Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1skw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 49.A OE2 no hydrogen 3.181 N/A ILE 2.A N LEU 55.A O no hydrogen 3.013 N/A VAL 3.A N TYR 24.A O no hydrogen 2.767 N/A SER 4.A N VAL 57.A O no hydrogen 2.804 N/A SER 4.A OG VAL 22.A O no hydrogen 2.683 N/A SER 4.A OG TYR 42.A OH no hydrogen 2.643 N/A ASP 5.A N VAL 22.A O no hydrogen 3.388 N/A ILE 6.A N ASP 65.A OD2 no hydrogen 3.353 N/A GLU 7.A N CYS 20.A O no hydrogen 2.827 N/A ASN 9.A N LYS 17.A O no hydrogen 3.164 N/A ASN 9.A ND2 THR 16.A OG1 no hydrogen 2.857 N/A SER 14.A N LEU 11.A O no hydrogen 2.968 N/A THR 16.A N ASN 9.A OD1 no hydrogen 2.887 N/A LYS 17.A N ASN 9.A OD1 no hydrogen 3.093 N/A PHE 18.A N GLN 76.A OE1 no hydrogen 2.934 N/A HIS 19.A N GLU 7.A O no hydrogen 2.925 N/A HIS 19.A NE2 TRP 154.A O no hydrogen 2.607 N/A CYS 20.A N GLU 7.A O no hydrogen 3.217 N/A CYS 20.A SG ASN 165.A OD1 no hydrogen 3.427 N/A GLY 21.A N TYR 34.A O no hydrogen 2.973 N/A VAL 22.A N ASP 5.A O no hydrogen 3.053 N/A ILE 23.A N VAL 32.A O no hydrogen 2.966 N/A TYR 24.A N VAL 3.A O no hydrogen 2.835 N/A ASP 25.A N GLU 30.A O no hydrogen 3.339 N/A TYR 26.A N MET 1.A O no hydrogen 3.005 N/A TYR 26.A OH GLU 177.A OE2 no hydrogen 2.726 N/A SER 27.A N ASP 25.A OD1 no hydrogen 2.915 N/A SER 27.A OG ASP 25.A OD1 no hydrogen 2.837 N/A SER 27.A OG ASP 25.A OD2 no hydrogen 3.357 N/A THR 28.A N ASP 25.A O no hydrogen 3.186 N/A THR 28.A OG1 ASP 25.A O no hydrogen 3.519 N/A ALA 29.A N ASP 25.A O no hydrogen 2.685 N/A GLU 30.A N THR 28.A OG1 no hydrogen 3.309 N/A VAL 32.A N ILE 23.A O no hydrogen 2.820 N/A TYR 34.A N GLY 21.A O no hydrogen 2.781 N/A ARG 35.A N ASP 38.A OD2 no hydrogen 3.060 N/A ARG 35.A NE GLU 159.A OE2 no hydrogen 3.314 N/A ARG 35.A NH2 GLU 159.A OE1 no hydrogen 3.398 N/A ASP 38.A N ARG 35.A O no hydrogen 2.778 N/A TYR 42.A N ASP 38.A O no hydrogen 2.870 N/A TYR 42.A OH SER 4.A OG no hydrogen 2.643 N/A LEU 43.A N PHE 39.A O no hydrogen 3.006 N/A ASP 44.A N GLY 40.A O no hydrogen 2.886 N/A ALA 45.A N ALA 41.A O no hydrogen 2.899 N/A LEU 46.A N TYR 42.A O no hydrogen 3.119 N/A GLU 47.A N LEU 43.A O no hydrogen 2.995 N/A ALA 48.A N ASP 44.A O no hydrogen 2.930 N/A GLU 49.A N ALA 45.A O no hydrogen 3.316 N/A VAL 50.A N LEU 46.A O no hydrogen 3.186 N/A ALA 51.A N GLU 47.A O no hydrogen 2.880 N/A ARG 52.A N ALA 48.A O no hydrogen 3.184 N/A GLY 53.A N VAL 50.A O no hydrogen 2.955 N/A GLY 54.A N GLU 49.A O no hydrogen 2.857 N/A LEU 55.A N GLU 49.A OE2 no hydrogen 2.967 N/A ILE 56.A N ASN 87.A O no hydrogen 2.811 N/A VAL 57.A N ILE 2.A O no hydrogen 2.927 N/A PHE 58.A N ILE 89.A O no hydrogen 3.135 N/A HIS 