Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1fnm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ALA 338.A O no hydrogen 2.853 N/A ARG 6.A N ASP 3.A O no hydrogen 2.594 N/A ARG 6.A NE ASP 3.A OD2 no hydrogen 3.423 N/A LEU 7.A N LEU 4.A O no hydrogen 2.586 N/A ARG 8.A NE LEU 7.A O no hydrogen 3.318 N/A ASN 9.A ND2 ASP 69.A OD2 no hydrogen 2.781 N/A ASN 9.A ND2 GLY 339.A O no hydrogen 2.826 N/A ILE 10.A N ASN 47.A O no hydrogen 3.026 N/A ALA 13.A N ILE 72.A O no hydrogen 3.217 N/A HIS 15.A ND1 ILE 16.A O no hydrogen 3.084 N/A ILE 16.A N GLN 84.A OE1 no hydrogen 2.985 N/A ALA 18.A N HIS 15.A O no hydrogen 2.833 N/A LYS 20.A NZ THR 51.A OG1 no hydrogen 2.601 N/A THR 23.A N GLY 19.A O no hydrogen 2.969 N/A THR 23.A OG1 GLY 19.A O no hydrogen 2.860 N/A THR 24.A N LYS 20.A O no hydrogen 2.916 N/A THR 24.A OG1 LYS 20.A O no hydrogen 2.969 N/A GLU 25.A N THR 21.A O no hydrogen 2.786 N/A ARG 26.A N THR 22.A O no hydrogen 2.848 N/A ARG 26.A NE GLU 25.A OE2 no hydrogen 2.815 N/A ARG 26.A NH1 ASN 233.A OD1 no hydrogen 2.578 N/A ARG 26.A NH2 GLU 25.A OE1 no hydrogen 3.417 N/A ARG 26.A NH2 GLU 25.A OE2 no hydrogen 3.119 N/A ILE 27.A N THR 23.A O no hydrogen 3.056 N/A LEU 28.A N THR 24.A O no hydrogen 3.001 N/A TYR 29.A N GLU 25.A O no hydrogen 2.919 N/A TYR 30.A N ARG 26.A O no hydrogen 3.109 N/A TYR 30.A OH ASN 233.A O no hydrogen 3.391 N/A THR 31.A N ILE 27.A O no hydrogen 2.910 N/A THR 31.A OG1 ILE 27.A O no hydrogen 2.914 N/A THR 31.A OG1 LEU 28.A O no hydrogen 3.398 N/A ARG 33.A N TYR 30.A O no hydrogen 3.314 N/A ARG 33.A NH1 TYR 29.A OH no hydrogen 3.156 N/A ARG 33.A NH1 GLY 160.A O no hydrogen 3.047 N/A THR 37.A N ILE 48.A O no hydrogen 3.335 N/A THR 38.A N MET 325.A O no hydrogen 2.913 N/A THR 38.A OG1 ASN 47.A OD1 no hydrogen 2.960 N/A CYS 39.A N ILE 46.A O no hydrogen 3.013 N/A CYS 39.A SG ILE 46.A O no hydrogen 3.575 N/A TRP 41.A N HIS 44.A O no hydrogen 2.798 N/A TRP 41.A NE1 ASP 241.A OD1 no hydrogen 2.750 N/A LYS 42.A NZ ASP 241.A OD1 no hydrogen 3.031 N/A HIS 44.A ND1 LYS 42.A O no hydrogen 2.630 N/A ARG 45.A N ARG 6.A O no hydrogen 3.195 N/A ARG 45.A NH1 THR 38.A OG1 no hydrogen 2.820 N/A ILE 46.A N CYS 39.A O no hydrogen 2.703 N/A ASN 47.A N ARG 8.A O no hydrogen 3.165 N/A ASN 47.A ND2 ASN 9.A OD1 no hydrogen 2.955 N/A ASN 47.A ND2 ASP 340.A OD1 no hydrogen 3.507 N/A ILE 48.A N THR 37.A O no hydrogen 2.921 N/A ILE 49.A N ILE 10.A O no hydrogen 2.697 N/A ASP 50.A N ALA 35.A O no hydrogen 3.048 N/A THR 51.A OG1 ILE 12.A O no hydrogen 2.767 N/A ASP 56.A N HIS 54.A ND1 no hydrogen 3.045 N/A PHE 57.A N HIS 54.A O no hydrogen 2.925 N/A THR 58.A N ASP 56.A O no hydrogen 2.436 N/A THR 58.A OG1 ASP 56.A O no hydrogen 3.128 N/A VAL 61.A N PHE 57.A O no hydrogen 2.940 N/A GLU 62.A N THR 58.A O no hydrogen 3.049 N/A ARG 63.A N ILE 59.A O no hydrogen 3.088 N/A ARG 63.A NE GLU 367.A OE2 no hydrogen 2.702 N/A ARG 63.A NH2 GLU 367.A OE1 no hydrogen 2.887 N/A ARG 63.A NH2 GLU 367.A OE2 no hydrogen 3.284 N/A SER 64.A N GLU 60.A O no hydrogen 2.999 N/A SER 64.A OG VAL 61.A O no hydrogen 2.843 N/A MET 65.A N VAL 61.A O no hydrogen 2.991 N/A MET 65.A N GLU 62.A O no hydrogen 3.092 N/A ARG 66.A N GLU 62.A O no hydrogen 3.244 N/A ARG 66.A NH1 LEU 366.A O no hydrogen 2.817 N/A ARG 66.A NH2 LEU 366.A O no hydrogen 