Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qfr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N SER 2.A OG no hydrogen 3.388 N/A LYS 6.A N SER 2.A O no hydrogen 3.212 N/A LYS 6.A NZ GLU 288.A O no hydrogen 2.925 N/A MET 7.A N PHE 3.A O no hydrogen 3.109 N/A LYS 8.A N VAL 4.A O no hydrogen 3.056 N/A LYS 8.A NZ GLU 5.A OE2 no hydrogen 3.211 N/A LYS 8.A NZ GLU 61.A OE2 no hydrogen 3.131 N/A LYS 9.A N GLU 5.A O no hydrogen 3.027 N/A LYS 9.A NZ GLU 288.A OE2 no hydrogen 3.310 N/A THR 10.A N LYS 6.A O no hydrogen 3.043 N/A THR 10.A N MET 7.A O no hydrogen 3.293 N/A THR 10.A OG1 LYS 6.A O no hydrogen 2.918 N/A GLY 11.A N LYS 8.A O no hydrogen 3.284 N/A ARG 12.A N MET 7.A O no hydrogen 2.823 N/A ASN 13.A N ARG 42.A O no hydrogen 2.634 N/A ASN 13.A ND2 ASN 64.A O no hydrogen 3.430 N/A ILE 14.A N ARG 42.A O no hydrogen 3.208 N/A ILE 15.A N LEU 66.A O no hydrogen 2.988 N/A VAL 16.A N MET 44.A O no hydrogen 2.960 N/A PHE 17.A N VAL 68.A O no hydrogen 2.769 N/A TYR 18.A N ALA 46.A O no hydrogen 3.168 N/A GLY 19.A N CYS 70.A O no hydrogen 2.739 N/A SER 20.A N ASN 82.A OD1 no hydrogen 3.173 N/A GLU 27.A N GLY 23.A O no hydrogen 3.485 N/A PHE 28.A N THR 24.A O no hydrogen 3.074 N/A ALA 29.A N ALA 25.A O no hydrogen 2.874 N/A ASN 30.A N GLU 26.A O no hydrogen 2.677 N/A ARG 31.A N GLU 27.A O no hydrogen 2.657 N/A ARG 31.A NH1 GLU 147.A OE1 no hydrogen 3.154 N/A LEU 32.A N PHE 28.A O no hydrogen 3.016 N/A SER 33.A N ALA 29.A O no hydrogen 3.106 N/A LYS 34.A N ASN 30.A O no hydrogen 3.178 N/A LYS 34.A NZ GLN 178.A OE1 no hydrogen 2.541 N/A ASP 35.A N ARG 31.A O no hydrogen 3.269 N/A ASP 35.A N LEU 32.A O no hydrogen 2.799 N/A ALA 36.A N LEU 32.A O no hydrogen 3.340 N/A ARG 38.A N ASP 35.A O no hydrogen 2.955 N/A ARG 38.A NH1 ASP 35.A OD2 no hydrogen 2.868 N/A TYR 39.A N ALA 36.A O no hydrogen 2.758 N/A GLY 40.A N HIS 37.A O no hydrogen 3.400 N/A MET 41.A N ALA 36.A O no hydrogen 3.155 N/A ARG 42.A N ASN 13.A OD1 no hydrogen 3.035 N/A ARG 42.A NH1 MET 41.A O no hydrogen 2.752 N/A MET 44.A N ILE 14.A O no hydrogen 2.775 N/A SER 45.A OG ASN 30.A OD1 no hydrogen 2.690 N/A ALA 46.A N VAL 16.A O no hydrogen 2.991 N/A GLU 49.A N ASP 47.A OD2 no hydrogen 3.225 N/A GLU 50.A N ASP 47.A O no hydrogen 3.117 N/A TYR 51.A N PRO 48.A O no hydrogen 3.037 N/A ALA 54.A N ASP 52.A OD2 no hydrogen 3.239 N/A ASP 55.A N ASP 52.A O no hydrogen 3.063 N/A LEU 56.A N LEU 53.A O no hydrogen 2.862 N/A SER 57.A OG ALA 54.A O no hydrogen 3.485 N/A SER 58.A N ASP 55.A O no hydrogen 2.828 N/A LEU 59.A N LEU 56.A O no hydrogen 3.395 N/A GLU 61.A N SER 58.A O no hydrogen 3.153 N/A ILE 62.A N LEU 59.A O no hydrogen 2.952 N/A LEU 66.A N ASN 13.A O no hydrogen 2.954 N/A VAL 67.A N LYS 101.A O no hydrogen 2.975 N/A VAL 68.A N ILE 15.A O no hydrogen 2.841 N/A PHE 69.A N ALA 103.A O no hydrogen 2.999 N/A CYS 70.A N PHE 17.A O no hydrogen 2.784 N/A MET 71.A N PHE 105.A O no hydrogen 3.038 N/A ALA 72.A N GLY 19.A O no hydrogen 2.960 N/A THR 73.A N LEU 107.A O no hydrogen 3.200 N/A TYR 74.A N ASP 78.A O no hydrogen 2.863 N/A ASP 78.A N TYR 74.A O no hydrogen 2.686 N/A