59.A ND1 THR 91.A OG1 no hydrogen 2.700 N/A ASN 60.A N ASP 90.A OD1 no hydrogen 2.727 N/A HIS 62.A N ASP 90.A OD2 no hydrogen 2.984 N/A LYS 63.A NZ GLU 222.A OE1 no hydrogen 3.290 N/A LYS 63.A NZ GLU 222.A OE2 no hydrogen 2.695 N/A LYS 63.A NZ SER 404.A OG no hydrogen 3.267 N/A LYS 63.A NZ VAL 405.A O no hydrogen 3.295 N/A TYR 64.A N ASN 60.A O no hydrogen 3.202 N/A TYR 64.A OH ALA 10.A O no hydrogen 2.671 N/A VAL 66.A N GLY 61.A O no hydrogen 3.017 N/A ALA 68.A N TYR 64.A O no hydrogen 2.730 N/A LEU 69.A N ASP 65.A O no hydrogen 2.813 N/A THR 70.A N VAL 66.A O no hydrogen 3.144 N/A THR 70.A OG1 VAL 66.A O no hydrogen 3.481 N/A THR 70.A OG1 PHE 81.A O no hydrogen 2.789 N/A LYS 71.A N PRO 67.A O no hydrogen 2.968 N/A LYS 71.A NZ LEU 12.A O no hydrogen 3.114 N/A LEU 72.A N ALA 68.A O no hydrogen 2.789 N/A ALA 73.A N LEU 69.A O no hydrogen 2.903 N/A LYS 74.A N THR 70.A O no hydrogen 3.357 N/A LYS 74.A NZ ASN 78.A OD1 no hydrogen 2.498 N/A LEU 75.A N LYS 71.A O no hydrogen 3.062 N/A GLN 76.A N LEU 72.A O no hydrogen 2.825 N/A LEU 77.A N ALA 73.A O no hydrogen 2.966 N/A ASN 78.A N LYS 74.A O no hydrogen 2.916 N/A ARG 79.A N ALA 73.A O no hydrogen 3.098 N/A ARG 79.A NH1 ASP 44.A OD1 no hydrogen 3.219 N/A ARG 79.A NH2 ASP 44.A OD1 no hydrogen 2.982 N/A HIS 82.A NE2 GLU 80.A OE1 no hydrogen 2.971 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.880 N/A ASN 87.A N PRO 84.A O no hydrogen 3.021 N/A ASN 87.A ND2 GLY 54.A O no hydrogen 3.108 N/A CYS 88.A N ARG 85.A O no hydrogen 3.082 N/A CYS 88.A SG PRO 84.A O no hydrogen 3.687 N/A ILE 89.A N ILE 56.A O no hydrogen 2.836 N/A ASP 90.A N HIS 212.A NE2 no hydrogen 3.001 N/A THR 91.A N PHE 58.A O no hydrogen 3.058 N/A THR 91.A OG1 PHE 58.A O no hydrogen 3.556 N/A THR 91.A OG1 HIS 59.A ND1 no hydrogen 2.700 N/A LEU 92.A N ASP 90.A OD1 no hydrogen 2.757 N/A VAL 93.A N ASP 90.A OD1 no hydrogen 3.279 N/A LEU 94.A N ASP 90.A O no hydrogen 2.959 N/A SER 95.A N THR 91.A O no hydrogen 2.978 N/A SER 95.A OG THR 91.A O no hydrogen 2.943 N/A ARG 96.A N LEU 92.A O no hydrogen 3.045 N/A ARG 96.A NE ASP 104.A OD2 no hydrogen 2.821 N/A ARG 96.A NH2 ASP 104.A OD1 no hydrogen 3.051 N/A ARG 96.A NH2 ASP 104.A OD2 no hydrogen 3.479 N/A ARG 96.A NH2 ASP 106.A OD1 no hydrogen 3.061 N/A LEU 97.A N VAL 93.A O no hydrogen 3.287 N/A LEU 97.A N LEU 94.A O no hydrogen 3.031 N/A ILE 98.A N LEU 94.A O no hydrogen 2.858 N/A HIS 99.A N SER 95.A O no hydrogen 2.658 N/A SER 100.A OG LEU 97.A O no hydrogen 3.334 N/A LEU 102.A N HIS 99.A O no hydrogen 2.839 N/A ASP 106.A N ASP 104.A OD1 no hydrogen 2.738 N/A GLY 108.A N THR 105.A OG1 no hydrogen 3.232 N/A LEU 109.A N ASP 106.A O no hydrogen 3.389 