2.665 N/A VAL 67.A N ARG 63.A O no hydrogen 3.016 N/A LEU 68.A N SER 64.A O no hydrogen 2.948 N/A ASP 69.A N ASN 9.A O no hydrogen 2.777 N/A GLY 70.A N ASN 9.A O no hydrogen 2.900 N/A ALA 71.A N PRO 98.A O no hydrogen 3.156 N/A ILE 72.A N GLY 11.A O no hydrogen 3.431 N/A VAL 73.A N ILE 100.A O no hydrogen 2.858 N/A VAL 74.A N ALA 13.A O no hydrogen 2.992 N/A PHE 75.A N PHE 102.A O no hydrogen 2.985 N/A SER 77.A N ASN 104.A O no hydrogen 2.699 N/A SER 77.A OG ASN 104.A O no hydrogen 2.682 N/A SER 78.A N ASP 76.A OD1 no hydrogen 2.920 N/A SER 78.A OG ASP 76.A OD1 no hydrogen 2.787 N/A GLN 79.A N ASP 76.A O no hydrogen 2.891 N/A GLY 80.A N ASP 76.A O no hydrogen 2.870 N/A VAL 81.A N THR 119.A OG1 no hydrogen 3.243 N/A GLU 86.A N GLU 82.A O no hydrogen 3.082 N/A THR 87.A N PRO 83.A O no hydrogen 3.123 N/A THR 87.A OG1 PRO 83.A O no hydrogen 3.290 N/A VAL 88.A N GLN 84.A O no hydrogen 2.776 N/A TRP 89.A N SER 85.A O no hydrogen 2.961 N/A ARG 90.A N GLU 86.A O no hydrogen 2.851 N/A ARG 90.A NE GLU 86.A OE2 no hydrogen 3.381 N/A ARG 90.A NH1 GLU 93.A OE1 no hydrogen 2.768 N/A ARG 90.A NH1 ASN 606.A OD1 no hydrogen 3.031 N/A ARG 90.A NH2 GLU 86.A OE2 no hydrogen 2.661 N/A ARG 90.A NH2 ASN 606.A OD1 no hydrogen 2.862 N/A GLN 91.A N THR 87.A O no hydrogen 3.054 N/A ALA 92.A N VAL 88.A O no hydrogen 2.757 N/A GLU 93.A N TRP 89.A O no hydrogen 2.816 N/A LYS 94.A N ARG 90.A O no hydrogen 2.770 N/A LYS 94.A NZ GLU 62.A OE2 no hydrogen 2.518 N/A TYR 95.A N GLN 91.A O no hydrogen 3.167 N/A LYS 96.A N GLU 93.A O no hydrogen 2.910 N/A VAL 97.A N ALA 92.A O no hydrogen 3.000 N/A ARG 99.A NE VAL 97.A O no hydrogen 2.868 N/A ARG 99.A NH2 VAL 97.A O no hydrogen 2.928 N/A ILE 100.A N ALA 71.A O no hydrogen 3.019 N/A ALA 101.A N PRO 224.A O no hydrogen 2.942 N/A PHE 102.A N VAL 73.A O no hydrogen 2.724 N/A ALA 103.A N PHE 226.A O no hydrogen 2.637 N/A ASN 104.A N PHE 75.A O no hydrogen 2.979 N/A ASN 104.A ND2 GLY 228.A O no hydrogen 3.503 N/A LYS 105.A NZ ASP 17.A O no hydrogen 2.952 N/A LYS 105.A NZ ASP 76.A OD2 no hydrogen 3.271 N/A MET 106.A N GLY 228.A O no hydrogen 3.201 N/A LYS 108.A N LYS 105.A O no hydrogen 2.944 N/A GLY 110.A N GLU 138.A OE2 no hydrogen 3.363 N/A ALA 111.A N LYS 108.A O no hydrogen 3.166 N/A ASP 112.A N SER 77.A O no hydrogen 2.577 N/A TRP 114.A N ASP 112.A OD1 no hydrogen 3.342 N/A LEU 115.A N ASP 112.A O no hydrogen 3.144 N/A VAL 116.A N ASP 112.A O no hydrogen 3.392 N/A ILE 117.A N LEU 113.A O no hydrogen 3.068 N/A ARG 118.A N TRP 114.A O no hydrogen 2.885 N/A THR 119.A N LEU 115.A O no hydrogen 3.088 N/A THR 119.A OG1 LEU 115.A O no hydrogen 2.584 N/A THR 119.A OG1 VAL 116.A O no hydrogen 3.471 N/A MET 120.A N VAL 116.A O no hydrogen 3.091 N/A GLN 121.A N ILE 117.A O no hydrogen 3.000 N/A GLU 122.A N ARG 118.A O no hydrogen 2.751 N/A ARG 123.A N THR 119.A O no hydrogen 2.923 N/A ARG 123.A NE GLU 86.A OE1 no hydrogen 3.060 N/A ARG 123.A NH2 GLU 86.A OE1 no hydrogen 2.987 N/A LEU 124.A N MET 120.A O no hydrogen 3.133 N/A GLY 125.A N GLN 121.A O no hydrogen 2.966 N/A ALA 126.A N MET 120.A O no hydrogen 3.248 N/A ARG 127.A NH2 ASP 189.A OD2 no hydrogen 3.173 N/A VAL 129.A N THR 223.A O no hydrogen 2.968 N/A MET 131.A N VAL 225.A O no hydrogen 3.248 N/A GLN 132.A NE2 LEU 227.A O no hydrogen 3.204 N/A