THR 80.A OG1 ASN 82.A OD1 no hydrogen 2.582 N/A ASN 82.A ND2 TYR 18.A O no hydrogen 2.992 N/A ASN 82.A ND2 ASP 47.A OD2 no hydrogen 2.879 N/A ALA 83.A N THR 80.A O no hydrogen 3.029 N/A GLN 84.A N ASP 81.A O no hydrogen 3.222 N/A TYR 87.A N ALA 83.A O no hydrogen 3.082 N/A ASP 88.A N GLN 84.A O no hydrogen 2.863 N/A TRP 89.A N ASP 85.A O no hydrogen 2.919 N/A LEU 90.A N PHE 86.A O no hydrogen 2.882 N/A GLN 91.A N TYR 87.A O no hydrogen 3.229 N/A GLU 92.A N TRP 89.A O no hydrogen 3.280 N/A THR 93.A N TRP 89.A O no hydrogen 3.011 N/A VAL 95.A N THR 93.A OG1 no hydrogen 3.212 N/A LEU 97.A N LEU 129.A O no hydrogen 2.857 N/A SER 98.A OG ASP 96.A OD1 no hydrogen 2.979 N/A SER 98.A OG ASP 96.A OD2 no hydrogen 2.961 N/A VAL 100.A N LEU 97.A O no hydrogen 3.143 N/A PHE 102.A N GLN 132.A O no hydrogen 3.043 N/A ALA 103.A N VAL 67.A O no hydrogen 3.182 N/A PHE 105.A N PHE 69.A O no hydrogen 2.804 N/A GLY 106.A N GLY 138.A O no hydrogen 2.765 N/A LEU 107.A N MET 71.A O no hydrogen 2.689 N/A GLY 108.A N GLY 140.A O no hydrogen 2.942 N/A LYS 110.A N ASP 141.A OD1 no hydrogen 3.437 N/A LYS 110.A NZ ASP 143.A OD2 no hydrogen 2.628 N/A THR 111.A N ASN 109.A OD1 no hydrogen 2.928 N/A THR 111.A OG1 ASN 109.A OD1 no hydrogen 2.701 N/A TYR 112.A N ASN 109.A O no hydrogen 3.006 N/A TYR 112.A OH VAL 602.A O no hydrogen 3.038 N/A ALA 117.A N HIS 114.A O no hydrogen 3.461 N/A MET 118.A N THR 73.A OG1 no hydrogen 3.046 N/A LYS 120.A N ASN 116.A O no hydrogen 3.112 N/A TYR 121.A N ALA 117.A O no hydrogen 2.945 N/A VAL 122.A N MET 118.A O no hydrogen 2.925 N/A ASP 123.A N GLY 119.A O no hydrogen 3.066 N/A LYS 124.A N LYS 120.A O no hydrogen 2.963 N/A ARG 125.A N TYR 121.A O no hydrogen 2.788 N/A ARG 125.A NE LEU 90.A O no hydrogen 2.713 N/A ARG 125.A NH2 LEU 90.A O no hydrogen 3.459 N/A LEU 126.A N VAL 122.A O no hydrogen 2.994 N/A GLN 128.A N LYS 124.A O no hydrogen 3.250 N/A LEU 129.A N ARG 125.A O no hydrogen 3.111 N/A GLY 130.A N GLU 127.A O no hydrogen 2.877 N/A ALA 131.A N LEU 126.A O no hydrogen 2.921 N/A GLN 132.A N VAL 100.A O no hydrogen 2.823 N/A ARG 133.A NE ASP 123.A OD1 no hydrogen 3.055 N/A ARG 133.A NE ASP 123.A OD2 no hydrogen 2.645 N/A ARG 133.A NH1 GLU 127.A OE2 no hydrogen 2.960 N/A ARG 133.A NH2 ASP 123.A O no hydrogen 3.444 N/A ARG 133.A NH2 ASP 123.A OD1 no hydrogen 2.774 N/A ARG 133.A NH2 GLU 127.A OE2 no hydrogen 2.787 N/A ILE 134.A N PHE 102.A O no hydrogen 2.787 N/A GLY 138.A N VAL 104.A O no hydrogen 2.801 N/A GLY 140.A N GLY 106.A O no hydrogen 2.789 N/A ASP 141.A N ASP 149.A OD1 no hydrogen 2.715 N/A ASP 142.A N GLY 108.A O no hydrogen 2.611 N/A ASP 143.A N ASP 141.A OD1 no hydrogen 2.612 N/A GLY 144.A N ASP 141.A O no hydrogen 3.030 N/A GLY 144.A N ASP 141.A OD1 no hydrogen 3.316 N/A GLU 148.A N ASN 145.A OD1 no hydrogen 2.772 N/A ASP 149.A N ASN 145.A O no hydrogen 3.137 N/A PHE 150.A N LEU 146.A O no hydrogen 2.876 N/A ILE 151.A N GLU 147.A O no hydrogen 2.931 N/A THR 152.A N GLU 148.A O no hydrogen 2.973 N/A THR 152.A OG1 GLU 148.A O no hydrogen 2.903 N/A TRP 153.A N ASP 149.A O no hydrogen 3.147 N/A TRP 153.A