N/A LEU 110.A N THR 105.A O no hydrogen 2.937 N/A LYS 114.A N ARG 111.A O no hydrogen 3.157 N/A LEU 115.A N SER 112.A O no hydrogen 2.937 N/A TRP 122.A N GLU 120.A OE2 no hydrogen 2.879 N/A GLY 123.A N GLU 120.A OE1 no hydrogen 2.578 N/A TYR 124.A N GLU 120.A O no hydrogen 2.949 N/A ARG 125.A N ALA 121.A O no hydrogen 3.002 N/A LEU 126.A N TRP 122.A O no hydrogen 3.075 N/A GLY 127.A N GLY 123.A O no hydrogen 3.135 N/A GLU 128.A N TYR 124.A O no hydrogen 3.086 N/A GLU 128.A N ARG 125.A O no hydrogen 3.340 N/A GLU 132.A N GLU 128.A O no hydrogen 2.877 N/A TYR 133.A N MET 129.A O no hydrogen 2.710 N/A TYR 133.A OH GLU 153.A O no hydrogen 2.449 N/A LYS 134.A N LYS 130.A O no hydrogen 2.894 N/A ASP 135.A N GLY 131.A O no hydrogen 2.901 N/A ASP 136.A N GLU 132.A O no hydrogen 2.988 N/A PHE 137.A N TYR 133.A O no hydrogen 2.900 N/A LYS 138.A N LYS 134.A O no hydrogen 3.045 N/A LYS 138.A NZ GLU 142.A OE2 no hydrogen 3.084 N/A ARG 139.A N ASP 135.A O no hydrogen 3.102 N/A MET 140.A N ASP 136.A O no hydrogen 3.027 N/A LEU 141.A N PHE 137.A O no hydrogen 2.959 N/A GLU 142.A N LYS 138.A O no hydrogen 2.676 N/A GLU 143.A N MET 140.A O no hydrogen 3.331 N/A GLN 144.A N LEU 141.A O no hydrogen 2.646 N/A GLU 146.A N LEU 141.A O no hydrogen 3.217 N/A TYR 148.A OH ASP 150.A O no hydrogen 2.364 N/A TYR 148.A OH GLU 153.A OE1 no hydrogen 2.750 N/A MET 152.A N VAL 149.A O no hydrogen 3.044 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.742 N/A TRP 154.A N GLY 151.A O no hydrogen 3.478 N/A TRP 155.A N MET 152.A O no hydrogen 3.227 N/A ASN 158.A ND2 TYR 133.A OH no hydrogen 2.977 N/A ASN 158.A ND2 ASN 156.A O no hydrogen 3.655 N/A MET 161.A N ASN 158.A O no hydrogen 2.982 N/A MET 161.A N ASN 158.A OD1 no hydrogen 2.626 N/A MET 162.A N ASN 158.A O no hydrogen 3.105 N/A ASP 163.A N GLU 159.A O no hydrogen 2.822 N/A TYR 164.A N GLU 160.A O no hydrogen 3.283 N/A TYR 164.A OH GLU 132.A OE2 no hydrogen 3.337 N/A ASN 165.A N MET 161.A O no hydrogen 2.953 N/A ASN 165.A ND2 ASP 5.A O no hydrogen 3.279 N/A VAL 166.A N MET 162.A O no hydrogen 3.037 N/A GLN 167.A N ASP 163.A O no hydrogen 2.999 N/A ASP 168.A N TYR 164.A O no hydrogen 2.912 N/A VAL 169.A N ASN 165.A O no hydrogen 3.305 N/A VAL 170.A N VAL 166.A O no hydrogen 3.206 N/A VAL 171.A N GLN 167.A O no hydrogen 3.017 N/A THR 172.A N ASP 168.A O no hydrogen 2.878 N/A THR 172.A OG1 ASP 168.A O no hydrogen 2.772 N/A LYS 173.A N VAL 169.A O no hydrogen 2.976 N/A LYS 173.A NZ GLU 177.A OE2 no hydrogen 2.837 N/A ALA 174.A N VAL 170.A O no hydrogen 3.070 N/A LEU 175.A N VAL 171.A O no hydrogen 2.855 N/A LEU 176.A N THR 172.A O no hydrogen 2.954 N/A GLU 177.A N LYS 173.A O