAL 153.A O no hydrogen 3.284 N/A ASP 160.A N TYR 156.A O no hydrogen 2.333 N/A LEU 161.A N ILE 157.A O no hydrogen 3.287 N/A TRP 162.A N VAL 158.A O no hydrogen 3.003 N/A TRP 162.A NE1 THR 174.A OG1 no hydrogen 2.980 N/A ARG 163.A N LEU 159.A O no hydrogen 2.980 N/A ARG 164.A N ASP 160.A O no hydrogen 3.098 N/A ARG 164.A NH1 ARG 95.A O no hydrogen 3.117 N/A ARG 164.A NH2 ARG 95.A O no hydrogen 2.903 N/A ARG 164.A NH2 ASP 160.A OD1 no hydrogen 2.990 N/A TRP 165.A N LEU 161.A O no hydrogen 3.321 N/A LYS 166.A N TRP 162.A O no hydrogen 2.806 N/A LYS 166.A NZ LYS 172.A O no hydrogen 2.250 N/A ALA 167.A N ARG 163.A O no hydrogen 3.261 N/A ALA 168.A N ARG 164.A O no hydrogen 3.342 N/A ASN 169.A ND2 TRP 165.A O no hydrogen 3.673 N/A THR 174.A N ASP 520.A OD1 no hydrogen 3.149 N/A THR 174.A OG1 ASP 520.A OD1 no hydrogen 3.350 N/A VAL 177.A N GLU 91.A OE1 no hydrogen 3.370 N/A THR 178.A N PRO 175.A O no hydrogen 2.938 N/A THR 178.A OG1 PRO 88.A O no hydrogen 3.158 N/A THR 178.A OG1 GLU 91.A OE2 no hydrogen 2.462 N/A TYR 179.A N PRO 175.A O no hydrogen 3.227 N/A TYR 179.A OH MET 519.A O no hydrogen 3.143 N/A ALA 181.A N VAL 177.A O no hydrogen 3.295 N/A PHE 184.A N MET 180.A O no hydrogen 3.165 N/A TRP 185.A N ALA 181.A O no hydrogen 2.771 N/A TRP 185.A NE1 MET 84.A O no hydrogen 3.048 N/A LEU 186.A N VAL 182.A O no hydrogen 2.838 N/A MET 187.A N VAL 183.A O no hydrogen 2.544 N/A TRP 188.A N PHE 184.A O no hydrogen 2.858 N/A TRP 188.A NE1 THR 151.A OG1 no hydrogen 3.346 N/A PHE 189.A N TRP 185.A O no hydrogen 3.088 N/A PHE 189.A N LEU 186.A O no hydrogen 2.715 N/A LEU 190.A N LEU 186.A O no hydrogen 3.401 N/A ALA 191.A N MET 187.A O no hydrogen 3.359 N/A SER 192.A N TRP 188.A O no hydrogen 2.815 N/A SER 192.A OG TRP 188.A O no hydrogen 2.702 N/A SER 192.A OG PHE 189.A O no hydrogen 2.411 N/A LEU 193.A N LEU 190.A O no hydrogen 3.385 N/A GLY 194.A N ALA 191.A O no hydrogen 2.837 N/A LEU 195.A N THR 226.A OG1 no hydrogen 2.772 N/A VAL 196.A N SER 192.A O no hydrogen 3.326 N/A LEU 197.A N LEU 193.A O no hydrogen 2.652 N/A GLU 198.A N GLY 194.A O no hydrogen 3.239 N/A ALA 199.A N LEU 195.A O no hydrogen 2.976 N/A VAL 200.A N VAL 196.A O no hydrogen 2.917 N/A LEU 201.A N LEU 197.A O no hydrogen 2.720 N/A PHE 202.A N GLU 198.A O no hydrogen 2.855 N/A LEU 203.A N GLU 198.A O no hydrogen 2.502 N/A LEU 204.A N ALA 199.A O no hydrogen 2.704 N/A TRP 206.A N PHE 202.A O no hydrogen 3.252 N/A SER 207.A N LEU 203.A O no hydrogen 3.344 N/A SER 207.A OG LEU 203.A O no hydrogen 3.307 N/A LEU 210.A N PRO 205.A O no hydrogen 2.877 N/A LEU 217.A N ASP 215.A OD1 no hydrogen 3.212 N/A ALA 219.A N ASP 215.A O no hydrogen 3.081 N/A ARG 220.A N LEU 