Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1skr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 49.A OE2 no hydrogen 2.842 N/A ILE 2.A N LEU 55.A O no hydrogen 2.900 N/A VAL 3.A N TYR 24.A O no hydrogen 2.894 N/A SER 4.A N VAL 57.A O no hydrogen 2.832 N/A SER 4.A OG VAL 22.A O no hydrogen 2.749 N/A SER 4.A OG TYR 42.A OH no hydrogen 2.677 N/A ASP 5.A N VAL 22.A O no hydrogen 3.362 N/A ILE 6.A N ASP 65.A OD2 no hydrogen 3.302 N/A GLU 7.A N CYS 20.A O no hydrogen 2.761 N/A ASN 9.A N LYS 17.A O no hydrogen 3.107 N/A ASN 9.A ND2 THR 16.A OG1 no hydrogen 2.668 N/A SER 14.A N LEU 11.A O no hydrogen 3.067 N/A THR 16.A N ASN 9.A OD1 no hydrogen 2.783 N/A LYS 17.A N ASN 9.A OD1 no hydrogen 2.986 N/A PHE 18.A N GLN 76.A OE1 no hydrogen 3.080 N/A HIS 19.A N GLU 7.A O no hydrogen 2.882 N/A HIS 19.A NE2 TRP 154.A O no hydrogen 2.778 N/A CYS 20.A N GLU 7.A O no hydrogen 3.243 N/A CYS 20.A SG ASN 165.A OD1 no hydrogen 3.433 N/A GLY 21.A N TYR 34.A O no hydrogen 2.947 N/A VAL 22.A N ASP 5.A O no hydrogen 3.079 N/A ILE 23.A N VAL 32.A O no hydrogen 3.108 N/A TYR 24.A N VAL 3.A O no hydrogen 2.839 N/A ASP 25.A N GLU 30.A O no hydrogen 3.163 N/A TYR 26.A N MET 1.A O no hydrogen 3.087 N/A TYR 26.A OH GLU 177.A OE2 no hydrogen 3.162 N/A SER 27.A N ASP 25.A OD1 no hydrogen 3.004 N/A SER 27.A OG ASP 25.A OD1 no hydrogen 2.696 N/A THR 28.A N ASP 25.A O no hydrogen 3.287 N/A THR 28.A OG1 ASP 25.A O no hydrogen 3.359 N/A ALA 29.A N ASP 25.A O no hydrogen 2.554 N/A GLU 30.A N THR 28.A OG1 no hydrogen 3.390 N/A VAL 32.A N ILE 23.A O no hydrogen 3.008 N/A TYR 34.A N GLY 21.A O no hydrogen 2.825 N/A ARG 35.A N ASP 38.A OD2 no hydrogen 2.783 N/A ARG 35.A NE GLU 159.A OE2 no hydrogen 3.206 N/A ARG 35.A NH2 GLU 159.A OE1 no hydrogen 3.527 N/A ASP 38.A N ARG 35.A O no hydrogen 2.671 N/A TYR 42.A N ASP 38.A O no hydrogen 2.768 N/A TYR 42.A OH SER 4.A OG no hydrogen 2.677 N/A LEU 43.A N PHE 39.A O no hydrogen 3.067 N/A ASP 44.A N GLY 40.A O no hydrogen 3.021 N/A ALA 45.A N ALA 41.A O no hydrogen 3.010 N/A LEU 46.A N TYR 42.A O no hydrogen 3.273 N/A GLU 47.A N LEU 43.A O no hydrogen 2.965 N/A ALA 48.A N ASP 44.A O no hydrogen 2.816 N/A GLU 49.A N ALA 45.A O no hydrogen 3.247 N/A VAL 50.A N LEU 46.A O no hydrogen 3.203 N/A ALA 51.A N GLU 47.A O no hydrogen 2.863 N/A ARG 52.A N ALA 48.A O no hydrogen 3.149 N/A ARG 52.A N GLU 49.A O no hydrogen 3.208 N/A GLY 53.A N VAL 50.A O no hydrogen 2.978 N/A GLY 54.A N GLU 49.A O no hydrogen 2.954 N/A LEU 55.A N GLU 49.A OE2 no hydrogen 3.037 N/A ILE 56.A N ASN 87.A O no hydrogen 2.839 N/A VAL 57.A N ILE 2.A O no hydrogen 2.767 N/A PHE 58.A N ILE 89.A O no hydrogen 2.968 N/A HIS 59.A ND1 THR 91.A OG1 no hydrogen 2.660 N/A ASN 60.A N ASP 90.A OD1 no hydrogen 2.799 N/A HIS 62.A N ASP 90.A OD2 no hydrogen 3.049 N/A LYS 63.A NZ GLU 222.A OE1 no hydrogen 3.441 N/A LYS 63.A NZ GLU 222.A OE2 no hydrogen 2.825 N/A TYR 64.A N ASN 60.A O no hydrogen 3.054 N/A TYR 64.A OH ALA 10.A O no hydrogen 2.928 N/A VAL 66.A N GLY 61.A O no hydrogen 2.969 N/A ALA 68.A N TYR 64.A O no hydrogen 2.826 N/A LEU 69.A N ASP 65.A O no hydrogen 2.788 N/A THR 70.A N VAL 66.A O no hydrogen 3.158 N/A THR 70.A OG1 VAL 66.A O no hydrogen 3.510 N/A THR 70.A OG1 PHE 81.A O no hydrogen 2.583 N/A LYS 71.A N PRO 67.A O no hydrogen 3.109 N/A LYS 71.A NZ LEU 12.A O no hydrogen 2.814 N/A LEU 72.A N ALA 68.A O no hydrogen 2.795 N/A ALA 73.A N LEU 69.A O no hydrogen 2.863 N/A LYS 74.A N THR 70.A O no hydrogen 3.426 N/A LYS 74.A NZ ASN 78.A OD1 no hydrogen 3.476 N/A LYS 74.A NZ GLU 80.A OE2 no hydrogen 2.775 N/A LEU 75.A N LYS 71.A O no hydrogen 3.092 N/A GLN 76.A N LEU 72.A O no hydrogen 2.891 N/A LEU 77.A N ALA 73.A O no hydrogen 3.205 N/A ARG 79.A N ALA 73.A O no hydrogen 2.778 N/A ARG 79.A NH1 ASP 44.A OD1 no hydrogen 3.079 