NE1 GLU 136.A O no hydrogen 3.143 N/A ARG 154.A N PHE 150.A O no hydrogen 2.743 N/A ARG 154.A NH1 ASP 35.A OD1 no hydrogen 3.081 N/A ARG 154.A NH1 ASP 35.A OD2 no hydrogen 3.438 N/A GLU 155.A N ILE 151.A O no hydrogen 3.035 N/A GLN 156.A N TRP 153.A O no hydrogen 3.052 N/A PHE 157.A N ARG 154.A O no hydrogen 2.818 N/A TRP 158.A N ARG 154.A O no hydrogen 3.141 N/A TRP 158.A NE1 ASP 35.A OD1 no hydrogen 2.936 N/A VAL 161.A N PHE 157.A O no hydrogen 2.918 N/A VAL 161.A N TRP 158.A O no hydrogen 2.647 N/A CYS 162.A N TRP 158.A O no hydrogen 2.741 N/A CYS 162.A SG TRP 158.A O no hydrogen 3.678 N/A GLU 163.A N PRO 159.A O no hydrogen 2.864 N/A HIS 164.A N VAL 161.A O no hydrogen 2.962 N/A PHE 165.A N VAL 161.A O no hydrogen 2.985 N/A VAL 167.A N CYS 162.A O no hydrogen 3.035 N/A THR 170.A N ARG 38.A O no hydrogen 2.665 N/A ARG 177.A NE GLU 380.A OE2 no hydrogen 2.750 N/A ARG 177.A NH1 ASP 376.A OD2 no hydrogen 3.082 N/A ARG 177.A NH2 ASP 376.A OD2 no hydrogen 3.173 N/A ARG 177.A NH2 GLU 380.A OE2 no hydrogen 2.972 N/A GLN 178.A N GLU 380.A OE1 no hydrogen 2.589 N/A TYR 179.A N GLU 380.A OE2 no hydrogen 3.227 N/A GLU 180.A N ASN 283.A O no hydrogen 2.796 N/A VAL 182.A N SER 281.A O no hydrogen 3.120 N/A HIS 184.A N VAL 279.A O no hydrogen 3.084 N/A VAL 192.A N ALA 189.A O no hydrogen 2.994 N/A TYR 193.A N PRO 298.A O no hydrogen 2.947 N/A TYR 193.A OH GLY 198.A O no hydrogen 2.564 N/A MET 194.A N GLU 196.A OE1 no hydrogen 2.810 N/A GLU 196.A N GLU 196.A OE1 no hydrogen 2.908 N/A LYS 201.A N GLU 196.A OE2 no hydrogen 2.568 N/A SER 202.A N ARG 199.A O no hydrogen 3.136 N/A SER 202.A OG MET 197.A O no hydrogen 3.315 N/A SER 202.A OG ARG 199.A O no hydrogen 2.822 N/A ASN 205.A N LYS 201.A O no hydrogen 2.886 N/A GLN 206.A NE2 SER 202.A O no hydrogen 3.160 N/A GLN 206.A NE2 PRO 215.A O no hydrogen 2.972 N/A ASP 211.A N ASN 214.A O no hydrogen 3.062 N/A ASN 214.A N ASP 211.A O no hydrogen 2.958 N/A PHE 216.A N MET 438.A O no hydrogen 2.986 N/A LEU 217.A N GLN 206.A OE1 no hydrogen 2.853 N/A ALA 218.A N VAL 436.A O no hydrogen 2.725 N/A VAL 220.A N ALA 434.A O no hydrogen 3.159 N/A THR 221.A N GLU 238.A O no hydrogen 2.982 N/A THR 221.A OG1 THR 222.A OG1 no hydrogen 3.407 N/A THR 222.A OG1 THR 221.A OG1 no hydrogen 3.407 N/A THR 222.A OG1 GLU 238.A OE2 no hydrogen 3.095 N/A ASN 223.A ND2 LEU 428.A O no hydrogen 3.058 N/A ASN 223.A ND2 ARG 429.A O no hydrogen 3.577 N/A ASN 223.A ND2 LYS 431.A O no hydrogen 3.017 N/A ARG 224.A N HIS 236.A O no hydrogen 3.016 N/A LYS 225.A NZ ASN 227.A OD1 no hydrogen 3.084 N/A LYS 225.A NZ GLY 229.A O no hydrogen 3.003 N/A LYS 225.A NZ ARG 232.A O no hydrogen 3.238 N/A LEU 226.A N LEU 234.A O no hydrogen 2.764 N/A ASN 227.A ND2 ARG 232.A O no hydrogen 3.018 N/A GLN 228.A N GLU 498.A O no hydrogen 2.866 N/A LEU 234.A N ASN 227.A OD1 no hydrogen 3.218 N/A MET 235.A N ALA 407.A O no hydrogen 2.775 N/A HIS 236.A N ARG 224.A O no hydrogen 2.871 N/A LEU 237.A N ILE 405.A O no hydrogen 2.771 N/A GLU 238.A N THR 222.A O no hydrogen 2.930 N/A LEU 239.A N VAL 403.A O no hydrogen 2.747 N/A ASP 240.A N ALA 219.A O