217.A O no hydrogen 3.091 N/A ARG 220.A NH2 ASP 282.A OD1 no hydrogen 2.724 N/A THR 221.A N LEU 217.A O no hydrogen 3.065 N/A THR 221.A OG1 LEU 217.A O no hydrogen 3.070 N/A LEU 222.A N VAL 218.A O no hydrogen 3.107 N/A PHE 223.A N ALA 219.A O no hydrogen 2.847 N/A TRP 224.A N ARG 220.A O no hydrogen 3.256 N/A TRP 224.A NE1 TYR 131.A OH no hydrogen 2.833 N/A TRP 225.A N THR 221.A O no hydrogen 2.909 N/A TRP 225.A NE1 LEU 190.A O no hydrogen 2.869 N/A THR 226.A OG1 ALA 191.A O no hydrogen 3.127 N/A GLY 227.A N PHE 223.A O no hydrogen 3.299 N/A HIS 228.A ND1 HIS 277.A NE2 no hydrogen 2.537 N/A HIS 228.A ND1 HIS 278.A NE2 no hydrogen 3.097 N/A ILE 230.A N THR 226.A O no hydrogen 3.037 N/A VAL 231.A N HIS 228.A O no hydrogen 2.788 N/A PHE 233.A N PRO 229.A O no hydrogen 2.528 N/A TRP 234.A N ILE 230.A O no hydrogen 2.890 N/A LEU 235.A N VAL 231.A O no hydrogen 2.828 N/A LEU 236.A N TYR 232.A O no hydrogen 3.207 N/A ALA 238.A N LEU 235.A O no hydrogen 2.935 N/A TYR 239.A N LEU 235.A O no hydrogen 3.000 N/A ALA 240.A N LEU 236.A O no hydrogen 2.908 N/A ILE 241.A N PRO 237.A O no hydrogen 3.434 N/A ILE 242.A N ALA 238.A O no hydrogen 2.866 N/A TYR 243.A N TYR 239.A O no hydrogen 2.902 N/A TYR 243.A OH THR 307.A OG1 no hydrogen 2.678 N/A TYR 243.A OH THR 310.A OG1 no hydrogen 3.372 N/A THR 244.A N ALA 240.A O no hydrogen 3.006 N/A THR 244.A OG1 ALA 240.A O no hydrogen 3.252 N/A ILE 245.A N ILE 241.A O no hydrogen 2.866 N/A LEU 246.A N ILE 241.A O no hydrogen 3.205 N/A LYS 248.A N ILE 245.A O no hydrogen 2.577 N/A GLN 249.A N ILE 245.A O no hydrogen 3.340 N/A ALA 250.A N LEU 246.A O no hydrogen 2.482 N/A GLY 251.A N PRO 247.A O no hydrogen 2.663 N/A GLY 252.A N PRO 247.A O no hydrogen 2.566 N/A MET 259.A N SER 256.A OG no hydrogen 3.352 N/A ALA 260.A N ASP 257.A O no hydrogen 2.954 N/A ARG 261.A N ASP 257.A O no hydrogen 3.235 N/A ARG 261.A NH2 THR 174.A O no hydrogen 2.532 N/A LEU 262.A N PRO 258.A O no hydrogen 2.398 N/A ALA 263.A N MET 259.A O no hydrogen 3.111 N/A PHE 264.A N ALA 260.A O no hydrogen 3.420 N/A LEU 265.A N ARG 261.A O no hydrogen 2.675 N/A LEU 266.A N LEU 262.A O no hydrogen 3.038 N/A PHE 267.A N PHE 264.A O no hydrogen 3.063 N/A LEU 269.A N LEU 265.A O no hydrogen 3.116 N/A LEU 270.A N LEU 266.A O no hydrogen 2.900 N/A LEU 270.A N PHE 267.A O no hydrogen 2.644 N/A SER 271.A OG PHE 267.A O no hydrogen 3.453 N/A PHE 276.A N VAL 274.A O no hydrogen 2.597 N/A HIS 277.A N VAL 274.A O no hydrogen 2.954 N/A HIS 277.A ND1 THR 297.A OG1 no hydrogen 2.985 N/A HIS 278.A NE2 HIS 228.A ND1 no hydrogen 3.097 N/A GLN 279.A NE2 ASP 282.A OD1 no hydrogen 3.235 N/A PHE 280.A N HIS 277.A O no hydrogen 3.273 N/A ASP 282.A N