LEU 133.A N ILE 145.A O no hydrogen 3.097 N/A GLY 136.A N TYR 172.A OH no hydrogen 3.265 N/A ARG 137.A N THR 140.A OG1 no hydrogen 3.057 N/A PHE 141.A N GLU 138.A O no hydrogen 3.227 N/A SER 142.A N ILE 135.A O no hydrogen 2.545 N/A SER 142.A OG ILE 135.A O no hydrogen 3.417 N/A GLY 143.A N ILE 135.A O no hydrogen 3.255 N/A ILE 144.A N TYR 153.A O no hydrogen 2.872 N/A ILE 145.A N LEU 133.A O no hydrogen 2.745 N/A ASP 146.A N LYS 151.A O no hydrogen 2.714 N/A VAL 147.A N MET 131.A O no hydrogen 3.073 N/A LEU 148.A N ASP 146.A OD1 no hydrogen 2.789 N/A ARG 149.A N ASP 146.A OD1 no hydrogen 2.899 N/A ARG 149.A NH1 ASP 146.A OD2 no hydrogen 2.630 N/A ARG 149.A NH2 ASP 245.A OD1 no hydrogen 3.136 N/A LYS 151.A N ASP 146.A O no hydrogen 3.164 N/A ALA 152.A N ILE 166.A O no hydrogen 3.108 N/A TYR 153.A N ILE 144.A O no hydrogen 2.834 N/A THR 154.A N ARG 164.A O no hydrogen 2.980 N/A TYR 155.A N SER 142.A O no hydrogen 2.992 N/A GLY 156.A N ASP 162.A O no hydrogen 2.713 N/A ARG 164.A N THR 154.A O no hydrogen 2.965 N/A ARG 164.A NE ASP 162.A OD2 no hydrogen 2.651 N/A ARG 164.A NH2 ASP 162.A OD1 no hydrogen 2.853 N/A ARG 164.A NH2 ASP 162.A OD2 no hydrogen 3.508 N/A TYR 172.A N PRO 169.A O no hydrogen 2.737 N/A LEU 173.A N PRO 169.A O no hydrogen 3.167 N/A LEU 173.A N GLU 170.A O no hydrogen 3.042 N/A ALA 176.A N TYR 172.A O no hydrogen 2.913 N/A ARG 177.A N LEU 173.A O no hydrogen 3.319 N/A GLU 178.A N ASP 174.A O no hydrogen 2.967 N/A TYR 179.A N GLN 175.A O no hydrogen 2.948 N/A HIS 180.A N ALA 176.A O no hydrogen 2.647 N/A HIS 180.A ND1 VAL 147.A O no hydrogen 2.713 N/A HIS 180.A NE2 GLU 203.A OE2 no hydrogen 2.632 N/A GLU 181.A N ARG 177.A O no hydrogen 2.943 N/A LYS 182.A N GLU 178.A O no hydrogen 3.075 N/A LYS 182.A NZ GLU 178.A OE2 no hydrogen 3.536 N/A LEU 183.A N TYR 179.A O no hydrogen 2.719 N/A VAL 184.A N HIS 180.A O no hydrogen 2.947 N/A GLU 185.A N GLU 181.A O no hydrogen 3.013 N/A VAL 186.A N LYS 182.A O no hydrogen 3.255 N/A ALA 187.A N LEU 183.A O no hydrogen 3.072 N/A ALA 188.A N VAL 184.A O no hydrogen 2.900 N/A ASP 189.A N VAL 186.A O no hydrogen 3.040 N/A PHE 190.A N ALA 187.A O no hydrogen 2.987 N/A ASN 193.A N ASP 191.A OD2 no hydrogen 2.659 N/A ILE 194.A N ASP 191.A O no hydrogen 3.099 N/A MET 195.A N ASP 191.A O no hydrogen 2.844 N/A LEU 196.A N GLU 192.A O no hydrogen 2.869 N/A LYS 197.A NZ GLU 208.A OE1 no hydrogen 3.018 N/A LYS 197.A NZ GLU 208.A OE2 no hydrogen 3.029 N/A TYR 198.A N ILE 194.A O no hydrogen 2.668 N/A LEU 199.A N MET 195.A O no hydrogen 3.007 N/A GLU 200.A N LEU 196.A O no hydrogen 2.902 N/A GLY 201.A N TYR 198.A O no hydrogen 2.975 N/A GLU 202.A N LYS 197.A O no hydrogen 2.834 N/A THR 205.A N GLU 208.A OE1 no hydrogen 2.410 N/A GLU 208.A N THR 205.A O no hydrogen 2.751 N/A LEU 209.A N THR 205.A O no hydrogen 2.974 N/A VAL 210.A N GLU 206.A O no hydrogen 2.848 N/A ALA 211.A N GLU 207.A O no hydrogen 3.228 N/A ALA 211.A N GLU 208.A O no hydrogen 3.141 N/A ALA 212.A N GLU 208.A O no hydrogen 3.086 N/A ILE 213.A N LEU 209.A O no hydrogen 2.936 N/A ARG 214.A N VAL 210.A O no hydrogen 3.219 N/A ARG 214.A NH1 ASP 245.A O no hydrogen 2.951 N/A ARG 214.A NH1 LEU 247.A O no hydrogen 2.875 N/A ARG 214.A NH2 LEU 247.A O no hydrogen 2.957 N/A ARG 214.A NH2 ASP 252.A OD2 no hydrogen 