no hydrogen 2.846 N/A ILE 241.A N ASN 401.A O no hydrogen 3.022 N/A SER 242.A N ASP 240.A OD1 no hydrogen 2.802 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 3.007 N/A SER 244.A N ILE 241.A O no hydrogen 2.906 N/A SER 244.A OG ILE 241.A O no hydrogen 2.470 N/A ILE 246.A N SER 244.A OG no hydrogen 3.058 N/A TYR 248.A OH SER 394.A OG no hydrogen 2.997 N/A TYR 248.A OH HIS 399.A O no hydrogen 2.904 N/A TYR 248.A OH SER 402.A O no hydrogen 2.885 N/A GLU 249.A N ASP 252.A OD2 no hydrogen 2.691 N/A SER 250.A OG SER 394.A O no hydrogen 3.226 N/A SER 250.A OG GLU 473.A OE1 no hydrogen 3.381 N/A ASP 252.A N GLU 249.A O no hydrogen 2.901 N/A HIS 253.A N ARG 441.A O no hydrogen 2.952 N/A VAL 254.A N TYR 390.A O no hydrogen 2.871 N/A ALA 255.A N PHE 439.A O no hydrogen 2.862 N/A VAL 256.A N HIS 388.A O no hydrogen 2.975 N/A TYR 257.A N PRO 437.A O no hydrogen 3.025 N/A TYR 257.A OH ALA 212.A O no hydrogen 2.736 N/A ASN 260.A N THR 306.A O no hydrogen 2.912 N/A ASN 260.A ND2 LEU 305.A O no hydrogen 2.674 N/A ASN 260.A ND2 LEU 309.A O no hydrogen 3.071 N/A ALA 263.A N ASP 261.A OD1 no hydrogen 2.974 N/A VAL 265.A N ASP 261.A O no hydrogen 3.223 N/A ASN 266.A N SER 262.A O no hydrogen 3.185 N/A GLN 267.A N ALA 263.A O no hydrogen 2.880 N/A LEU 268.A N LEU 264.A O no hydrogen 3.235 N/A GLY 269.A N VAL 265.A O no hydrogen 3.250 N/A LYS 270.A N ASN 266.A O no hydrogen 3.108 N/A ILE 271.A N GLN 267.A O no hydrogen 3.077 N/A ILE 271.A N LEU 268.A O no hydrogen 3.187 N/A LEU 272.A N GLY 269.A O no hydrogen 3.288 N/A ALA 274.A N GLY 269.A O no hydrogen 3.114 N/A ASP 277.A N ASP 275.A OD2 no hydrogen 3.122 N/A VAL 278.A N ASP 275.A O no hydrogen 3.223 N/A MET 280.A N THR 299.A O no hydrogen 3.008 N/A SER 281.A N VAL 182.A O no hydrogen 3.083 N/A SER 281.A OG ASN 283.A OD1 no hydrogen 2.964 N/A ASN 283.A N GLU 180.A O no hydrogen 2.989 N/A ASN 284.A N LYS 292.A O no hydrogen 3.092 N/A ASN 284.A ND2 GLN 178.A O no hydrogen 3.040 N/A LEU 285.A N GLN 178.A O no hydrogen 3.139 N/A GLU 288.A N ASP 286.A OD2 no hydrogen 3.307 N/A SER 289.A N ASP 286.A O no hydrogen 2.964 N/A SER 289.A OG ASN 284.A OD1 no hydrogen 3.424 N/A LYS 291.A NZ TYR 179.A OH no hydrogen 3.127 N/A LYS 292.A N ASN 290.A O no hydrogen 2.878 N/A CYS 297.A SG PHE 295.A O no hydrogen 3.310 N/A THR 299.A N MET 280.A O no hydrogen 2.895 N/A THR 299.A OG1 TYR 193.A O no hydrogen 2.822 N/A SER 300.A OG THR 303.A OG1 no hydrogen 3.098 N/A ARG 302.A N LEU 276.A O no hydrogen 2.948 N/A ARG 302.A NE ASP 277.A OD2 no hydrogen 3.326 N/A ARG 302.A NH1 ASN 266.A OD1 no hydrogen 2.840 N/A ARG 302.A NH2 ASP 277.A OD1 no hydrogen 2.496 N/A THR 303.A N SER 300.A OG no hydrogen 3.094 N/A THR 303.A OG1 SER 300.A OG no hydrogen 3.098 N/A ALA 304.A N SER 300.A O no hydrogen 3.118 N/A LEU 305.A N TYR 301.A O no hydrogen 2.796 N/A THR 306.A N ARG 302.A O no hydrogen 2.835 N/A THR 306.A OG1 ARG 302.A O no hydrogen 2.747 N/A TYR 307.A N THR 303.A O no hydrogen 2.847 N/A TYR 308.A N ALA 304.A O no hydrogen 3.041 N/A TYR 308.A OH GLU 196.A O no hydrogen 2.676 N/A ASP 310.A N PRO 383.A O no hydrogen 