N/A ARG 79.A NH2 ASP 44.A OD1 no hydrogen 3.009 N/A HIS 82.A NE2 GLU 80.A OE1 no hydrogen 2.885 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.714 N/A ASN 87.A N PRO 84.A O no hydrogen 2.991 N/A ASN 87.A ND2 GLY 54.A O no hydrogen 3.064 N/A CYS 88.A N ARG 85.A O no hydrogen 3.179 N/A CYS 88.A SG PRO 84.A O no hydrogen 3.495 N/A ILE 89.A N ILE 56.A O no hydrogen 2.946 N/A ASP 90.A N HIS 212.A NE2 no hydrogen 2.906 N/A THR 91.A N PHE 58.A O no hydrogen 2.905 N/A THR 91.A OG1 PHE 58.A O no hydrogen 3.426 N/A THR 91.A OG1 HIS 59.A ND1 no hydrogen 2.660 N/A LEU 92.A N ASP 90.A OD1 no hydrogen 2.746 N/A VAL 93.A N ASP 90.A OD1 no hydrogen 3.227 N/A LEU 94.A N ASP 90.A O no hydrogen 2.948 N/A SER 95.A N THR 91.A O no hydrogen 2.872 N/A SER 95.A OG THR 91.A O no hydrogen 3.478 N/A SER 95.A OG LEU 92.A O no hydrogen 3.188 N/A ARG 96.A N LEU 92.A O no hydrogen 3.013 N/A ARG 96.A NE ASP 104.A OD2 no hydrogen 2.855 N/A ARG 96.A NH2 ASP 104.A OD1 no hydrogen 3.001 N/A ARG 96.A NH2 ASP 104.A OD2 no hydrogen 3.462 N/A ARG 96.A NH2 ASP 106.A OD1 no hydrogen 3.054 N/A LEU 97.A N VAL 93.A O no hydrogen 3.219 N/A LEU 97.A N LEU 94.A O no hydrogen 3.076 N/A ILE 98.A N LEU 94.A O no hydrogen 2.859 N/A HIS 99.A N SER 95.A O no hydrogen 2.817 N/A LEU 102.A N HIS 99.A O no hydrogen 2.969 N/A ASP 106.A N ASP 104.A OD1 no hydrogen 2.818 N/A GLY 108.A N THR 105.A OG1 no hydrogen 3.045 N/A LEU 109.A N ASP 106.A O no hydrogen 3.326 N/A LEU 110.A N THR 105.A O no hydrogen 3.004 N/A LYS 114.A N ARG 111.A O no hydrogen 3.013 N/A LEU 115.A N SER 112.A O no hydrogen 3.091 N/A TRP 122.A N GLU 120.A OE2 no hydrogen 2.924 N/A GLY 123.A N GLU 120.A OE1 no hydrogen 2.613 N/A TYR 124.A N GLU 120.A O no hydrogen 2.853 N/A ARG 125.A N ALA 121.A O no hydrogen 2.955 N/A ARG 125.A NH2 GLU 132.A OE1 no hydrogen 3.293 N/A LEU 126.A N TRP 122.A O no hydrogen 3.056 N/A GLY 127.A N GLY 123.A O no hydrogen 2.984 N/A GLU 128.A N TYR 124.A O no hydrogen 3.121 N/A GLU 128.A N ARG 125.A O no hydrogen 3.111 N/A MET 129.A N LEU 126.A O no hydrogen 3.313 N/A GLU 132.A N GLU 128.A O no hydrogen 2.990 N/A TYR 133.A N MET 129.A O no hydrogen 2.866 N/A TYR 133.A OH GLU 153.A O no hydrogen 2.566 N/A LYS 134.A N LYS 130.A O no hydrogen 2.926 N/A ASP 135.A N GLY 131.A O no hydrogen 3.166 N/A ASP 136.A N GLU 132.A O no hydrogen 3.032 N/A PHE 137.A N TYR 133.A O no hydrogen 2.953 N/A LYS 138.A N LYS 134.A O no hydrogen 3.032 N/A ARG 139.A N ASP 135.A O no hydrogen 2.873 N/A MET 140.A N ASP 136.A O no hydrogen 3.005 N/A LEU 141.A N PHE 137.A O no hydrogen 3.004 N/A GLU 142.A N LYS 138.A O no hydrogen 2.950 N/A GLU 143.A N ARG 139.A O no hydrogen 3.026 N/A GLN 144.A N LEU 141.A O no hydrogen 2.780 N/A GLY 145.A N GLU 142.A O no hydrogen 3.484 N/A GLU 146.A N LEU 141.A O no hydrogen 3.258 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.713 N/A TYR 148.A OH ASP 150.A O no hydrogen 2.633 N/A TYR 148.A OH GLU 153.A OE1 no hydrogen 2.554 N/A TYR 148.A OH GLU 153.A OE2 no hydrogen 3.244 N/A MET 152.A N VAL 149.A O no hydrogen 3.165 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.595 N/A TRP 154.A N GLY 151.A O no hydrogen 3.384 N/A TRP 155.A N MET 152.A O no hydrogen 2.981 N/A ASN 158.A ND2 TYR 133.A OH no hydrogen 2.821 N/A ASN 158.A ND2 ASN 156.A O no hydrogen 3.675 N/A GLU 160.A N ASN 158.A OD1 no hydrogen 2.696 N/A MET 161.A N ASN 158.A OD1 no hydrogen 2.880 N/A MET 162.A N ASN 158.A O no hydrogen 3.141 N/A ASP 163.A N GLU 159.A O no hydrogen 3.112 N/A TYR 164.A N GLU 160.A O no hydrogen 3.150 N/A TYR 164.A OH ASP 136.A OD1 no hydrogen 3.031 N/A TYR 164.A OH ASP 136.A OD2 no hydrogen 3.198 N/A ASN 165.A N MET 161.A O no hydrogen 2.918 N/A ASN 165.A ND2 ASP 5.A O no hydrogen 3.188 N/A VAL 166.A N MET 162.A O no hydrogen 3.048 N/A GLN 167.A N ASP 