no hydrogen 3.103 N/A LYS 178.A N ALA 174.A O no hydrogen 3.021 N/A LYS 178.A NZ GLU 120.A OE2 no hydrogen 2.654 N/A LEU 179.A N LEU 175.A O no hydrogen 2.775 N/A LEU 180.A N LEU 176.A O no hydrogen 2.765 N/A SER 181.A N LYS 178.A O no hydrogen 3.235 N/A SER 181.A OG LYS 178.A O no hydrogen 2.755 N/A ASP 182.A N LEU 179.A O no hydrogen 3.187 N/A HIS 184.A N ASP 182.A OD1 no hydrogen 3.060 N/A HIS 184.A NE2 GLY 572.A O no hydrogen 2.682 N/A TYR 185.A N ASP 182.A O no hydrogen 3.049 N/A PHE 186.A N ASP 182.A O no hydrogen 2.977 N/A ILE 190.A N PRO 187.A O no hydrogen 3.257 N/A THR 193.A N ASP 191.A OD1 no hydrogen 2.988 N/A THR 193.A OG1 ASP 191.A OD1 no hydrogen 2.746 N/A ASP 194.A N ASP 191.A O no hydrogen 3.108 N/A TYR 197.A N GLY 53.A O no hydrogen 3.144 N/A PHE 200.A N GLY 196.A O no hydrogen 2.960 N/A TRP 201.A N TYR 197.A O no hydrogen 3.106 N/A TRP 201.A NE1 GLU 86.A O no hydrogen 2.728 N/A SER 202.A N THR 198.A O no hydrogen 2.947 N/A SER 202.A OG THR 198.A O no hydrogen 2.804 N/A SER 202.A OG THR 199.A O no hydrogen 3.236 N/A SER 202.A OG GLU 203.A OE2 no hydrogen 3.134 N/A GLU 203.A N THR 199.A O no hydrogen 2.776 N/A SER 204.A OG PHE 200.A O no hydrogen 3.018 N/A LEU 205.A N TYR 185.A O no hydrogen 2.961 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 3.066 N/A GLU 211.A N ALA 207.A O no hydrogen 2.847 N/A HIS 212.A N VAL 208.A O no hydrogen 3.180 N/A HIS 212.A ND1 VAL 208.A O no hydrogen 2.832 N/A ARG 213.A N ASP 209.A O no hydrogen 3.010 N/A ARG 213.A NE ASP 209.A OD1 no hydrogen 3.273 N/A ARG 213.A NE ASP 209.A OD2 no hydrogen 3.355 N/A ALA 214.A N ILE 210.A O no hydrogen 2.871 N/A ALA 215.A N GLU 211.A O no hydrogen 2.912 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 3.064 N/A LEU 218.A N ALA 214.A O no hydrogen 2.883 N/A ALA 219.A N ALA 215.A O no hydrogen 2.890 N/A LYS 220.A N TRP 216.A O no hydrogen 3.269 N/A LYS 220.A NZ HIS 614.A O no hydrogen 3.065 N/A GLN 221.A N LEU 217.A O no hydrogen 2.887 N/A GLU 222.A N LEU 218.A O no hydrogen 3.014 N/A ARG 223.A N ALA 219.A O no hydrogen 3.155 N/A ASN 224.A N LYS 220.A O no hydrogen 2.911 N/A ASN 224.A ND2 HIS 614.A NE2 no hydrogen 3.185 N/A ASN 224.A ND2 TYR 622.A O no hydrogen 3.062 N/A GLY 225.A N GLN 221.A O no hydrogen 2.999 N/A PHE 226.A N ILE 401.A O no hydrogen 2.896 N/A PHE 228.A N GLY 399.A O no hydrogen 3.109 N/A ASP 229.A N ALA 439.A O no hydrogen 2.818 N/A THR 230.A N PHE 228.A O no hydrogen 3.136 N/A ALA 232.A N ASP 229.A OD1 no hydrogen 3.169 N/A ILE 233.A N ASP 229.A O no hydrogen 3.190 N/A GLU 234.A N THR 230.A O no hydrogen 2.967 N/A GLU 235.A N LYS 231.A O no hydrogen 3.058 N/A LEU 236.A N ALA 232.A O no