2.833 N/A THR 312.A N ASP 310.A OD2 no hydrogen 3.019 N/A THR 312.A OG1 ASP 310.A OD2 no hydrogen 3.466 N/A ASN 313.A N ASP 310.A OD2 no hydrogen 3.154 N/A ARG 316.A NE GLU 27.A OE1 no hydrogen 3.213 N/A ARG 316.A NH2 GLU 27.A OE1 no hydrogen 3.275 N/A ARG 316.A NH2 GLU 27.A OE2 no hydrogen 3.300 N/A THR 317.A N GLU 147.A OE2 no hydrogen 2.497 N/A THR 317.A OG1 GLU 147.A OE2 no hydrogen 3.224 N/A VAL 319.A N ARG 316.A O no hydrogen 3.114 N/A LEU 320.A N ARG 316.A O no hydrogen 3.305 N/A TYR 321.A N THR 317.A O no hydrogen 3.007 N/A GLU 322.A N ASN 318.A O no hydrogen 3.417 N/A LEU 323.A N VAL 319.A O no hydrogen 3.400 N/A ALA 324.A N TYR 321.A O no hydrogen 2.889 N/A TYR 326.A N LEU 323.A O no hydrogen 3.061 N/A ALA 327.A N ALA 324.A O no hydrogen 2.955 N/A GLN 333.A N GLU 329.A O no hydrogen 3.192 N/A GLU 334.A N PRO 330.A O no hydrogen 3.139 N/A LEU 335.A N SER 331.A O no hydrogen 3.166 N/A LEU 336.A N GLU 332.A O no hydrogen 3.190 N/A ARG 337.A N GLN 333.A O no hydrogen 2.977 N/A ARG 337.A NH2 TYR 321.A OH no hydrogen 3.128 N/A LYS 338.A N GLU 334.A O no hydrogen 3.475 N/A ALA 340.A N ARG 337.A O no hydrogen 3.228 N/A SER 341.A N LYS 338.A O no hydrogen 2.679 N/A SER 341.A OG LYS 338.A O no hydrogen 2.799 N/A LYS 347.A N SER 343.A O no hydrogen 3.412 N/A LEU 349.A N GLU 345.A O no hydrogen 2.730 N/A TYR 350.A N GLY 346.A O no hydrogen 3.056 N/A TYR 350.A OH PRO 315.A O no hydrogen 2.800 N/A LEU 351.A N LYS 347.A O no hydrogen 2.983 N/A SER 352.A N GLU 348.A O no hydrogen 2.976 N/A TRP 353.A N LEU 349.A O no hydrogen 2.712 N/A VAL 354.A N TYR 350.A O no hydrogen 2.982 N/A VAL 355.A N TYR 350.A O no hydrogen 3.120 N/A GLU 356.A N LEU 351.A O no hydrogen 2.542 N/A ALA 357.A N SER 352.A O no hydrogen 3.263 N/A ARG 358.A N VAL 355.A O no hydrogen 2.677 N/A ARG 358.A NH2 VAL 355.A O no hydrogen 2.916 N/A ARG 359.A N VAL 354.A O no hydrogen 2.895 N/A ARG 359.A NE ASP 367.A OD1 no hydrogen 2.402 N/A ARG 359.A NH1 TRP 353.A O no hydrogen 2.590 N/A ILE 364.A N HIS 360.A O no hydrogen 3.086 N/A LEU 365.A N ILE 361.A O no hydrogen 3.119 N/A GLN 366.A N LEU 362.A O no hydrogen 2.926 N/A ASP 367.A N ALA 363.A O no hydrogen 3.049 N/A ASP 367.A N ILE 364.A O no hydrogen 2.978 N/A SER 370.A N GLU 332.A OE1 no hydrogen 2.900 N/A SER 370.A OG GLU 332.A OE1 no hydrogen 2.542 N/A LEU 371.A N CYS 368.A O no hydrogen 2.704 N/A ARG 372.A N TYR 326.A O no hydrogen 2.995 N/A HIS 377.A N PRO 374.A O no hydrogen 2.901 N/A LEU 378.A N PRO 374.A O no hydrogen 3.283 N/A CYS 379.A N ILE 375.A O no hydrogen 3.080 N/A CYS 379.A SG ILE 375.A O no hydrogen 3.426 N/A GLU 380.A N HIS 377.A O no hydrogen 3.080 N/A LEU 381.A N HIS 377.A O no hydrogen 3.209 N/A LEU 382.A N LEU 378.A O no hydrogen 3.029 N/A ARG 384.A NE TYR 308.A O no hydrogen 2.932 N/A LEU 385.A N TYR 308.A O no hydrogen 2.955 N/A GLN 386.A NE2 ARG 384.A O no hydrogen 3.396 N/A HIS 388.A N VAL 256.A O no hydrogen 2.893 N/A HIS 388.A ND1 GLN 386.A O no hydrogen 2.955 N/A TYR 390.A N VAL 254.A O no hydrogen 2.935 N/A SER 391.A OG ASP 601.A OD1 no hydrogen 3.010 N/A ILE 392.A N ASP 252.A O no