163.A O no hydrogen 2.988 N/A ASP 168.A N TYR 164.A O no hydrogen 2.903 N/A ASP 168.A N ASN 165.A O no hydrogen 3.042 N/A VAL 169.A N ASN 165.A O no hydrogen 3.397 N/A VAL 170.A N VAL 166.A O no hydrogen 3.197 N/A VAL 171.A N GLN 167.A O no hydrogen 3.032 N/A THR 172.A N ASP 168.A O no hydrogen 2.682 N/A THR 172.A OG1 ASP 168.A O no hydrogen 2.548 N/A LYS 173.A N VAL 169.A O no hydrogen 2.859 N/A LYS 173.A NZ GLU 177.A OE1 no hydrogen 3.524 N/A LYS 173.A NZ GLU 177.A OE2 no hydrogen 2.906 N/A ALA 174.A N VAL 170.A O no hydrogen 3.138 N/A LEU 175.A N VAL 171.A O no hydrogen 2.876 N/A LEU 176.A N THR 172.A O no hydrogen 2.879 N/A GLU 177.A N LYS 173.A O no hydrogen 2.991 N/A LYS 178.A N ALA 174.A O no hydrogen 3.033 N/A LYS 178.A NZ GLU 120.A OE2 no hydrogen 2.659 N/A LEU 179.A N LEU 175.A O no hydrogen 2.881 N/A LEU 180.A N LEU 176.A O no hydrogen 2.748 N/A SER 181.A N LYS 178.A O no hydrogen 3.335 N/A SER 181.A OG LYS 178.A O no hydrogen 2.658 N/A ASP 182.A N LEU 179.A O no hydrogen 3.314 N/A HIS 184.A N ASP 182.A OD1 no hydrogen 3.091 N/A HIS 184.A NE2 GLY 563.A O no hydrogen 2.737 N/A TYR 185.A N ASP 182.A O no hydrogen 3.020 N/A PHE 186.A N ASP 182.A O no hydrogen 2.957 N/A ILE 190.A N PRO 187.A O no hydrogen 3.246 N/A THR 193.A N ASP 191.A OD1 no hydrogen 3.097 N/A THR 193.A OG1 ASP 191.A OD1 no hydrogen 2.657 N/A ASP 194.A N ASP 191.A O no hydrogen 3.049 N/A TYR 197.A N GLY 53.A O no hydrogen 2.936 N/A PHE 200.A N GLY 196.A O no hydrogen 3.109 N/A TRP 201.A N TYR 197.A O no hydrogen 3.211 N/A TRP 201.A NE1 GLU 86.A O no hydrogen 2.861 N/A SER 202.A N THR 198.A O no hydrogen 3.161 N/A SER 202.A OG THR 198.A O no hydrogen 2.787 N/A SER 202.A OG THR 199.A O no hydrogen 3.412 N/A GLU 203.A N THR 199.A O no hydrogen 2.864 N/A SER 204.A OG PHE 200.A O no hydrogen 2.788 N/A SER 204.A OG TRP 201.A O no hydrogen 3.421 N/A LEU 205.A N TYR 185.A O no hydrogen 3.117 N/A VAL 208.A N LEU 205.A O no hydrogen 2.990 N/A ILE 210.A N GLU 206.A O no hydrogen 3.154 N/A GLU 211.A N ALA 207.A O no hydrogen 3.055 N/A HIS 212.A N VAL 208.A O no hydrogen 3.367 N/A HIS 212.A ND1 VAL 208.A O no hydrogen 2.936 N/A ARG 213.A N ASP 209.A O no hydrogen 3.021 N/A ARG 213.A NE ASP 209.A OD1 no hydrogen 3.199 N/A ARG 213.A NE ASP 209.A OD2 no hydrogen 3.354 N/A ALA 214.A N ILE 210.A O no hydrogen 2.879 N/A ALA 215.A N GLU 211.A O no hydrogen 2.913 N/A TRP 216.A N HIS 212.A O no hydrogen 3.099 N/A LEU 217.A N ARG 213.A O no hydrogen 3.066 N/A LEU 218.A N ALA 214.A O no hydrogen 2.895 N/A ALA 219.A N ALA 215.A O no hydrogen 2.921 N/A LYS 220.A N TRP 216.A O no hydrogen 3.266 N/A LYS 220.A NZ HIS 605.A O no hydrogen 3.003 N/A GLN 221.A N LEU 217.A O no hydrogen 3.012 N/A GLU 222.A N LEU 218.A O no hydrogen 3.008 N/A ARG 223.A N ALA 219.A O no hydrogen 3.124 N/A ASN 224.A N LYS 220.A O no hydrogen 2.855 N/A ASN 224.A ND2 HIS 605.A NE2 no hydrogen 3.099 N/A ASN 224.A ND2 TYR 613.A O no hydrogen 2.924 N/A GLY 225.A N GLN 221.A O no hydrogen 2.905 N/A PHE 226.A N ILE 392.A O no hydrogen 2.825 N/A PHE 228.A N GLY 390.A O no hydrogen 3.036 N/A ASP 229.A N ALA 430.A O no hydrogen 2.798 N/A THR 230.A N PHE 228.A O no hydrogen 3.126 N/A LYS 231.A NZ GLU 234.A OE1 no hydrogen 3.458 N/A ALA 232.A N ASP 229.A OD1 no hydrogen 3.266 N/A ILE 233.A N ASP 229.A O no hydrogen 3.279 N/A GLU 234.A N THR 230.A O no hydrogen 2.990 N/A GLU 235.A N LYS 231.A O no hydrogen 3.098 N/A LEU 236.A N ALA 232.A O no hydrogen 2.996 N/A TYR 237.A N ILE 233.A O no hydrogen 2.879 N/A TYR 237.A OH GLU 377.A OE2 no hydrogen 2.589 N/A VAL 238.A N GLU 234.A O no hydrogen 3.148 N/A GLU 239.A N GLU 235.A O no hydrogen 3.122 N/A LEU 240.A N LEU 236.A O no hydrogen 2.941 N/A ALA 241.A N TYR 237.A O no hydrogen 2.850 N/A ALA 242.A N VAL 238.A O no hydrogen 3.138 N/A ARG 