hydrogen 3.035 N/A TYR 237.A N ILE 233.A O no hydrogen 2.839 N/A TYR 237.A OH GLU 386.A OE2 no hydrogen 2.644 N/A VAL 238.A N GLU 234.A O no hydrogen 3.028 N/A GLU 239.A N GLU 235.A O no hydrogen 3.028 N/A LEU 240.A N LEU 236.A O no hydrogen 2.880 N/A ALA 241.A N TYR 237.A O no hydrogen 2.930 N/A ALA 242.A N VAL 238.A O no hydrogen 3.107 N/A ARG 243.A N GLU 239.A O no hydrogen 3.153 N/A ARG 243.A NH1 GLU 373.A OE2 no hydrogen 2.853 N/A ARG 244.A N LEU 240.A O no hydrogen 2.877 N/A ARG 244.A NH1 GLN 378.A OE1 no hydrogen 2.616 N/A ARG 244.A NH1 GLU 386.A OE1 no hydrogen 2.946 N/A ARG 244.A NH2 GLU 386.A OE2 no hydrogen 3.063 N/A SER 245.A N ALA 241.A O no hydrogen 3.018 N/A SER 245.A OG ALA 241.A O no hydrogen 3.284 N/A GLU 246.A N ALA 242.A O no hydrogen 3.091 N/A LEU 247.A N ARG 243.A O no hydrogen 2.999 N/A LEU 248.A N ARG 244.A O no hydrogen 2.883 N/A ARG 249.A N SER 245.A O no hydrogen 2.789 N/A ARG 249.A NE GLU 246.A OE1 no hydrogen 3.024 N/A ARG 249.A NH2 GLU 246.A OE2 no hydrogen 2.610 N/A LYS 250.A N GLU 246.A O no hydrogen 3.125 N/A LEU 251.A N LEU 247.A O no hydrogen 3.017 N/A THR 252.A N LEU 248.A O no hydrogen 2.795 N/A THR 252.A OG1 LEU 248.A O no hydrogen 2.683 N/A THR 252.A OG1 ARG 249.A O no hydrogen 2.663 N/A GLU 253.A N ARG 249.A O no hydrogen 3.116 N/A THR 254.A N LYS 250.A O no hydrogen 3.114 N/A THR 254.A OG1 LYS 250.A O no hydrogen 3.259 N/A THR 254.A OG1 GLU 363.A OE2 no hydrogen 3.106 N/A PHE 255.A N LEU 251.A O no hydrogen 2.859 N/A SER 257.A OG HIS 316.A NE2 no hydrogen 2.716 N/A TRP 258.A N VAL 317.A O no hydrogen 3.063 N/A TRP 258.A NE1 GLN 260.A OE1 no hydrogen 3.016 N/A GLN 260.A N GLU 315.A O no hydrogen 3.037 N/A GLN 260.A NE2 GLU 315.A OE2 no hydrogen 3.403 N/A LYS 262.A N PRO 313.A O no hydrogen 3.006 N/A THR 265.A N ILE 283.A O no hydrogen 3.103 N/A GLU 266.A N ILE 283.A O no hydrogen 3.134 N/A CYS 269.A SG MET 267.A O no hydrogen 3.996 N/A HIS 270.A N LYS 275.A O no hydrogen 3.007 N/A GLY 274.A N HIS 270.A O no hydrogen 2.611 N/A LYS 275.A N THR 273.A OG1 no hydrogen 3.356 N/A LEU 277.A N PHE 268.A O no hydrogen 2.753 N/A TYR 280.A N LEU 277.A O no hydrogen 3.224 N/A ILE 283.A N GLU 266.A O no hydrogen 2.992 N/A LYS 284.A N TYR 311.A O no hydrogen 3.013 N/A LYS 284.A NZ THR 285.A O no hydrogen 2.894 N/A THR 285.A OG1 GLU 266.A OE1 no hydrogen 2.700 N/A GLY 290.A N ASP 301.A OD1 no hydrogen 3.211 N/A LYS 293.A N GLU 299.A O no hydrogen 2.705 N/A ASP 301.A N ILE 291.A O no hydrogen 3.127 N/A ARG 303.A N ASP 301.A OD2 no hydrogen 3.098 N/A ALA 307.A N GLY 289.A O no hydrogen 2.919 N/A GLY 308.A N PRO 286.A O no hydrogen 3.003 N/A ALA 309.A N VAL 306.A O no hydrogen 