hydrogen 3.093 N/A ALA 393.A N HIS 404.A O no hydrogen 2.733 N/A SER 394.A OG TYR 248.A OH no hydrogen 2.997 N/A SER 394.A OG SER 402.A O no hydrogen 3.545 N/A SER 395.A N GLN 472.A OE1 no hydrogen 2.938 N/A SER 395.A OG GLU 473.A OE1 no hydrogen 2.993 N/A SER 396.A OG TYR 248.A O no hydrogen 2.838 N/A LYS 397.A N SER 395.A OG no hydrogen 3.099 N/A LYS 397.A NZ GLU 473.A OE2 no hydrogen 2.935 N/A VAL 398.A N SER 395.A O no hydrogen 2.861 N/A HIS 399.A N SER 395.A O no hydrogen 2.844 N/A SER 402.A N HIS 399.A O no hydrogen 3.289 N/A SER 402.A OG LEU 239.A O no hydrogen 3.492 N/A SER 402.A OG HIS 404.A NE2 no hydrogen 2.996 N/A VAL 403.A N LEU 239.A O no hydrogen 2.791 N/A HIS 404.A N SER 394.A OG no hydrogen 3.053 N/A ILE 405.A N LEU 237.A O no hydrogen 2.805 N/A ALA 407.A N MET 235.A O no hydrogen 2.982 N/A VAL 409.A N HIS 233.A O no hydrogen 2.908 N/A VAL 410.A N THR 425.A OG1 no hydrogen 3.079 N/A TYR 412.A N ASN 420.A O no hydrogen 3.093 N/A THR 414.A N ARG 418.A O no hydrogen 2.965 N/A GLY 417.A N THR 414.A O no hydrogen 2.737 N/A ARG 418.A N THR 414.A OG1 no hydrogen 3.016 N/A ARG 418.A NH1 ASP 367.A OD1 no hydrogen 3.231 N/A ARG 418.A NH1 ASP 367.A OD2 no hydrogen 2.609 N/A ARG 418.A NH2 ASP 367.A OD1 no hydrogen 3.498 N/A ASN 420.A N TYR 412.A O no hydrogen 2.859 N/A GLY 422.A N VAL 410.A O no hydrogen 2.687 N/A ASN 426.A N GLY 422.A O no hydrogen 3.182 N/A ASN 426.A ND2 VAL 410.A O no hydrogen 3.025 N/A ASN 426.A ND2 GLY 422.A O no hydrogen 2.971 N/A TRP 427.A N VAL 423.A O no hydrogen 2.979 N/A LEU 428.A N ALA 424.A O no hydrogen 2.679 N/A ARG 429.A N THR 425.A O no hydrogen 2.825 N/A ALA 430.A N ASN 426.A O no hydrogen 3.166 N/A ALA 430.A N TRP 427.A O no hydrogen 3.298 N/A LYS 431.A N LEU 428.A O no hydrogen 2.957 N/A LYS 431.A NZ LEU 435.A O no hydrogen 2.742 N/A VAL 436.A N ALA 218.A O no hydrogen 2.793 N/A MET 438.A N PHE 216.A O no hydrogen 2.805 N/A PHE 439.A N ALA 255.A O no hydrogen 3.090 N/A ARG 441.A N HIS 253.A O no hydrogen 2.804 N/A ARG 441.A NH1 ASP 81.A OD1 no hydrogen 3.356 N/A ARG 441.A NH2 ASP 81.A OD1 no hydrogen 3.565 N/A ARG 441.A NH2 ASP 81.A OD2 no hydrogen 3.125 N/A SER 443.A N ASP 252.A OD1 no hydrogen 2.977 N/A SER 443.A OG GLY 251.A O no hydrogen 2.780 N/A PHE 445.A N SER 443.A OG no hydrogen 3.009 N/A ARG 446.A NH1 ASP 252.A OD1 no hydrogen 3.148 N/A ARG 446.A NH1 PHE 445.A O no hydrogen 2.992 N/A ARG 446.A NH2 ASP 252.A OD1 no hydrogen 2.760 N/A THR 453.A N LYS 450.A O no hydrogen 3.217 N/A THR 453.A OG1 LYS 450.A O no hydrogen 3.234 N/A VAL 455.A N GLU 486.A O no hydrogen 3.021 N/A ILE 456.A N HIS 552.A O no hydrogen 2.857 N/A MET 457.A N LEU 488.A O no hydrogen 2.894 N/A VAL 458.A N TYR 554.A O no hydrogen 2.761 N/A GLY 459.A N TYR 490.A O no hydrogen 3.005 N/A GLY 461.A N GLY 492.A O no hydrogen 2.879 N/A GLY 463.A N PRO 460.A O no hydrogen 2.836 N/A VAL 464.A N GLY 461.A O no hydrogen 3.081 N/A ALA 465.A N THR 462.A O no hydrogen 2.943 N/A ILE 468.A N VAL 464.A O no hydrogen 3.214 N/A ILE 468.A N ALA 465.A O no hydrogen 3.082 N/A GLY 469.A N PRO 466.A O no hydrogen 3.204 N/A PHE 