3.108 N/A LYS 215.A N ALA 211.A O no hydrogen 2.905 N/A GLY 216.A N ALA 212.A O no hydrogen 2.861 N/A THR 217.A N ILE 213.A O no hydrogen 2.790 N/A THR 217.A OG1 ILE 213.A O no hydrogen 2.767 N/A ILE 218.A N ARG 214.A O no hydrogen 2.889 N/A ASP 219.A N GLY 216.A O no hydrogen 3.090 N/A LEU 220.A N THR 217.A O no hydrogen 3.459 N/A LYS 221.A N GLY 216.A O no hydrogen 3.055 N/A THR 223.A OG1 ALA 126.A O no hydrogen 3.514 N/A VAL 225.A N VAL 129.A O no hydrogen 2.941 N/A PHE 226.A N ALA 101.A O no hydrogen 2.974 N/A GLY 228.A N ALA 103.A O no hydrogen 2.924 N/A SER 229.A N LYS 234.A O no hydrogen 2.934 N/A SER 229.A OG ASP 107.A OD1 no hydrogen 2.831 N/A LYS 232.A N SER 229.A OG no hydrogen 3.021 N/A ASN 233.A N ALA 230.A O no hydrogen 3.107 N/A ASN 233.A ND2 ASP 158.A O no hydrogen 2.957 N/A LYS 234.A N SER 229.A O no hydrogen 2.986 N/A LYS 234.A NZ ASP 158.A OD2 no hydrogen 3.115 N/A GLY 235.A N TYR 155.A OH no hydrogen 3.060 N/A LEU 239.A N GLY 235.A O no hydrogen 2.901 N/A LEU 240.A N VAL 236.A O no hydrogen 2.811 N/A ASP 241.A N GLN 237.A O no hydrogen 3.073 N/A ALA 242.A N LEU 238.A O no hydrogen 3.199 N/A VAL 243.A N LEU 239.A O no hydrogen 3.014 N/A VAL 244.A N LEU 240.A O no hydrogen 3.487 N/A ASP 245.A N ASP 241.A O no hydrogen 2.896 N/A TYR 246.A N ALA 242.A O no hydrogen 2.660 N/A LEU 247.A N VAL 243.A O no hydrogen 2.820 N/A SER 249.A N ASP 252.A OD2 no hydrogen 3.098 N/A SER 249.A OG ASP 252.A OD2 no hydrogen 3.132 N/A LEU 251.A N SER 249.A OG no hydrogen 3.051 N/A ASP 252.A N SER 249.A O no hydrogen 2.930 N/A GLY 258.A N VAL 266.A O no hydrogen 2.587 N/A THR 259.A N ILE 365.A O no hydrogen 3.204 N/A THR 260.A N GLU 264.A O no hydrogen 3.003 N/A THR 260.A OG1 GLU 264.A OE2 no hydrogen 3.394 N/A GLU 262.A N THR 260.A OG1 no hydrogen 3.091 N/A GLY 263.A N THR 260.A O no hydrogen 2.900 N/A VAL 266.A N GLY 258.A O no hydrogen 2.450 N/A ILE 268.A N ILE 256.A O no hydrogen 2.951 N/A ASP 271.A N HIS 269.A O no hydrogen 2.641 N/A ASN 273.A N ASP 271.A OD1 no hydrogen 3.292 N/A GLY 274.A N ASP 271.A O no hydrogen 2.640 N/A ALA 277.A N SER 299.A O no hydrogen 3.095 N/A ALA 278.A N LEU 356.A O no hydrogen 2.850 N/A LEU 279.A N ARG 296.A O no hydrogen 2.845 N/A ALA 280.A N ASP 354.A O no hydrogen 3.095 N/A PHE 281.A N PHE 294.A O no hydrogen 2.993 N/A LYS 282.A NZ GLU 60.A OE1 no hydrogen 3.365 N/A MET 284.A N LEU 292.A O no hydrogen 2.672 N/A LEU 292.A N MET 284.A O no hydrogen 2.512 N/A THR 293.A N VAL 344.A O no hydrogen 3.172 N/A PHE 294.A N LYS 282.A O no hydrogen 2.835 N/A ILE 295.A N GLY 342.A O no hydrogen 2.911 N/A ARG 296.A N LEU 279.A O no hydrogen 2.708 N/A ARG 296.A NE VAL 297.A O no hydrogen 3.006 N/A ARG 296.A NH1 VAL 67.A O no hydrogen 3.064 N/A ARG 296.A NH1 ASP 69.A OD1 no hydrogen 3.109 N/A VAL 297.A N ASP 340.A O no hydrogen 2.825 N/A TYR 298.A N ALA 277.A O no hydrogen 2.741 N/A TYR 298.A OH ARG 66.A O no hydrogen 2.634 N/A SER 299.A N ALA 277.A O no hydrogen 3.392 N/A SER 299.A OG PRO 275.A O no hydrogen 2.789 N/A GLY 300.A N ASP 271.A O no hydrogen 2.877 N/A THR 301.A OG1 PRO 272.A O no hydrogen 3.047 N/A LEU 302.A N LEU 336.A O no hydrogen 2.686 N/A SER 304.A N GLU 334.A O no hydrogen 3.237 N/A SER 304.A OG ALA 320.A O no hydrogen 3.128 N/A GLY 305.A N ALA 320.A O no hydrogen 2.644 