GLN 279.A O no hydrogen 3.377 N/A THR 288.A N ASP 286.A OD2 no hydrogen 2.793 N/A THR 288.A OG1 ASP 286.A OD2 no hydrogen 2.696 N/A TRP 289.A N ASP 286.A O no hydrogen 2.865 N/A LYS 290.A NZ GLN 279.A O no hydrogen 2.898 N/A LYS 290.A NZ ASP 282.A O no hydrogen 2.969 N/A MET 291.A N PRO 287.A O no hydrogen 2.829 N/A ILE 292.A N THR 288.A O no hydrogen 3.020 N/A HIS 293.A N TRP 289.A O no hydrogen 3.098 N/A SER 294.A N LYS 290.A O no hydrogen 2.761 N/A SER 294.A N MET 291.A O no hydrogen 3.144 N/A SER 294.A OG ALA 362.A O no hydrogen 2.398 N/A VAL 295.A N MET 291.A O no hydrogen 3.275 N/A LEU 296.A N ILE 292.A O no hydrogen 2.635 N/A THR 297.A OG1 HIS 277.A ND1 no hydrogen 2.985 N/A THR 297.A OG1 HIS 293.A O no hydrogen 2.489 N/A LEU 298.A N SER 294.A O no hydrogen 2.940 N/A PHE 299.A N VAL 295.A O no hydrogen 2.797 N/A VAL 300.A N LEU 296.A O no hydrogen 3.066 N/A VAL 300.A N THR 297.A O no hydrogen 2.416 N/A ALA 301.A N LEU 298.A O no hydrogen 2.797 N/A VAL 302.A N PHE 299.A O no hydrogen 3.088 N/A LEU 305.A N ALA 301.A O no hydrogen 2.887 N/A MET 306.A N VAL 302.A O no hydrogen 2.850 N/A THR 307.A N PRO 303.A O no hydrogen 2.500 N/A THR 307.A OG1 TYR 243.A OH no hydrogen 2.678 N/A THR 307.A OG1 PRO 303.A O no hydrogen 3.144 N/A ALA 308.A N SER 304.A O no hydrogen 3.053 N/A ALA 308.A N LEU 305.A O no hydrogen 2.790 N/A THR 310.A OG1 TYR 243.A OH no hydrogen 3.372 N/A THR 310.A OG1 MET 306.A O no hydrogen 2.964 N/A THR 310.A OG1 THR 307.A O no hydrogen 3.374 N/A VAL 311.A N THR 307.A O no hydrogen 2.768 N/A ALA 312.A N ALA 308.A O no hydrogen 3.378 N/A ALA 313.A N PHE 309.A O no hydrogen 2.669 N/A SER 314.A N THR 310.A O no hydrogen 2.859 N/A SER 314.A OG THR 310.A O no hydrogen 2.603 N/A LEU 315.A N VAL 311.A O no hydrogen 3.076 N/A PHE 317.A N ALA 313.A O no hydrogen 3.005 N/A ALA 318.A N SER 314.A O no hydrogen 3.162 N/A GLY 319.A N LEU 315.A O no hydrogen 3.359 N/A ARG 320.A N GLU 316.A O no hydrogen 2.985 N/A ARG 320.A NH1 GLY 326.A O no hydrogen 2.484 N/A LEU 321.A N PHE 317.A O no hydrogen 2.781 N/A ARG 322.A N ALA 318.A O no hydrogen 2.925 N/A GLY 323.A N ARG 320.A O no hydrogen 3.008 N/A GLY 324.A N GLY 319.A O no hydrogen 2.404 N/A ARG 325.A NE GLY 323.A O no hydrogen 3.122 N/A GLY 329.A N GLY 326.A O no hydrogen 3.010 N/A TRP 330.A NE1 LEU 327.A O no hydrogen 2.899 N/A ILE 331.A N PHE 328.A O no hydrogen 2.861 N/A ARG 332.A N GLY 329.A O no hydrogen 3.034 N/A LEU 334.A N ILE 331.A O no hydrogen 2.947 N/A TRP 336.A N LEU 334.A O no hydrogen 2.701 N/A TRP 336.A NE1 ILE 331.A O no hydrogen 2.924 N/A ASN 338.A N PRO 335.A O no hydrogen 2.486 N/A PHE 341.A N ASN 338.A O no hydrogen 3.018 N/A VAL 342.A N ASN 338.A