2.807 N/A TYR 311.A N LYS 284.A O no hydrogen 3.196 N/A GLU 315.A N GLN 260.A O no hydrogen 2.703 N/A HIS 316.A NE2 SER 257.A OG no hydrogen 2.716 N/A VAL 317.A N TRP 258.A O no hydrogen 2.918 N/A ASN 320.A N HIS 326.A ND1 no hydrogen 2.929 N/A SER 322.A N ASN 320.A OD1 no hydrogen 2.949 N/A SER 323.A N ASN 320.A O no hydrogen 2.959 N/A ARG 324.A NH1 VAL 349.A O no hydrogen 2.777 N/A HIS 326.A N SER 323.A OG no hydrogen 3.046 N/A ILE 327.A N SER 323.A O no hydrogen 3.174 N/A GLN 328.A N ARG 324.A O no hydrogen 2.930 N/A LYS 329.A N ASP 325.A O no hydrogen 2.806 N/A LYS 330.A N HIS 326.A O no hydrogen 2.750 N/A LYS 330.A NZ GLY 256.A O no hydrogen 2.786 N/A LEU 331.A N ILE 327.A O no hydrogen 2.897 N/A GLN 332.A N GLN 328.A O no hydrogen 3.140 N/A GLN 332.A NE2 GLN 328.A OE1 no hydrogen 2.638 N/A GLU 333.A N LYS 329.A O no hydrogen 3.363 N/A ALA 334.A N LEU 331.A O no hydrogen 2.943 N/A GLY 335.A N GLN 332.A O no hydrogen 2.657 N/A TRP 336.A N LEU 331.A O no hydrogen 3.124 N/A THR 339.A OG1 VAL 337.A O no hydrogen 3.450 N/A THR 342.A N ALA 346.A O no hydrogen 2.649 N/A THR 342.A OG1 ALA 346.A O no hydrogen 2.864 N/A LYS 344.A N THR 342.A O no hydrogen 2.688 N/A GLY 345.A N THR 342.A O no hydrogen 3.089 N/A VAL 348.A N LYS 340.A O no hydrogen 2.905 N/A VAL 353.A N ASP 350.A OD1 no hydrogen 2.958 N/A LEU 354.A N ASP 350.A O no hydrogen 3.039 N/A GLU 355.A N ASP 351.A O no hydrogen 3.045 N/A GLY 356.A N VAL 353.A O no hydrogen 2.601 N/A VAL 357.A N VAL 353.A O no hydrogen 2.923 N/A ARG 358.A NH1 GLU 355.A O no hydrogen 3.082 N/A ARG 358.A NH1 VAL 357.A O no hydrogen 2.700 N/A ARG 358.A NH2 GLU 355.A O no hydrogen 3.537 N/A VAL 359.A N GLN 365.A OE1 no hydrogen 2.529 N/A LYS 364.A N ASP 361.A OD1 no hydrogen 2.964 N/A GLN 365.A N ASP 361.A O no hydrogen 3.015 N/A GLN 365.A NE2 VAL 357.A O no hydrogen 2.890 N/A ALA 366.A N PRO 362.A O no hydrogen 2.987 N/A ALA 367.A N GLU 363.A O no hydrogen 2.999 N/A ASP 369.A N ALA 366.A O no hydrogen 3.186 N/A ILE 371.A N ALA 367.A O no hydrogen 2.878 N/A LYS 372.A N ILE 368.A O no hydrogen 2.903 N/A LYS 372.A NZ ASP 369.A OD1 no hydrogen 2.983 N/A GLU 373.A N ASP 369.A O no hydrogen 2.974 N/A TYR 374.A N LEU 370.A O no hydrogen 2.878 N/A LEU 375.A N ILE 371.A O no hydrogen 2.934 N/A MET 376.A N LYS 372.A O no hydrogen 3.226 N/A ILE 377.A N GLU 373.A O no hydrogen 2.905 N/A GLN 378.A N TYR 374.A O no hydrogen 2.953 N/A GLN 378.A NE2 GLN 378.A O no hydrogen 2.988 N/A LYS 379.A N LEU 375.A O no hydrogen 3.040 N/A ARG 380.A N MET 376.A O no hydrogen 3.153 N/A ARG 380.A NE PRO 431.A O no hydrogen 2.898 N/A ARG 380.A NH2 PRO 431.A O no hydrogen 3.282 N/A ILE 381.A N ILE 377.A