N/A SER 306.A N VAL 319.A O no hydrogen 3.076 N/A SER 306.A OG THR 303.A O no hydrogen 2.664 N/A VAL 308.A N GLU 317.A O no hydrogen 2.996 N/A TYR 309.A N VAL 357.A O no hydrogen 2.987 N/A ASN 310.A N ARG 315.A O no hydrogen 3.123 N/A ASN 310.A ND2 THR 350.A OG1 no hydrogen 2.881 N/A THR 311.A N THR 355.A O no hydrogen 3.313 N/A THR 311.A OG1 THR 355.A O no hydrogen 3.475 N/A THR 311.A OG1 VAL 364.A O no hydrogen 2.891 N/A LYS 313.A N ASN 310.A O no hydrogen 3.133 N/A LYS 313.A NZ ASP 354.A OD1 no hydrogen 3.126 N/A LYS 313.A NZ ASP 354.A OD2 no hydrogen 2.674 N/A ARG 315.A NE LYS 316.A O no hydrogen 3.172 N/A ARG 315.A NH2 LYS 316.A O no hydrogen 3.054 N/A GLU 317.A N VAL 308.A O no hydrogen 2.776 N/A VAL 319.A N SER 306.A O no hydrogen 2.989 N/A ALA 320.A N VAL 345.A O no hydrogen 3.009 N/A LEU 323.A N ALA 343.A O no hydrogen 2.816 N/A ARG 324.A N GLU 331.A O no hydrogen 2.851 N/A ARG 324.A NH1 ASP 340.A OD1 no hydrogen 2.964 N/A ARG 324.A NH2 ASP 340.A OD1 no hydrogen 3.157 N/A ARG 324.A NH2 ASP 340.A OD2 no hydrogen 2.862 N/A HIS 326.A N HIS 329.A O no hydrogen 2.801 N/A HIS 326.A NE2 GLU 331.A OE2 no hydrogen 2.737 N/A ARG 330.A NE ASP 286.A OD2 no hydrogen 3.010 N/A ARG 330.A NH2 ASP 286.A OD2 no hydrogen 2.610 N/A GLU 331.A N ARG 324.A O no hydrogen 2.963 N/A VAL 333.A N LEU 322.A O no hydrogen 2.762 N/A LEU 336.A N LEU 302.A O no hydrogen 2.829 N/A LYS 337.A NZ THR 301.A OG1 no hydrogen 2.936 N/A LYS 337.A NZ GLU 335.A OE2 no hydrogen 3.329 N/A GLY 339.A N VAL 297.A O no hydrogen 2.933 N/A ASP 340.A N LYS 337.A O no hydrogen 2.901 N/A LEU 341.A N ASP 340.A OD1 no hydrogen 2.776 N/A GLY 342.A N ILE 295.A O no hydrogen 3.321 N/A ALA 343.A N LEU 323.A O no hydrogen 2.896 N/A VAL 344.A N THR 293.A O no hydrogen 3.114 N/A VAL 345.A N ARG 321.A O no hydrogen 2.727 N/A GLU 349.A N GLU 317.A OE2 no hydrogen 2.995 N/A THR 350.A OG1 GLU 317.A OE2 no hydrogen 2.322 N/A ILE 351.A N ASP 354.A OD2 no hydrogen 2.884 N/A THR 352.A OG1 PHE 281.A O no hydrogen 3.306 N/A GLY 353.A N ALA 280.A O no hydrogen 2.550 N/A ASP 354.A N ILE 351.A O no hydrogen 3.090 N/A THR 355.A N THR 312.A OG1 no hydrogen 2.788 N/A LEU 356.A N ALA 278.A O no hydrogen 2.920 N/A VAL 357.A N TYR 309.A O no hydrogen 2.901 N/A GLY 358.A N LEU 276.A O no hydrogen 3.085 N/A ARG 363.A NH2 GLU 359.A O no hydrogen 3.253 N/A ILE 365.A N THR 259.A O no hydrogen 2.846 N/A LEU 366.A N THR 355.A OG1 no hydrogen 2.815 N/A SER 368.A OG GLU 370.A OE1 no hydrogen 3.030 N/A VAL 375.A N GLY 420.A O no hydrogen 2.853 N/A ILE 376.A N GLY 420.A O no hydrogen 3.423 N/A ASP 377.A N GLN 447.A O no hydrogen 2.843 N/A VAL 378.A N ILE 418.A O no hydrogen 2.900 N/A ILE 380.A N THR 416.A O no hydrogen 3.005 N/A GLU 381.A N ASN 442.A O no hydrogen 2.968 N/A LYS 383.A N ASP 440.A O no hydrogen 3.130 N/A ALA 386.A N THR 384.A O no hydrogen 2.394 N/A ASP 387.A N THR 384.A OG1 no hydrogen 3.372 N/A GLU 389.A N LYS 385.A O no hydrogen 2.567 N/A LYS 390.A N ALA 386.A O no hydrogen 3.204 N/A LYS 390.A NZ LYS 438.A O no hydrogen 2.993 N/A LEU 391.A N GLN 388.A O no hydrogen 3.115 N/A SER 392.A N GLN 388.A O no hydrogen 3.331 N/A ALA 394.A N LYS 390.A O no hydrogen 3.173 N/A LEU 395.A N LEU 391.A O no hydrogen 2.908 N/A ALA 396.A N SER 392.A O no hydrogen 3.003 N/A ARG 397.A N