243.A N GLU 239.A O no hydrogen 3.294 N/A ARG 243.A NE GLU 364.A OE2 no hydrogen 2.732 N/A ARG 243.A NH2 GLU 364.A OE1 no hydrogen 2.863 N/A ARG 243.A NH2 GLU 364.A OE2 no hydrogen 3.258 N/A ARG 244.A N LEU 240.A O no hydrogen 2.890 N/A ARG 244.A NH1 GLN 369.A OE1 no hydrogen 2.706 N/A ARG 244.A NH1 GLU 377.A OE1 no hydrogen 3.113 N/A ARG 244.A NH2 GLU 377.A OE2 no hydrogen 3.007 N/A SER 245.A N ALA 241.A O no hydrogen 3.001 N/A SER 245.A OG ALA 241.A O no hydrogen 3.191 N/A GLU 246.A N ALA 242.A O no hydrogen 3.004 N/A LEU 247.A N ARG 243.A O no hydrogen 3.048 N/A LEU 248.A N ARG 244.A O no hydrogen 2.875 N/A ARG 249.A N SER 245.A O no hydrogen 2.816 N/A ARG 249.A NE GLU 246.A OE1 no hydrogen 3.033 N/A ARG 249.A NH2 GLU 246.A OE2 no hydrogen 2.636 N/A LYS 250.A N GLU 246.A O no hydrogen 3.018 N/A LEU 251.A N LEU 247.A O no hydrogen 2.929 N/A THR 252.A N LEU 248.A O no hydrogen 2.741 N/A THR 252.A OG1 LEU 248.A O no hydrogen 2.711 N/A THR 252.A OG1 ARG 249.A O no hydrogen 3.269 N/A GLU 253.A N LYS 250.A O no hydrogen 3.281 N/A THR 254.A N LYS 250.A O no hydrogen 3.133 N/A THR 254.A OG1 LYS 250.A O no hydrogen 3.244 N/A THR 254.A OG1 GLU 354.A OE2 no hydrogen 2.896 N/A PHE 255.A N LEU 251.A O no hydrogen 2.780 N/A SER 257.A OG HIS 307.A NE2 no hydrogen 2.625 N/A TRP 258.A N VAL 308.A O no hydrogen 3.106 N/A GLN 260.A N GLU 306.A O no hydrogen 3.118 N/A GLN 260.A NE2 GLU 306.A OE2 no hydrogen 3.442 N/A LYS 262.A N PRO 304.A O no hydrogen 3.000 N/A THR 265.A N ILE 283.A O no hydrogen 3.296 N/A GLU 266.A N ILE 283.A O no hydrogen 2.823 N/A HIS 270.A N LYS 275.A O no hydrogen 3.177 N/A LEU 277.A N PHE 268.A O no hydrogen 2.994 N/A TYR 280.A N LEU 277.A O no hydrogen 2.773 N/A ARG 282.A NH2 PRO 278.A O no hydrogen 3.553 N/A ILE 283.A N GLU 266.A O no hydrogen 2.824 N/A LYS 284.A N TYR 302.A O no hydrogen 3.085 N/A THR 285.A OG1 GLU 266.A OE1 no hydrogen 3.109 N/A THR 285.A OG1 GLU 266.A OE2 no hydrogen 2.813 N/A GLY 290.A N ASP 292.A OD1 no hydrogen 2.956 N/A ARG 294.A N ASP 292.A OD2 no hydrogen 3.047 N/A GLU 295.A N GLU 295.A OE1 no hydrogen 2.383 N/A ALA 298.A N GLY 289.A O no hydrogen 2.732 N/A GLY 299.A N PRO 286.A O no hydrogen 2.989 N/A ALA 300.A N VAL 297.A O no hydrogen 2.699 N/A TYR 302.A N LYS 284.A O no hydrogen 3.230 N/A GLU 306.A N GLN 260.A O no hydrogen 2.931 N/A HIS 307.A NE2 SER 257.A OG no hydrogen 2.625 N/A VAL 308.A N TRP 258.A O no hydrogen 2.751 N/A ASN 311.A N HIS 317.A ND1 no hydrogen 3.079 N/A SER 313.A N ASN 311.A OD1 no hydrogen 2.633 N/A SER 314.A N ASN 311.A O no hydrogen 2.896 N/A ARG 315.A NH1 VAL 340.A O no hydrogen 2.893 N/A HIS 317.A N SER 314.A OG no hydrogen 3.047 N/A ILE 318.A N SER 314.A O no hydrogen 3.012 N/A GLN 319.A N ARG 315.A O no hydrogen 2.924 N/A GLN 319.A NE2 ASP 316.A O no hydrogen 2.912 N/A LYS 320.A N ASP 316.A O no hydrogen 2.949 N/A LYS 320.A NZ GLU 324.A OE2 no hydrogen 3.375 N/A LYS 321.A N HIS 317.A O no hydrogen 2.966 N/A LYS 321.A NZ GLY 256.A O no hydrogen 2.946 N/A LEU 322.A N ILE 318.A O no hydrogen 2.967 N/A GLN 323.A N GLN 319.A O no hydrogen 3.225 N/A GLN 323.A NE2 GLN 319.A OE1 no hydrogen 2.584 N/A GLU 324.A N LYS 320.A O no hydrogen 3.193 N/A ALA 325.A N LEU 322.A O no hydrogen 3.094 N/A GLY 326.A N GLN 323.A O no hydrogen 2.925 N/A TRP 327.A N LEU 322.A O no hydrogen 2.935 N/A THR 333.A N ALA 337.A O no hydrogen 2.753 N/A THR 333.A OG1 ALA 337.A O no hydrogen 3.098 N/A GLY 336.A N THR 333.A O no hydrogen 3.121 N/A VAL 339.A N LYS 331.A O no hydrogen 2.877 N/A VAL 344.A N ASP 341.A OD1 no hydrogen 2.833 N/A LEU 345.A N ASP 341.A O no hydrogen 2.907 N/A GLU 346.A N ASP 342.A O no hydrogen 2.882 N/A GLY 347.A N VAL 344.A O no hydrogen 2.801 N/A VAL 348.A N LEU 345.A O no hydrogen 3.100 N/A ARG 349.A NH1 GLU 346.A O no hydrogen 3.397 N/A