O no hydrogen 2.711 N/A ALA 343.A N PRO 339.A O no hydrogen 3.159 N/A VAL 345.A N VAL 342.A O no hydrogen 2.754 N/A LEU 346.A N VAL 342.A O no hydrogen 3.127 N/A GLY 347.A N ALA 343.A O no hydrogen 2.871 N/A LEU 348.A N PRO 344.A O no hydrogen 2.703 N/A LEU 349.A N VAL 345.A O no hydrogen 2.994 N/A GLY 350.A N LEU 346.A O no hydrogen 3.040 N/A PHE 351.A N GLY 347.A O no hydrogen 2.936 N/A ILE 352.A N LEU 348.A O no hydrogen 3.071 N/A GLY 355.A N PHE 351.A O no hydrogen 2.824 N/A ALA 356.A N ILE 352.A O no hydrogen 3.279 N/A GLY 357.A N PRO 353.A O no hydrogen 3.097 N/A GLY 357.A N GLY 354.A O no hydrogen 3.183 N/A GLY 358.A N GLY 354.A O no hydrogen 2.970 N/A ILE 359.A N GLY 355.A O no hydrogen 3.090 N/A ASN 361.A N GLY 357.A O no hydrogen 2.879 N/A ALA 362.A N ILE 359.A O no hydrogen 2.398 N/A SER 363.A N ILE 359.A O no hydrogen 2.909 N/A SER 363.A N VAL 360.A O no hydrogen 2.489 N/A SER 363.A OG ILE 359.A O no hydrogen 2.784 N/A SER 363.A OG VAL 360.A O no hydrogen 3.129 N/A THR 365.A OG1 SER 363.A O no hydrogen 3.514 N/A LEU 366.A N SER 363.A O no hydrogen 2.927 N/A ASP 367.A N PHE 364.A O no hydrogen 2.794 N/A TYR 368.A N THR 365.A O no hydrogen 2.910 N/A TYR 368.A OH PHE 280.A O no hydrogen 2.836 N/A VAL 369.A N LEU 366.A O no hydrogen 3.052 N/A VAL 370.A N ASP 367.A O no hydrogen 2.795 N/A HIS 371.A N ASP 367.A O no hydrogen 2.695 N/A THR 373.A N VAL 370.A O no hydrogen 2.682 N/A THR 373.A OG1 VAL 370.A O no hydrogen 3.128 N/A ALA 374.A N VAL 442.A O no hydrogen 2.804 N/A TRP 375.A N THR 373.A OG1 no hydrogen 3.018 N/A VAL 376.A N THR 373.A O no hydrogen 2.910 N/A GLY 378.A N ALA 374.A O no hydrogen 2.995 N/A HIS 379.A N TRP 375.A O no hydrogen 3.057 N/A HIS 379.A ND1 GLY 354.A O no hydrogen 2.952 N/A PHE 380.A N VAL 376.A O no hydrogen 3.026 N/A HIS 381.A N PRO 377.A O no hydrogen 3.080 N/A LEU 382.A N GLY 378.A O no hydrogen 3.062 N/A GLN 383.A N PHE 380.A O no hydrogen 2.692 N/A ALA 385.A N PHE 380.A O no hydrogen 3.124 N/A SER 386.A N HIS 381.A O no hydrogen 2.676 N/A SER 386.A OG GLY 347.A O no hydrogen 3.486 N/A SER 386.A OG LEU 382.A O no hydrogen 2.502 N/A VAL 388.A N GLN 383.A O no hydrogen 3.395 N/A THR 389.A N VAL 384.A O no hydrogen 3.466 N/A LEU 390.A N SER 386.A O no hydrogen 2.523 N/A THR 391.A N LEU 387.A O no hydrogen 2.606 N/A THR 391.A OG1 LEU 387.A O no hydrogen 2.729 N/A ALA 392.A N VAL 388.A O no hydrogen 2.578 N/A MET 393.A N THR 389.A O no hydrogen 2.936 N/A GLY 394.A N LEU 390.A O no hydrogen 2.835 N/A SER 395.A N ALA 392.A O no hydrogen 2.824 N/A SER 395.A OG THR 391.A O no hydrogen 3.124 N/A LEU 396.A N ALA 392.A O no hydrogen 3.288 N/A LEU 396.A N MET 393.A O no hydrogen 3.217 N/A