GLN 393.A O no hydrogen 2.976 N/A LEU 398.A N ALA 394.A O no hydrogen 2.808 N/A ALA 399.A N LEU 395.A O no hydrogen 2.565 N/A GLU 400.A N ARG 397.A O no hydrogen 3.124 N/A ASP 402.A N LEU 398.A O no hydrogen 3.340 N/A THR 404.A N ASP 402.A OD1 no hydrogen 2.758 N/A THR 404.A OG1 ASP 402.A OD1 no hydrogen 2.483 N/A THR 404.A OG1 ASP 402.A OD2 no hydrogen 3.157 N/A THR 404.A OG1 HIS 425.A NE2 no hydrogen 3.335 N/A ARG 406.A N SER 419.A O no hydrogen 3.109 N/A ARG 406.A NH1 PRO 403.A O no hydrogen 3.368 N/A SER 408.A N ILE 417.A O no hydrogen 2.858 N/A HIS 410.A N GLN 415.A O no hydrogen 2.627 N/A THR 413.A OG1 GLN 415.A OE1 no hydrogen 3.230 N/A GLY 414.A N HIS 410.A O no hydrogen 2.745 N/A GLN 415.A N THR 413.A OG1 no hydrogen 2.951 N/A ILE 417.A N SER 408.A O no hydrogen 2.512 N/A ILE 418.A N VAL 378.A O no hydrogen 3.177 N/A SER 419.A N ARG 406.A O no hydrogen 2.745 N/A SER 419.A OG ASP 377.A OD2 no hydrogen 2.797 N/A GLY 420.A N ILE 376.A O no hydrogen 2.896 N/A LEU 426.A N GLY 422.A O no hydrogen 3.198 N/A GLU 427.A N GLU 423.A O no hydrogen 2.847 N/A ILE 428.A N LEU 424.A O no hydrogen 3.002 N/A ILE 429.A N HIS 425.A O no hydrogen 3.114 N/A VAL 430.A N LEU 426.A O no hydrogen 2.809 N/A ASP 431.A N GLU 427.A O no hydrogen 2.936 N/A ARG 432.A N ILE 428.A O no hydrogen 2.744 N/A LEU 433.A N ILE 429.A O no hydrogen 2.921 N/A LEU 433.A N VAL 430.A O no hydrogen 2.921 N/A LYS 434.A N VAL 430.A O no hydrogen 3.221 N/A LYS 434.A N ASP 431.A O no hydrogen 2.871 N/A ARG 435.A N ASP 431.A O no hydrogen 2.994 N/A LYS 438.A N ARG 435.A O no hydrogen 2.827 N/A VAL 439.A N LEU 433.A O no hydrogen 2.944 N/A ASP 440.A N ASP 387.A OD2 no hydrogen 2.578 N/A ASN 442.A N GLU 381.A O no hydrogen 2.906 N/A GLY 444.A N ALA 379.A O no hydrogen 2.742 N/A GLN 447.A N ASP 377.A O no hydrogen 3.120 N/A ALA 449.A N VAL 375.A O no hydrogen 3.005 N/A TYR 450.A N VAL 448.A O no hydrogen 2.694 N/A ARG 451.A N LEU 569.A O no hydrogen 2.957 N/A GLU 452.A N PRO 526.A O no hydrogen 2.526 N/A THR 453.A N VAL 567.A O no hydrogen 3.321 N/A THR 453.A OG1 VAL 528.A O no hydrogen 2.714 N/A THR 453.A OG1 ASP 529.A O no hydrogen 3.288 N/A THR 455.A N GLY 564.A O no hydrogen 2.878 N/A THR 455.A OG1 ASP 565.A O no hydrogen 2.667 N/A VAL 458.A N VAL 481.A O no hydrogen 2.957 N/A VAL 460.A N ILE 479.A O no hydrogen 3.110 N/A GLY 462.A N VAL 477.A O no hydrogen 2.844 N/A LYS 463.A NZ GLU 461.A OE2 no hydrogen 3.489 N/A PHE 464.A N GLY 475.A O no hydrogen 2.703 N/A ARG 466.A N GLN 473.A O no hydrogen 3.056 N/A ARG 471.A N GLY 469.A O no hydrogen 2.833 N/A ARG 471.A NE GLY 472.A O no hydrogen 3.158 N/A ARG 471.A NH2 GLY 472.A O no hydrogen 3.246 N/A ARG 471.A NH2 SER 544.A O no hydrogen 3.545 N/A GLN 473.A N ARG 466.A O no hydrogen 2.718 N/A GLN 473.A NE2 SER 545.A OG no hydrogen 2.382 N/A TYR 474.A N ASP 543.A O no hydrogen 3.218 N/A TYR 474.A OH SER 538.A OG no hydrogen 2.353 N/A GLY 475.A N PHE 464.A O no hydrogen 2.864 N/A HIS 476.A ND1 SER 538.A OG no hydrogen 2.672 N/A VAL 477.A N GLY 462.A O no hydrogen 2.876 N/A LYS 478.A N ASP 536.A O no hydrogen 3.001 N/A ILE 479.A N VAL 460.A O no hydrogen 3.085 N/A LYS 480.A N THR 533.A O no hydrogen 2.689 N/A LYS 480.A NZ ASP 459.A OD1 no hydrogen 3.149 N/A VAL 481.A N VAL 458.A O no hydrogen 2.916 N/A GLU 