ARG 349.A NH1 VAL 348.A O no hydrogen 2.745 N/A VAL 350.A N GLN 356.A OE1 no hydrogen 2.688 N/A LYS 355.A N ASP 352.A OD1 no hydrogen 3.290 N/A GLN 356.A N ASP 352.A O no hydrogen 2.972 N/A GLN 356.A NE2 VAL 348.A O no hydrogen 3.163 N/A ALA 357.A N PRO 353.A O no hydrogen 2.969 N/A ALA 358.A N GLU 354.A O no hydrogen 3.005 N/A ILE 359.A N GLN 356.A O no hydrogen 3.043 N/A ASP 360.A N ALA 357.A O no hydrogen 2.963 N/A LEU 361.A N ALA 357.A O no hydrogen 3.478 N/A ILE 362.A N ALA 358.A O no hydrogen 2.944 N/A LYS 363.A N ILE 359.A O no hydrogen 3.009 N/A LYS 363.A NZ ASP 360.A OD1 no hydrogen 2.535 N/A GLU 364.A N ASP 360.A O no hydrogen 2.894 N/A TYR 365.A N LEU 361.A O no hydrogen 2.821 N/A LEU 366.A N ILE 362.A O no hydrogen 2.992 N/A MET 367.A N LYS 363.A O no hydrogen 3.162 N/A ILE 368.A N GLU 364.A O no hydrogen 2.870 N/A GLN 369.A N TYR 365.A O no hydrogen 2.891 N/A LYS 370.A N LEU 366.A O no hydrogen 2.981 N/A ARG 371.A N MET 367.A O no hydrogen 3.113 N/A ARG 371.A NE PRO 422.A O no hydrogen 2.958 N/A ARG 371.A NH2 PRO 422.A O no hydrogen 3.242 N/A ILE 372.A N ILE 368.A O no hydrogen 2.947 N/A GLY 373.A N GLN 369.A O no hydrogen 2.823 N/A GLN 374.A N LYS 370.A O no hydrogen 3.262 N/A GLN 374.A NE2 GLN 415.A O no hydrogen 2.999 N/A SER 375.A N ARG 371.A O no hydrogen 2.942 N/A SER 375.A OG ARG 371.A O no hydrogen 2.632 N/A ALA 376.A N ILE 372.A O no hydrogen 2.826 N/A GLU 377.A N ILE 372.A O no hydrogen 2.846 N/A GLY 378.A N GLY 373.A O no hydrogen 2.855 N/A ALA 381.A N GLY 378.A O no hydrogen 3.096 N/A TRP 382.A N GLN 374.A O no hydrogen 3.224 N/A LEU 383.A N SER 375.A O no hydrogen 3.231 N/A ARG 384.A N ALA 381.A O no hydrogen 3.016 N/A ARG 384.A NE GLU 377.A O no hydrogen 3.273 N/A ARG 384.A NE GLY 378.A O no hydrogen 2.570 N/A ARG 384.A NH2 GLU 377.A O no hydrogen 2.681 N/A TYR 385.A N ALA 381.A O no hydrogen 3.205 N/A TYR 385.A N TRP 382.A O no hydrogen 2.905 N/A VAL 386.A N TRP 382.A O no hydrogen 3.070 N/A ALA 387.A N LYS 391.A O no hydrogen 2.924 N/A GLY 390.A N ALA 387.A O no hydrogen 2.996 N/A LYS 391.A N ASP 389.A OD1 no hydrogen 3.061 N/A LYS 391.A NZ ASP 389.A O no hydrogen 3.231 N/A LYS 391.A NZ HIS 436.A ND1 no hydrogen 2.925 N/A ILE 392.A N PHE 226.A O no hydrogen 3.025 N/A HIS 393.A ND1 GLU 222.A O no hydrogen 2.629 N/A HIS 393.A NE2 ASP 389.A OD2 no hydrogen 2.886 N/A SER 395.A N ALA 409.A O no hydrogen 2.813 N/A VAL 396.A N GLU 222.A OE2 no hydrogen 2.994 N/A ASN 397.A N THR 407.A O no hydrogen 2.973 N/A ASN 399.A N ASN 397.A OD1 no hydrogen 3.177 N/A ASN 399.A ND2 ARG 96.A O no hydrogen 2.751 N/A GLY 400.A N ASN 397.A O no hydrogen 3.197 N/A ALA 401.A N ARG 405.A O no hydrogen 3.046 N/A THR 403.A OG1 GLN 580.A OE1 no hydrogen 2.469 N/A GLY 404.A N ALA 401.A O no hydrogen 3.028 N/A ARG 405.A NH2 GLU 456.A OE2 no hydrogen 3.295 N/A THR 407.A N ASN 397.A O no hydrogen 2.911 N/A HIS 408.A NE2 TRP 616.A O no hydrogen 2.924 N/A ALA 409.A N SER 395.A O no hydrogen 3.166 N/A ALA 414.A N ASN 412.A OD1 no hydrogen 2.675 N/A GLN 415.A N ASN 412.A O no hydrogen 3.172 N/A SER 421.A N GLY 418.A O no hydrogen 2.839 N/A SER 421.A OG GLY 418.A O no hydrogen 2.928 N/A GLY 424.A N SER 421.A O no hydrogen 2.710 N/A GLN 426.A N GLN 426.A OE1 no hydrogen 2.954 N/A CYS 427.A N TYR 423.A O no hydrogen 3.135 N/A CYS 427.A SG TYR 423.A O no hydrogen 3.196 N/A ARG 428.A N GLY 424.A O no hydrogen 2.865 N/A ARG 428.A NH1 PRO 417.A O no hydrogen 2.771 N/A ALA 429.A N GLU 425.A O no hydrogen 2.881 N/A ALA 430.A N GLN 426.A O no hydrogen 3.176 N/A ALA 430.A N CYS 427.A O no hydrogen 3.139 N/A PHE 431.A N ARG 428.A O no hydrogen 3.094 N/A GLY 432.A N PRO 227.A O no hydrogen 3.109 N/A ALA 433.A N GLN 447.A OE1 no hydrogen 2.829 N/A GLU 434.A N PRO 663.A O no hydrogen 3.013 N/A HIS 435.A N GLY 432.A O