TYR 397.A N GLY 394.A O no hydrogen 2.954 N/A TYR 397.A OH GLN 412.A O no hydrogen 3.014 N/A LEU 399.A N SER 395.A O no hydrogen 3.055 N/A LEU 400.A N LEU 396.A O no hydrogen 2.990 N/A ASN 402.A N TRP 398.A O no hydrogen 3.085 N/A LEU 403.A N LEU 399.A O no hydrogen 3.151 N/A THR 404.A N LEU 400.A O no hydrogen 2.497 N/A THR 404.A OG1 LYS 406.A O no hydrogen 3.337 N/A LYS 406.A NZ LEU 487.A O no hydrogen 3.403 N/A SER 409.A OG GLN 412.A OE1 no hydrogen 2.606 N/A GLN 412.A N SER 409.A O no hydrogen 3.043 N/A GLN 412.A N GLN 412.A OE1 no hydrogen 2.694 N/A ARG 413.A N SER 409.A O no hydrogen 2.869 N/A ARG 414.A N ASP 410.A O no hydrogen 2.998 N/A LEU 415.A N ALA 411.A O no hydrogen 3.296 N/A GLY 416.A N GLN 412.A O no hydrogen 2.473 N/A LEU 417.A N ARG 413.A O no hydrogen 3.287 N/A ALA 418.A N ARG 414.A O no hydrogen 3.311 N/A VAL 419.A N LEU 415.A O no hydrogen 2.779 N/A VAL 420.A N GLY 416.A O no hydrogen 2.826 N/A TRP 421.A N LEU 417.A O no hydrogen 3.153 N/A LEU 422.A N VAL 419.A O no hydrogen 3.013 N/A PHE 424.A N VAL 420.A O no hydrogen 2.955 N/A LEU 425.A N TRP 421.A O no hydrogen 3.151 N/A MET 427.A N TRP 423.A O no hydrogen 3.154 N/A MET 428.A N PHE 424.A O no hydrogen 3.370 N/A ILE 429.A N LEU 425.A O no hydrogen 2.532 N/A MET 430.A N GLY 426.A O no hydrogen 2.603 N/A ALA 431.A N MET 427.A O no hydrogen 2.269 N/A VAL 432.A N MET 428.A O no hydrogen 2.711 N/A GLY 433.A N ILE 429.A O no hydrogen 3.308 N/A LEU 434.A N MET 430.A O no hydrogen 2.741 N/A LEU 434.A N ALA 431.A O no hydrogen 2.786 N/A HIS 435.A N ALA 431.A O no hydrogen 2.977 N/A HIS 435.A ND1 ALA 431.A O no hydrogen 2.664 N/A TRP 436.A N VAL 432.A O no hydrogen 2.818 N/A ALA 437.A N GLY 433.A O no hydrogen 3.282 N/A GLY 438.A N LEU 434.A O no hydrogen 2.532 N/A LEU 439.A N HIS 435.A O no hydrogen 2.785 N/A LEU 440.A N TRP 436.A O no hydrogen 3.005 N/A ASN 441.A N GLY 438.A O no hydrogen 2.694 N/A VAL 442.A N ALA 437.A O no hydrogen 3.228 N/A ARG 444.A N ASN 372.A O no hydrogen 3.179 N/A ARG 445.A NH1 THR 129.A OG1 no hydrogen 2.464 N/A ALA 446.A N TYR 41.A OH no hydrogen 2.737 N/A TYR 447.A N TYR 61.A OH no hydrogen 2.760 N/A TYR 447.A OH ASP 45.A OD2 no hydrogen 2.520 N/A ILE 448.A N ALA 446.A O no hydrogen 2.345 N/A ALA 449.A N ASN 40.A OD1 no hydrogen 2.867 N/A GLN 450.A N TYR 447.A O no hydrogen 2.628 N/A VAL 451.A N ILE 448.A O no hydrogen 2.891 N/A ALA 458.A N TYR 455.A O no hydrogen 3.047 N/A MET 462.A N ALA 458.A O no hydrogen 3.036 N/A VAL 463.A N VAL 460.A O no hydrogen 2.584 N/A PHE 464.A N VAL 460.A O no hydrogen 3.235 N/A ASN 465.A N PRO 461.A O no hydrogen 2.644 N/A ASN 465.A ND2 TYR 41.A O no hydrogen 3.015 N/A VAL 466.A N MET 462.A