O no hydrogen 2.990 N/A GLY 382.A N GLN 378.A O no hydrogen 2.929 N/A GLN 383.A N LYS 379.A O no hydrogen 3.177 N/A GLN 383.A NE2 GLN 424.A O no hydrogen 2.882 N/A SER 384.A N ARG 380.A O no hydrogen 2.865 N/A SER 384.A OG ARG 380.A O no hydrogen 2.708 N/A ALA 385.A N ILE 381.A O no hydrogen 2.806 N/A GLU 386.A N ILE 381.A O no hydrogen 2.958 N/A GLY 387.A N GLY 382.A O no hydrogen 2.812 N/A ALA 390.A N GLY 387.A O no hydrogen 3.077 N/A TRP 391.A N GLN 383.A O no hydrogen 3.151 N/A LEU 392.A N SER 384.A O no hydrogen 3.169 N/A ARG 393.A N ALA 390.A O no hydrogen 2.963 N/A ARG 393.A NE GLY 387.A O no hydrogen 2.730 N/A ARG 393.A NH2 GLU 386.A O no hydrogen 2.798 N/A TYR 394.A N ALA 390.A O no hydrogen 3.182 N/A TYR 394.A N TRP 391.A O no hydrogen 2.803 N/A VAL 395.A N TRP 391.A O no hydrogen 2.990 N/A ALA 396.A N LYS 400.A O no hydrogen 2.893 N/A GLY 399.A N ALA 396.A O no hydrogen 2.878 N/A LYS 400.A N ASP 398.A OD1 no hydrogen 3.019 N/A LYS 400.A NZ ASP 398.A O no hydrogen 2.926 N/A LYS 400.A NZ HIS 445.A ND1 no hydrogen 3.090 N/A ILE 401.A N PHE 226.A O no hydrogen 3.002 N/A HIS 402.A ND1 GLU 222.A O no hydrogen 2.596 N/A HIS 402.A NE2 ASP 398.A OD1 no hydrogen 3.346 N/A HIS 402.A NE2 ASP 398.A OD2 no hydrogen 2.939 N/A SER 404.A N ALA 418.A O no hydrogen 2.807 N/A SER 404.A OG GLU 222.A OE2 no hydrogen 3.546 N/A VAL 405.A N GLU 222.A OE2 no hydrogen 2.568 N/A ASN 406.A N THR 416.A O no hydrogen 2.804 N/A ASN 408.A N ASN 406.A OD1 no hydrogen 3.186 N/A ASN 408.A ND2 ARG 96.A O no hydrogen 2.862 N/A GLY 409.A N ASN 406.A O no hydrogen 3.088 N/A ALA 410.A N ARG 414.A O no hydrogen 2.963 N/A THR 412.A OG1 GLN 589.A OE1 no hydrogen 2.677 N/A GLY 413.A N ALA 410.A O no hydrogen 2.957 N/A THR 416.A N ASN 406.A O no hydrogen 2.932 N/A HIS 417.A NE2 TRP 625.A O no hydrogen 2.828 N/A ALA 418.A N SER 404.A O no hydrogen 3.121 N/A ALA 423.A N ASN 421.A OD1 no hydrogen 2.714 N/A GLN 424.A N ASN 421.A O no hydrogen 3.277 N/A SER 430.A N GLY 427.A O no hydrogen 3.084 N/A SER 430.A OG GLY 427.A O no hydrogen 3.073 N/A GLY 433.A N SER 430.A O no hydrogen 2.814 N/A CYS 436.A N TYR 432.A O no hydrogen 3.003 N/A CYS 436.A SG TYR 432.A O no hydrogen 3.250 N/A ARG 437.A N GLY 433.A O no hydrogen 2.874 N/A ARG 437.A NH1 PRO 426.A O no hydrogen 3.360 N/A ALA 438.A N GLU 434.A O no hydrogen 2.946 N/A ALA 439.A N GLN 435.A O no hydrogen 3.267 N/A ALA 439.A N CYS 436.A O no hydrogen 3.199 N/A PHE 440.A N ARG 437.A O no hydrogen 3.035 N/A GLY 441.A N PRO 227.A O no hydrogen 3.076 N/A ALA 442.A N GLN 456.A OE1 no hydrogen 2.942 N/A GLU 443.A N PRO 672.A O no hydrogen 2.909 N/A HIS 444.A N GLY 441.A O no hydrogen 3.012 N/A