no hydrogen 3.009 N/A HIS 435.A NE2 ALA 429.A O no hydrogen 2.767 N/A HIS 436.A N ALA 433.A O no hydrogen 2.800 N/A ASP 438.A N LYS 443.A O no hydrogen 2.753 N/A ILE 440.A N ASP 438.A OD2 no hydrogen 2.723 N/A THR 441.A N ASP 438.A OD2 no hydrogen 3.027 N/A GLY 442.A N ASP 438.A O no hydrogen 2.865 N/A LYS 443.A N THR 441.A OG1 no hydrogen 3.131 N/A TRP 445.A N HIS 436.A O no hydrogen 3.059 N/A TRP 445.A NE1 ASP 438.A OD1 no hydrogen 2.942 N/A VAL 446.A N CYS 625.A O no hydrogen 2.703 N/A GLN 447.A N GLY 662.A O no hydrogen 2.746 N/A GLN 447.A NE2 GLN 622.A OE1 no hydrogen 2.954 N/A ALA 448.A N VAL 623.A O no hydrogen 2.853 N/A GLY 449.A N LYS 660.A O no hydrogen 2.700 N/A ILE 450.A N ILE 621.A O no hydrogen 3.052 N/A ASP 451.A N GLU 658.A O no hydrogen 2.907 N/A ALA 452.A N ASP 619.A O no hydrogen 2.977 N/A SER 453.A N ASP 656.A O no hydrogen 3.041 N/A LEU 457.A N GLY 454.A O no hydrogen 3.115 N/A ARG 458.A N GLY 454.A O no hydrogen 3.000 N/A ARG 458.A N LEU 455.A O no hydrogen 3.052 N/A ARG 458.A NH1 LEU 654.A O no hydrogen 2.848 N/A ARG 458.A NH1 ASP 656.A OD2 no hydrogen 2.807 N/A CYS 459.A N LEU 455.A O no hydrogen 3.096 N/A CYS 459.A SG LEU 455.A O no hydrogen 3.527 N/A CYS 459.A SG LEU 579.A O no hydrogen 4.023 N/A LEU 460.A N GLU 456.A O no hydrogen 3.162 N/A ALA 461.A N LEU 457.A O no hydrogen 2.948 N/A HIS 462.A N ARG 458.A O no hydrogen 2.962 N/A PHE 463.A N CYS 459.A O no hydrogen 3.123 N/A MET 464.A N LEU 460.A O no hydrogen 2.895 N/A MET 464.A N ALA 461.A O no hydrogen 3.121 N/A ALA 465.A N HIS 462.A O no hydrogen 3.282 N/A PHE 467.A N MET 464.A O no hydrogen 2.912 N/A ASP 468.A N MET 464.A O no hydrogen 2.864 N/A GLY 470.A N ASP 468.A OD1 no hydrogen 3.065 N/A GLU 471.A N ASP 468.A O no hydrogen 3.221 N/A TYR 472.A N ASP 468.A OD2 no hydrogen 2.838 N/A HIS 474.A N GLY 470.A O no hydrogen 2.919 N/A GLU 475.A N GLU 471.A O no hydrogen 2.785 N/A ILE 476.A N TYR 472.A O no hydrogen 2.809 N/A LEU 477.A N HIS 474.A O no hydrogen 3.264 N/A ASN 478.A N GLU 475.A O no hydrogen 3.104 N/A THR 483.A N ASP 480.A OD2 no hydrogen 2.847 N/A THR 483.A OG1 ASP 480.A OD2 no hydrogen 3.341 N/A LYS 484.A N ASP 480.A O no hydrogen 2.873 N/A LYS 484.A NZ GLU 475.A O no hydrogen 3.272 N/A ASN 485.A N ILE 481.A O no hydrogen 2.919 N/A GLN 486.A N HIS 482.A O no hydrogen 2.792 N/A GLN 486.A NE2 LEU 491.A O no hydrogen 2.921 N/A ILE 487.A N THR 483.A O no hydrogen 3.174 N/A ALA 488.A N LYS 484.A O no hydrogen 3.307 N/A ALA 489.A N ASN 485.A O no hydrogen 2.815 N/A GLU 490.A N ILE 487.A O no hydrogen 3.028 N/A LEU 491.A N GLN 486.A O no hydrogen 2.934 N/A ARG 494.A NE ASP 480.A OD2 no hydrogen 2.767 N/A ARG 494.A NH2 ASP 480.A OD1 no hydrogen 3.121 N/A ARG 494.A NH2 ASP 480.A OD2 no hydrogen 3.289 N/A ASN 496.A N THR 493.A OG1 no hydrogen 3.084 N/A ASN 496.A ND2 ILE 516.A O no hydrogen 2.980 N/A ALA 497.A N THR 493.A O no hydrogen 3.294 N/A LYS 498.A N ARG 494.A O no hydrogen 3.050 N/A THR 499.A N ASP 495.A O no hydrogen 3.053 N/A PHE 500.A N ASN 496.A O no hydrogen 2.909 N/A ILE 501.A N ALA 497.A O no hydrogen 2.897 N/A TYR 502.A N LYS 498.A O no hydrogen 3.120 N/A GLY 503.A N THR 499.A O no hydrogen 3.195 N/A PHE 504.A N PHE 500.A O no hydrogen 2.906 N/A LEU 505.A N ILE 501.A O no hydrogen 2.788 N/A TYR 506.A N TYR 502.A O no hydrogen 2.890 N/A TYR 506.A OH GLU 456.A OE1 no hydrogen 2.588 N/A GLY 507.A N PHE 504.A O no hydrogen 3.186 N/A ALA 508.A N GLY 503.A O no hydrogen 2.899 N/A ILE 513.A N GLY 509.A O no hydrogen 2.886 N/A GLY 514.A N ASP 510.A O no hydrogen 2.985 N/A GLN 515.A N GLU 511.A O no hydrogen 2.930 N/A ILE 516.A N LYS 512.A O no hydrogen 2.989 N/A VAL 517.A N ILE 513.A O no hydrogen 3.084 N/A GLY 518.A N GLN 515.A O no hydrogen 2.796 N/A ALA 519.A N GLY 514.A O no hydrogen 2.632 N/A GLU 522.A