482.A N LYS 531.A O no hydrogen 2.943 N/A LEU 484.A N ASP 529.A O no hydrogen 2.896 N/A ARG 486.A NH1 ASP 529.A OD1 no hydrogen 2.588 N/A GLY 487.A N ASP 529.A OD1 no hydrogen 2.731 N/A SER 488.A N PRO 485.A O no hydrogen 2.796 N/A SER 488.A OG PRO 485.A O no hydrogen 2.832 N/A GLY 489.A N ASP 529.A OD2 no hydrogen 3.303 N/A GLU 491.A N ILE 530.A O no hydrogen 3.411 N/A VAL 493.A N VAL 532.A O no hydrogen 2.790 N/A ALA 495.A N LEU 534.A O no hydrogen 2.790 N/A ILE 496.A N ASN 494.A OD1 no hydrogen 2.956 N/A TYR 505.A N PRO 502.A O no hydrogen 2.838 N/A ILE 506.A N LYS 503.A O no hydrogen 3.173 N/A VAL 509.A N TYR 505.A O no hydrogen 2.954 N/A VAL 509.A N ILE 506.A O no hydrogen 3.185 N/A GLN 510.A N ILE 506.A O no hydrogen 3.267 N/A GLN 510.A N PRO 507.A O no hydrogen 3.017 N/A GLN 510.A NE2 ILE 506.A O no hydrogen 3.601 N/A LYS 511.A N PRO 507.A O no hydrogen 2.941 N/A GLY 512.A N ALA 508.A O no hydrogen 3.270 N/A ILE 513.A N VAL 509.A O no hydrogen 3.252 N/A GLU 514.A N GLN 510.A O no hydrogen 2.841 N/A GLU 515.A N LYS 511.A O no hydrogen 3.208 N/A ALA 516.A N GLY 512.A O no hydrogen 3.093 N/A GLN 518.A N GLU 515.A O no hydrogen 3.358 N/A SER 519.A OG GLY 520.A O no hydrogen 3.373 N/A GLY 520.A N PHE 525.A O no hydrogen 2.459 N/A ILE 523.A N GLU 452.A OE2 no hydrogen 3.136 N/A PHE 525.A N GLU 452.A OE2 no hydrogen 2.802 N/A VAL 527.A N MET 517.A O no hydrogen 2.676 N/A VAL 528.A N GLU 452.A O no hydrogen 2.782 N/A ILE 530.A N GLY 489.A O no hydrogen 3.091 N/A LYS 531.A N GLU 482.A O no hydrogen 2.764 N/A VAL 532.A N GLU 491.A O no hydrogen 2.810 N/A THR 533.A N LYS 480.A O no hydrogen 2.764 N/A LEU 534.A N VAL 493.A O no hydrogen 3.088 N/A TYR 535.A N LYS 478.A O no hydrogen 3.083 N/A TYR 535.A OH ASP 459.A OD2 no hydrogen 2.379 N/A ASP 536.A N LYS 478.A O no hydrogen 3.378 N/A GLY 537.A N ASP 536.A OD1 no hydrogen 2.656 N/A SER 538.A N HIS 476.A O no hydrogen 3.016 N/A SER 538.A OG TYR 474.A OH no hydrogen 2.353 N/A SER 538.A OG HIS 476.A ND1 no hydrogen 2.672 N/A ALA 540.A N SER 544.A OG no hydrogen 2.724 N/A SER 544.A N ALA 540.A O no hydrogen 3.200 N/A SER 544.A OG TYR 474.A O no hydrogen 3.032 N/A SER 544.A OG ALA 540.A O no hydrogen 3.337 N/A ALA 548.A N SER 545.A OG no hydrogen 3.080 N/A PHE 549.A N SER 545.A O no hydrogen 3.257 N/A LYS 550.A N GLU 546.A O no hydrogen 2.883 N/A LYS 550.A NZ GLU 515.A OE1 no hydrogen 3.326 N/A ILE 551.A N MET 547.A O no hydrogen 2.902 N/A ALA 552.A N ALA 548.A O no hydrogen 2.754 N/A GLY 553.A N PHE 549.A O no hydrogen 2.661 N/A SER 554.A N LYS 550.A O no hydrogen 3.022 N/A MET 555.A N ILE 551.A O no hydrogen 2.814 N/A ALA 556.A N ALA 552.A O no hydrogen 2.993 N/A ILE 557.A N GLY 553.A O no hydrogen 3.106 N/A LYS 558.A N SER 554.A O no hydrogen 3.092 N/A LYS 558.A NZ ALA 516.A O no hydrogen 3.558 N/A GLU 559.A N MET 555.A O no hydrogen 2.932 N/A ALA 560.A N ALA 556.A O no hydrogen 2.765 N/A VAL 561.A N ILE 557.A O no hydrogen 2.908 N/A GLN 562.A N LYS 558.A O no hydrogen 3.052 N/A LYS 563.A N GLU 559.A O no hydrogen 3.045 N/A GLY 564.A N ALA 560.A O no hydrogen 3.023 N/A VAL 567.A N THR 453.A O no hydrogen 2.780 N/A ILE 568.A N GLN 651.A OE1 no hydrogen 3.186 N/A LEU 569.A N ARG 451.A O no hydrogen 2.764 N/A GLU 570.A N GLN 644.A O no hydrogen 2.640 N/A ILE 572.A