O no hydrogen 3.034 N/A LEU 467.A N VAL 463.A O no hydrogen 2.770 N/A ALA 468.A N PHE 464.A O no hydrogen 3.090 N/A GLY 469.A N ASN 465.A O no hydrogen 3.064 N/A ILE 470.A N VAL 466.A O no hydrogen 3.268 N/A VAL 471.A N LEU 467.A O no hydrogen 2.710 N/A LEU 472.A N ALA 468.A O no hydrogen 2.559 N/A LEU 473.A N GLY 469.A O no hydrogen 2.989 N/A VAL 474.A N ILE 470.A O no hydrogen 3.296 N/A ALA 475.A N VAL 471.A O no hydrogen 2.730 N/A LEU 476.A N LEU 472.A O no hydrogen 2.594 N/A LEU 477.A N LEU 473.A O no hydrogen 2.964 N/A PHE 479.A N ALA 475.A O no hydrogen 3.386 N/A PHE 479.A N LEU 476.A O no hydrogen 2.878 N/A ILE 480.A N LEU 476.A O no hydrogen 3.308 N/A ILE 480.A N LEU 477.A O no hydrogen 2.231 N/A LEU 483.A N PHE 479.A O no hydrogen 2.644 N/A PHE 484.A N ILE 480.A O no hydrogen 2.599 N/A VAL 486.A N GLY 482.A O no hydrogen 2.564 N/A LEU 488.A N PHE 484.A O no hydrogen 2.793 N/A SER 489.A OG SER 485.A O no hydrogen 3.497 N/A GLU 495.A N LYS 493.A O no hydrogen 2.582 N/A ALA 499.A N LEU 496.A O no hydrogen 3.450 N/A PHE 503.A N LEU 501.A O no hydrogen 2.422 N/A ALA 504.A N THR 244.A O no hydrogen 2.744 N/A ILE 507.A N LEU 254.A O no hydrogen 3.110 N/A GLY 509.A N ASP 512.A OD1 no hydrogen 2.976 N/A ARG 513.A N GLU 511.A O no hydrogen 2.406 N/A LEU 515.A N GLU 511.A O no hydrogen 3.346 N/A LEU 517.A N ARG 513.A O no hydrogen 3.320 N/A ARG 521.A N ALA 518.A O no hydrogen 3.237 N/A ILE 522.A N ASP 520.A O no hydrogen 2.677 N/A TRP 525.A NE1 ALA 518.A O no hydrogen 3.102 N/A PHE 526.A N ILE 522.A O no hydrogen 3.133 N/A ALA 527.A N PHE 524.A O no hydrogen 2.722 N/A VAL 528.A N PHE 524.A O no hydrogen 3.160 N/A ALA 529.A N TRP 525.A O no hydrogen 2.558 N/A ALA 530.A N PHE 526.A O no hydrogen 3.420 N/A ILE 531.A N ALA 527.A O no hydrogen 2.384 N/A LEU 532.A N VAL 528.A O no hydrogen 2.862 N/A VAL 533.A N ALA 529.A O no hydrogen 3.401 N/A VAL 534.A N ALA 530.A O no hydrogen 3.231 N/A LEU 535.A N LEU 532.A O no hydrogen 2.851 N/A ALA 536.A N LEU 532.A O no hydrogen 2.775 N/A TYR 537.A N VAL 533.A O no hydrogen 2.844 N/A TYR 537.A OH TRP 224.A O no hydrogen 3.382 N/A VAL 542.A N GLY 538.A O no hydrogen 3.274 N/A LEU 544.A N THR 540.A O no hydrogen 3.406 N/A PHE 545.A N LEU 541.A O no hydrogen 3.329 N/A PHE 545.A N VAL 542.A O no hydrogen 2.772 N/A GLY 546.A N VAL 542.A O no hydrogen 3.297 N/A GLY 546.A N GLN 543.A O no hydrogen 2.424 N/A HIS 547.A N LEU 544.A O no hydrogen 3.117 N/A TRP 554.A N PRO 133.A O no hydrogen 3.147 N/A ARG 555.A NE TRP 557.A OXT no hydrogen 2.941 N/A ARG 555.A NH1 TRP 557.A OXT no hydrogen 2.861 N/A ARG 555.A NH2 GLU 123.A OE1 no hydrogen 3.215 N/A TRP 557.A NE1 ASN 122.A O no hydrogen 2.852 N/A