N GLU 522.A OE1 no hydrogen 3.151 N/A ARG 523.A NH1 GLU 526.A OE1 no hydrogen 3.214 N/A GLY 524.A N GLY 520.A O no hydrogen 3.034 N/A LYS 525.A N LYS 521.A O no hydrogen 2.991 N/A LYS 525.A N GLU 522.A O no hydrogen 3.186 N/A GLU 526.A N GLU 522.A O no hydrogen 3.254 N/A LEU 527.A N ARG 523.A O no hydrogen 3.248 N/A LYS 528.A N GLY 524.A O no hydrogen 3.067 N/A LYS 529.A N LYS 525.A O no hydrogen 3.030 N/A LYS 530.A N GLU 526.A O no hydrogen 2.881 N/A PHE 531.A N LEU 527.A O no hydrogen 2.997 N/A LEU 532.A N LYS 528.A O no hydrogen 3.070 N/A GLU 533.A N LYS 529.A O no hydrogen 2.836 N/A ASN 534.A N LYS 530.A O no hydrogen 3.269 N/A THR 535.A N LEU 532.A O no hydrogen 3.187 N/A THR 535.A OG1 ASN 534.A O no hydrogen 2.847 N/A ILE 538.A N THR 535.A O no hydrogen 3.213 N/A ALA 539.A N PRO 536.A O no hydrogen 2.926 N/A ALA 540.A N PRO 536.A O no hydrogen 3.425 N/A LEU 541.A N ALA 537.A O no hydrogen 2.942 N/A ARG 542.A N ILE 538.A O no hydrogen 3.065 N/A ARG 542.A NH2 PHE 504.A O no hydrogen 3.437 N/A ARG 542.A NH2 LEU 505.A O no hydrogen 2.939 N/A GLU 543.A N ALA 539.A O no hydrogen 2.843 N/A SER 544.A N ALA 540.A O no hydrogen 2.915 N/A ILE 545.A N LEU 541.A O no hydrogen 2.894 N/A GLN 546.A N ARG 542.A O no hydrogen 2.976 N/A GLN 547.A N GLU 543.A O no hydrogen 2.871 N/A THR 548.A N SER 544.A O no hydrogen 3.142 N/A THR 548.A N ILE 545.A O no hydrogen 3.226 N/A THR 548.A OG1 SER 544.A O no hydrogen 2.961 N/A LEU 549.A N ILE 545.A O no hydrogen 3.074 N/A VAL 550.A N GLN 546.A O no hydrogen 2.787 N/A GLU 551.A N LYS 552.A O no hydrogen 3.232 N/A LYS 554.A N LEU 549.A O no hydrogen 2.720 N/A LYS 554.A NZ GLN 547.A O no hydrogen 2.733 N/A LYS 554.A NZ VAL 550.A O no hydrogen 3.456 N/A ARG 555.A N LEU 549.A O no hydrogen 3.279 N/A ARG 555.A NH1 TRP 557.A O no hydrogen 3.351 N/A ARG 556.A NE VAL 568.A O no hydrogen 3.133 N/A ARG 556.A NH2 ARG 569.A O no hydrogen 3.221 N/A ILE 558.A N VAL 566.A O no hydrogen 2.841 N/A GLY 560.A N ARG 564.A O no hydrogen 2.881 N/A GLY 563.A N GLY 560.A O no hydrogen 2.795 N/A ARG 564.A N ASP 562.A OD1 no hydrogen 3.152 N/A ARG 564.A NH1 GLU 211.A OE2 no hydrogen 3.025 N/A ARG 564.A NH1 ASP 562.A OD2 no hydrogen 2.736 N/A ARG 564.A NH2 GLU 211.A OE2 no hydrogen 2.729 N/A LYS 565.A N TYR 185.A OH no hydrogen 3.065 N/A VAL 566.A N ILE 558.A O no hydrogen 2.675 N/A VAL 568.A N ARG 556.A O no hydrogen 3.073 N/A ALA 573.A N SER 570.A O no hydrogen 3.012 N/A ALA 574.A N PRO 571.A O no hydrogen 3.321 N/A THR 577.A N ALA 573.A O no hydrogen 3.003 N/A THR 577.A OG1 ALA 573.A O no hydrogen 3.039 N/A LEU 578.A N ALA 574.A O no hydrogen 2.933 N/A LEU 579.A N LEU 575.A O no hydrogen 2.967 N/A GLN 580.A N ASN 576.A O no hydrogen 2.749 N/A SER 581.A N THR 577.A O no hydrogen 3.032 N/A SER 581.A OG THR 403.A O no hydrogen 2.845 N/A ALA 582.A N LEU 578.A O no hydrogen 3.176 N/A GLY 583.A N LEU 579.A O no hydrogen 2.914 N/A ALA 584.A N GLN 580.A O no hydrogen 2.765 N/A LEU 585.A N SER 581.A O no hydrogen 2.747 N/A ILE 586.A N ALA 582.A O no hydrogen 2.879 N/A CYS 587.A N GLY 583.A O no hydrogen 3.080 N/A CYS 587.A SG GLY 583.A O no hydrogen 3.202 N/A LYS 588.A N ALA 584.A O no hydrogen 2.997 N/A LYS 588.A NZ GLU 211.A OE2 no hydrogen 2.910 N/A LYS 588.A NZ PRO 398.A O no hydrogen 2.830 N/A LYS 588.A NZ GLY 404.A O no hydrogen 2.760 N/A LEU 589.A N LEU 585.A O no hydrogen 3.047 N/A TRP 590.A N ILE 586.A O no hydrogen 2.857 N/A TRP 590.A NE1 ALA 638.A O no hydrogen 2.844 N/A ILE 591.A N CYS 587.A O no hydrogen 2.942 N/A ILE 592.A N LYS 588.A O no hydrogen 3.306 N/A LYS 593.A N LEU 589.A O no hydrogen 2.828 N/A THR 594.A N TRP 590.A O no hydrogen 2.845 N/A THR 594.A OG1 TRP 590.A O no hydrogen 2.764 N/A GLU 595.A N ILE 591.A O no hydrogen 3.275 N/A GLU 596.A N ILE 592.A O no hydrogen 3.059 