470.A N PRO 466.A O no hydrogen 3.045 N/A ILE 471.A N PHE 467.A O no hydrogen 2.767 N/A GLN 472.A N ILE 468.A O no hydrogen 3.214 N/A GLU 473.A N GLY 469.A O no hydrogen 3.023 N/A ARG 474.A N PHE 470.A O no hydrogen 2.940 N/A ARG 474.A NE THR 487.A OG1 no hydrogen 3.054 N/A ARG 474.A NH1 THR 453.A O no hydrogen 3.376 N/A ARG 474.A NH2 THR 453.A O no hydrogen 2.706 N/A ARG 474.A NH2 GLY 485.A O no hydrogen 3.510 N/A ARG 474.A NH2 GLU 486.A O no hydrogen 3.530 N/A ARG 474.A NH2 THR 487.A OG1 no hydrogen 3.405 N/A ALA 475.A N ILE 471.A O no hydrogen 2.945 N/A TRP 476.A N GLN 472.A O no hydrogen 2.793 N/A LEU 477.A N GLU 473.A O no hydrogen 2.884 N/A ARG 478.A N ARG 474.A O no hydrogen 3.221 N/A ARG 478.A NH2 ASP 512.A O no hydrogen 3.440 N/A GLN 479.A N ALA 475.A O no hydrogen 3.175 N/A GLN 480.A N TRP 476.A O no hydrogen 3.159 N/A GLY 481.A N ARG 478.A O no hydrogen 3.048 N/A LYS 482.A N LEU 477.A O no hydrogen 3.098 N/A GLY 485.A N ALA 451.A O no hydrogen 3.271 N/A THR 487.A N THR 516.A OG1 no hydrogen 2.755 N/A THR 487.A OG1 GLY 485.A O no hydrogen 3.555 N/A LEU 488.A N VAL 455.A O no hydrogen 3.088 N/A LEU 489.A N GLN 517.A O no hydrogen 3.127 N/A TYR 490.A N MET 457.A O no hydrogen 2.668 N/A TYR 490.A OH ASP 539.A OD1 no hydrogen 2.642 N/A TYR 491.A N ASN 519.A O no hydrogen 2.893 N/A TYR 491.A OH ASP 499.A O no hydrogen 3.041 N/A CYS 493.A N ALA 521.A O no hydrogen 3.045 N/A ARG 494.A N ASP 499.A OD1 no hydrogen 3.028 N/A ARG 495.A N ASP 499.A OD1 no hydrogen 3.347 N/A ARG 495.A NH1 ARG 524.A O no hydrogen 3.166 N/A SER 496.A OG GLU 525.A OE2 no hydrogen 2.765 N/A GLU 498.A N ARG 495.A O no hydrogen 2.718 N/A LEU 501.A N TYR 491.A OH no hydrogen 2.901 N/A GLU 505.A N GLU 505.A OE1 no hydrogen 2.691 N/A LEU 506.A N TYR 502.A O no hydrogen 3.022 N/A ALA 507.A N ARG 503.A O no hydrogen 3.001 N/A GLN 508.A N GLU 504.A O no hydrogen 2.943 N/A PHE 509.A N GLU 505.A O no hydrogen 2.892 N/A HIS 510.A N LEU 506.A O no hydrogen 2.918 N/A ARG 511.A N ALA 507.A O no hydrogen 2.953 N/A ASP 512.A N GLN 508.A O no hydrogen 3.017 N/A GLY 513.A N HIS 510.A O no hydrogen 3.017 N/A LEU 515.A N PHE 509.A O no hydrogen 3.276 N/A GLN 517.A N THR 487.A O no hydrogen 3.439 N/A ASN 519.A N LEU 489.A O no hydrogen 3.075 N/A ALA 521.A N TYR 491.A O no hydrogen 3.116 N/A SER 523.A N CYS 493.A O no hydrogen 2.994 N/A SER 523.A OG CYS 493.A O no hydrogen 3.342 N/A ARG 524.A N ARG 494.A O no hydrogen 3.148 N/A HIS 528.A N HIS 528.A ND1 no hydrogen 2.815 N/A LYS 529.A NZ TYR 531.A OH no hydrogen 2.901 N/A TYR 531.A N HIS 534.A ND1 no hydrogen 3.088 N/A HIS 534.A N TYR 531.A O no hydrogen 3.191 N/A LEU 535.A N TYR 531.A O no hydrogen 3.462 N/A LEU 536.A N VAL 532.A O no hydrogen 2.878 N/A LYS 537.A N GLN 533.A O no hydrogen 2.875 N/A LYS 537.A NZ GLU 576.A OE2 no hydrogen 3.205 N/A GLN 538.A N HIS 534.A O no hydrogen 3.080 N/A GLN 538.A NE2 HIS 534.A O no hydrogen 3.574 N/A ASP 539.A N LEU 535.A O no hydrogen 3.225 N/A ARG 540.A N LYS 537.A O no hydrogen 2.703 N/A ARG 540.A NE GLU 576.A OE1 no hydrogen 3.298 N/A HIS 542.A NE2 GLU 486.A OE1 no hydrogen 