N HIS 642.A O no hydrogen 2.755 N/A MET 573.A N VAL 614.A O no hydrogen 2.794 N/A ARG 574.A N PHE 639.A O no hydrogen 2.469 N/A VAL 575.A N ALA 612.A O no hydrogen 2.808 N/A GLU 576.A N VAL 637.A O no hydrogen 3.151 N/A VAL 577.A N ILE 610.A O no hydrogen 2.747 N/A THR 579.A N GLN 608.A O no hydrogen 2.824 N/A THR 579.A OG1 PRO 580.A O no hydrogen 3.189 N/A THR 579.A OG1 TYR 583.A O no hydrogen 3.092 N/A VAL 587.A N MET 584.A O no hydrogen 3.183 N/A ILE 588.A N MET 584.A O no hydrogen 3.222 N/A GLY 589.A N GLY 585.A O no hydrogen 3.269 N/A LEU 591.A N VAL 587.A O no hydrogen 3.342 N/A ALA 593.A N GLY 589.A O no hydrogen 3.078 N/A ALA 593.A N ASP 590.A O no hydrogen 2.887 N/A ARG 594.A N ASP 590.A O no hydrogen 2.981 N/A ARG 594.A NH1 ASP 590.A OD2 no hydrogen 2.621 N/A ARG 595.A N ASN 592.A O no hydrogen 3.242 N/A ARG 595.A NE GLU 618.A OE1 no hydrogen 2.950 N/A ARG 595.A NH1 GLU 570.A OE2 no hydrogen 2.940 N/A ARG 595.A NH2 GLU 570.A OE1 no hydrogen 3.294 N/A ARG 595.A NH2 GLU 570.A OE2 no hydrogen 3.326 N/A ARG 595.A NH2 GLU 618.A OE1 no hydrogen 3.487 N/A GLY 596.A N LEU 591.A O no hydrogen 2.788 N/A GLN 597.A N PHE 613.A O no hydrogen 2.735 N/A LEU 599.A N ARG 611.A O no hydrogen 2.775 N/A GLU 602.A N VAL 609.A O no hydrogen 3.286 N/A ARG 604.A N ALA 607.A O no hydrogen 2.820 N/A ASN 606.A ND2 GLU 122.A O no hydrogen 3.451 N/A ASN 606.A ND2 ARG 123.A O no hydrogen 3.208 N/A ALA 607.A N ARG 604.A O no hydrogen 2.895 N/A GLN 608.A N THR 579.A O no hydrogen 2.730 N/A ILE 610.A N VAL 577.A O no hydrogen 2.898 N/A ARG 611.A N GLY 600.A O no hydrogen 2.901 N/A ARG 611.A NH1 LEU 599.A O no hydrogen 3.434 N/A ALA 612.A N VAL 575.A O no hydrogen 2.928 N/A PHE 613.A N GLN 597.A O no hydrogen 2.824 N/A VAL 614.A N MET 573.A O no hydrogen 3.026 N/A LEU 616.A N PRO 571.A O no hydrogen 3.116 N/A GLU 618.A N PRO 615.A O no hydrogen 2.728 N/A MET 619.A N LEU 616.A O no hydrogen 2.760 N/A TYR 622.A N MET 619.A O no hydrogen 3.073 N/A THR 624.A OG1 GLY 621.A O no hydrogen 2.887 N/A THR 624.A OG1 ASP 625.A OD2 no hydrogen 3.245 N/A ASP 625.A N GLY 621.A O no hydrogen 3.325 N/A LEU 626.A N TYR 622.A O no hydrogen 2.709 N/A ARG 627.A N ALA 623.A O no hydrogen 3.329 N/A SER 628.A N THR 624.A O no hydrogen 2.884 N/A LYS 629.A N LEU 626.A O no hydrogen 2.533 N/A THR 630.A N LEU 626.A O no hydrogen 2.839 N/A THR 630.A OG1 LEU 626.A O no hydrogen 3.219 N/A GLY 632.A N ARG 627.A O no hydrogen 2.757 N/A ARG 633.A N THR 630.A O no hydrogen 2.771 N/A ARG 633.A NE GLU 86.A OE1 no hydrogen 3.366 N/A GLY 634.A N THR 630.A OG1 no hydrogen 2.754 N/A SER 635.A N THR 578.A O no hydrogen 3.082 N/A VAL 637.A N GLU 576.A O no hydrogen 3.002 N/A PHE 639.A N ARG 574.A O no hydrogen 2.814 N/A ASP 641.A N ILE 572.A O no hydrogen 2.926 N/A HIS 642.A ND1 ASP 641.A OD1 no hydrogen 2.978 N/A TYR 643.A OH ALA 449.A O no hydrogen 2.595 N/A GLN 644.A N GLU 570.A O no hydrogen 2.711 N/A GLN 644.A NE2 TYR 643.A O no hydrogen 3.378 N/A VAL 646.A N ILE 568.A O no hydrogen 2.965 N/A GLN 651.A N PRO 647.A O no hydrogen 2.961 N/A GLN 651.A NE2 PRO 566.A O no hydrogen 3.403 N/A GLU 652.A N LYS 648.A O no hydrogen 3.340 N/A LYS 653.A N VAL 650.A O no hydrogen 3.212 N/A LEU 654.A N VAL 650.A O no hydrogen 3.139 N/A ILE 655.A N GLN 651.A O no hydrogen 3.118 N/A