N/A MET 597.A N LYS 593.A O no hydrogen 3.002 N/A LEU 598.A N THR 594.A O no hydrogen 3.067 N/A VAL 599.A N GLU 595.A O no hydrogen 2.987 N/A GLU 600.A N GLU 596.A O no hydrogen 3.015 N/A LYS 601.A N MET 597.A O no hydrogen 3.128 N/A LYS 601.A N LEU 598.A O no hydrogen 3.242 N/A LYS 601.A NZ THR 637.A OG1 no hydrogen 3.011 N/A LYS 601.A NZ GLU 640.A OE1 no hydrogen 3.391 N/A GLY 602.A N VAL 599.A O no hydrogen 2.989 N/A LEU 603.A N LEU 598.A O no hydrogen 3.017 N/A LYS 604.A N ASP 610.A OD2 no hydrogen 2.907 N/A HIS 605.A ND1 GLU 595.A OE2 no hydrogen 2.826 N/A GLY 606.A N PHE 611.A O no hydrogen 2.763 N/A TRP 607.A NE1 ASN 224.A O no hydrogen 2.791 N/A GLY 609.A N GLY 606.A O no hydrogen 2.831 N/A ASP 610.A N LYS 604.A O no hydrogen 2.861 N/A PHE 611.A N LYS 604.A O no hydrogen 3.283 N/A ALA 612.A N GLY 624.A O no hydrogen 2.889 N/A TYR 613.A N HIS 605.A NE2 no hydrogen 3.206 N/A TYR 613.A OH ILE 591.A O no hydrogen 2.698 N/A MET 614.A N GLN 622.A O no hydrogen 2.976 N/A ALA 615.A N GLN 622.A O no hydrogen 3.394 N/A VAL 617.A N GLU 620.A O no hydrogen 2.722 N/A ILE 621.A N ILE 450.A O no hydrogen 3.005 N/A GLN 622.A N ALA 615.A O no hydrogen 2.975 N/A GLN 622.A NE2 GLU 620.A OE1 no hydrogen 2.683 N/A GLN 622.A NE2 CYS 668.A O no hydrogen 3.180 N/A VAL 623.A N ALA 448.A O no hydrogen 2.803 N/A GLY 624.A N ALA 612.A O no hydrogen 2.808 N/A CYS 625.A N VAL 446.A O no hydrogen 2.508 N/A CYS 625.A SG VAL 623.A O no hydrogen 3.568 N/A ARG 626.A N ASP 610.A O no hydrogen 2.961 N/A ARG 626.A NE GLY 609.A O no hydrogen 3.087 N/A ARG 626.A NE ASP 610.A OD1 no hydrogen 3.357 N/A ARG 626.A NH2 ASP 610.A OD1 no hydrogen 2.832 N/A ILE 630.A N THR 627.A OG1 no hydrogen 3.130 N/A ALA 631.A N THR 627.A O no hydrogen 3.010 N/A GLN 632.A N GLU 628.A O no hydrogen 2.900 N/A GLN 632.A NE2 GLU 636.A OE2 no hydrogen 3.252 N/A VAL 633.A N GLU 629.A O no hydrogen 3.099 N/A VAL 634.A N ILE 630.A O no hydrogen 2.917 N/A ILE 635.A N ALA 631.A O no hydrogen 3.098 N/A GLU 636.A N GLN 632.A O no hydrogen 3.053 N/A THR 637.A N VAL 633.A O no hydrogen 2.715 N/A THR 637.A OG1 VAL 633.A O no hydrogen 2.586 N/A ALA 638.A N VAL 634.A O no hydrogen 2.843 N/A GLN 639.A N ILE 635.A O no hydrogen 3.259 N/A GLN 639.A NE2 ASP 656.A OD1 no hydrogen 2.972 N/A GLU 640.A N GLU 636.A O no hydrogen 3.196 N/A ALA 641.A N THR 637.A O no hydrogen 2.939 N/A MET 642.A N ALA 638.A O no hydrogen 3.236 N/A ARG 643.A N GLN 639.A O no hydrogen 3.211 N/A ARG 643.A NH1 ASP 656.A OD1 no hydrogen 2.815 N/A TRP 644.A N GLU 640.A O no hydrogen 2.944 N/A VAL 645.A N ALA 641.A O no hydrogen 2.835 N/A GLY 646.A N MET 642.A O no hydrogen 2.966 N/A ASP 647.A N ARG 643.A O no hydrogen 3.028 N/A HIS 648.A N TRP 644.A O no hydrogen 2.778 N/A HIS 648.A NE2 GLU 206.A OE2 no hydrogen 2.666 N/A TRP 649.A N VAL 645.A O no hydrogen 3.134 N/A TRP 649.A NE1 GLU 206.A OE1 no hydrogen 3.136 N/A ASN 650.A N ASP 647.A O no hydrogen 3.010 N/A PHE 651.A N GLY 646.A O no hydrogen 2.818 N/A ARG 652.A N HIS 462.A ND1 no hydrogen 2.800 N/A CYS 653.A SG LEU 654.A O no hydrogen 3.698 N/A THR 657.A N GLN 639.A OE1 no hydrogen 2.951 N/A THR 657.A OG1 GLN 639.A OE1 no hydrogen 2.505 N/A GLU 658.A N ASP 451.A O no hydrogen 2.917 N/A LYS 660.A N GLY 449.A O no hydrogen 2.674 N/A LYS 660.A NZ GLU 658.A OE1 no hydrogen 3.167 N/A GLY 662.A N GLN 447.A O no hydrogen 2.923 N/A ASN 664.A ND2 GLU 434.A OE2 no hydrogen 2.844 N/A TRP 665.A N PHE 431.A O no hydrogen 2.799 N/A TRP 665.A NE1 GLU 620.A OE1 no hydrogen 2.704 N/A ILE 667.A N ASN 664.A O no hydrogen 3.211 N/A ILE 667.A N ASN 664.A OD1 no hydrogen 3.177 N/A CYS 668.A N ASN 664.A O no hydrogen 2.916 N/A CYS 668.A SG GLN 447.A O no hydrogen 3.514 N/A CYS 668.A SG LYS 660.A O no hydrogen 3.776 N/A CYS 668.A SG ASN 664.A O no hydrogen 3.394 N/A