2.710 N/A LEU 543.A N ASP 539.A O no hydrogen 2.978 N/A TRP 544.A N ARG 540.A O no hydrogen 2.912 N/A LYS 545.A N GLU 541.A O no hydrogen 3.233 N/A LEU 546.A N HIS 542.A O no hydrogen 2.920 N/A ILE 547.A N LEU 543.A O no hydrogen 2.694 N/A GLU 548.A N TRP 544.A O no hydrogen 2.698 N/A GLY 549.A N LYS 545.A O no hydrogen 3.076 N/A GLY 549.A N LEU 546.A O no hydrogen 3.014 N/A GLY 550.A N ILE 547.A O no hydrogen 3.220 N/A ALA 551.A N LEU 546.A O no hydrogen 3.095 N/A HIS 552.A N PRO 454.A O no hydrogen 3.048 N/A ILE 553.A N ARG 597.A O no hydrogen 2.721 N/A TYR 554.A N ILE 456.A O no hydrogen 2.780 N/A TYR 554.A OH ARG 446.A O no hydrogen 2.422 N/A VAL 555.A N SER 599.A O no hydrogen 3.073 N/A CYS 556.A N VAL 458.A O no hydrogen 2.906 N/A CYS 556.A SG GLY 463.A O no hydrogen 3.172 N/A CYS 556.A SG ASP 601.A O no hydrogen 3.368 N/A CYS 556.A SG ASP 601.A OD1 no hydrogen 3.744 N/A GLY 557.A N ASP 601.A O no hydrogen 3.435 N/A ALA 559.A N TRP 603.A O no hydrogen 2.931 N/A ARG 560.A N ASP 558.A OD2 no hydrogen 3.196 N/A ARG 560.A NH1 SER 604.A OXT no hydrogen 3.257 N/A ASN 561.A N ASP 558.A OD1 no hydrogen 3.236 N/A MET 562.A N ASP 558.A OD1 no hydrogen 3.323 N/A ALA 563.A N ASP 558.A O no hydrogen 3.197 N/A ASP 565.A N ASN 561.A O no hydrogen 3.075 N/A ASP 565.A N MET 562.A O no hydrogen 3.013 N/A VAL 566.A N MET 562.A O no hydrogen 2.957 N/A GLN 567.A N ALA 563.A O no hydrogen 3.246 N/A GLN 567.A NE2 GLU 113.A OE2 no hydrogen 3.324 N/A GLN 567.A NE2 TYR 571.A OH no hydrogen 2.626 N/A ASN 568.A N ARG 564.A O no hydrogen 2.923 N/A THR 569.A N ASP 565.A O no hydrogen 2.873 N/A THR 569.A OG1 ASP 565.A O no hydrogen 2.863 N/A PHE 570.A N VAL 566.A O no hydrogen 3.119 N/A TYR 571.A N GLN 567.A O no hydrogen 2.988 N/A TYR 571.A N ASN 568.A O no hydrogen 3.113 N/A ASP 572.A N ASN 568.A O no hydrogen 3.047 N/A ILE 573.A N THR 569.A O no hydrogen 3.000 N/A VAL 574.A N PHE 570.A O no hydrogen 3.234 N/A ALA 575.A N TYR 571.A O no hydrogen 2.871 N/A GLU 576.A N ASP 572.A O no hydrogen 2.721 N/A LEU 577.A N ILE 573.A O no hydrogen 3.072 N/A GLY 578.A N VAL 574.A O no hydrogen 2.684 N/A GLN 584.A N GLU 581.A O no hydrogen 2.977 N/A ALA 585.A N GLU 581.A O no hydrogen 3.014 N/A VAL 586.A N HIS 582.A O no hydrogen 2.842 N/A ASP 587.A N ALA 583.A O no hydrogen 3.202 N/A TYR 588.A N GLN 584.A O no hydrogen 2.814 N/A ILE 589.A N ALA 585.A O no hydrogen 2.838 N/A LYS 590.A N VAL 586.A O no hydrogen 2.926 N/A LYS 590.A NZ GLU 113.A OE1 no hydrogen 3.494 N/A LYS 591.A N ASP 587.A O no hydrogen 2.850 N/A LYS 591.A N TYR 588.A O no hydrogen 3.056 N/A LEU 592.A N TYR 588.A O no hydrogen 3.093 N/A MET 593.A N ILE 589.A O no hydrogen 3.163 N/A THR 594.A N LYS 590.A O no hydrogen 3.389 N/A THR 594.A OG1 LYS 591.A O no hydrogen 2.972 N/A LYS 595.A N LYS 591.A O no hydrogen 2.959 N/A LYS 595.A N LEU 592.A O no hydrogen 3.020 N/A GLY 596.A N MET 593.A O no hydrogen 3.142 N/A ARG 597.A N LEU 592.A O no hydrogen 2.782 N/A SER 599.A N ILE 553.A O no hydrogen 2.898 N/A ASP 601.A N VAL 555.A O no hydrogen 3.049 N/A TRP 603.A N GLY 557.A O no hydrogen 3.082 N/A