HIS 444.A NE2 ALA 438.A O no hydrogen 2.763 N/A HIS 445.A N ALA 442.A O no hydrogen 2.874 N/A ASP 447.A N LYS 452.A O no hydrogen 2.718 N/A ILE 449.A N ASP 447.A OD2 no hydrogen 2.949 N/A THR 450.A N ASP 447.A OD2 no hydrogen 3.077 N/A GLY 451.A N ASP 447.A O no hydrogen 2.769 N/A LYS 452.A N THR 450.A OG1 no hydrogen 3.133 N/A TRP 454.A N HIS 445.A O no hydrogen 3.118 N/A TRP 454.A NE1 ASP 447.A OD1 no hydrogen 2.912 N/A VAL 455.A N CYS 634.A O no hydrogen 2.804 N/A GLN 456.A N GLY 671.A O no hydrogen 2.711 N/A GLN 456.A NE2 GLN 631.A OE1 no hydrogen 2.564 N/A ALA 457.A N VAL 632.A O no hydrogen 2.804 N/A GLY 458.A N LYS 669.A O no hydrogen 2.822 N/A ILE 459.A N ILE 630.A O no hydrogen 2.929 N/A ASP 460.A N GLU 667.A O no hydrogen 3.118 N/A ALA 461.A N ASP 628.A O no hydrogen 2.876 N/A SER 462.A N ASP 665.A O no hydrogen 3.008 N/A ARG 467.A N GLY 463.A O no hydrogen 3.131 N/A ARG 467.A NH1 LEU 663.A O no hydrogen 2.757 N/A ARG 467.A NH1 ASP 665.A OD2 no hydrogen 2.920 N/A CYS 468.A N LEU 464.A O no hydrogen 2.871 N/A CYS 468.A SG LEU 464.A O no hydrogen 3.422 N/A LEU 469.A N GLU 465.A O no hydrogen 2.929 N/A ALA 470.A N LEU 466.A O no hydrogen 2.738 N/A HIS 471.A N ARG 467.A O no hydrogen 2.902 N/A PHE 472.A N CYS 468.A O no hydrogen 3.165 N/A MET 473.A N LEU 469.A O no hydrogen 3.103 N/A MET 473.A N ALA 470.A O no hydrogen 3.157 N/A ALA 474.A N HIS 471.A O no hydrogen 3.263 N/A PHE 476.A N MET 473.A O no hydrogen 2.801 N/A ASP 477.A N MET 473.A O no hydrogen 2.893 N/A GLY 479.A N ASP 477.A OD1 no hydrogen 3.254 N/A GLU 480.A N ASP 477.A O no hydrogen 3.228 N/A TYR 481.A N ASP 477.A OD2 no hydrogen 2.747 N/A TYR 481.A OH ASN 494.A OD1 no hydrogen 3.000 N/A HIS 483.A N GLY 479.A O no hydrogen 2.744 N/A GLU 484.A N GLU 480.A O no hydrogen 2.972 N/A ILE 485.A N TYR 481.A O no hydrogen 3.075 N/A LEU 486.A N ALA 482.A O no hydrogen 3.235 N/A ASN 487.A N HIS 483.A O no hydrogen 3.052 N/A ASN 487.A ND2 HIS 483.A O no hydrogen 3.113 N/A ASP 489.A N GLU 484.A OE1 no hydrogen 2.785 N/A THR 492.A N ASP 489.A OD2 no hydrogen 2.672 N/A LYS 493.A N ASP 489.A O no hydrogen 3.047 N/A LYS 493.A NZ GLU 484.A OE2 no hydrogen 2.671 N/A ASN 494.A N ILE 490.A O no hydrogen 2.943 N/A ASN 494.A ND2 TYR 481.A OH no hydrogen 3.106 N/A GLN 495.A N HIS 491.A O no hydrogen 2.842 N/A ILE 496.A N THR 492.A O no hydrogen 2.906 N/A ILE 496.A N LYS 493.A O no hydrogen 3.080 N/A ALA 497.A N LYS 493.A O no hydrogen 2.872 N/A ALA 498.A N ASN 494.A O no hydrogen 2.946 N/A ARG 503.A NE ASP 489.A OD2 no hydrogen 2.876 N/A ARG 503.A NH2 ASP 489.A OD1 no hydrogen 2.959 N/A LYS 507.A N ARG 503.A O no hydrogen 3.175 N/A THR 508.A N ASN 505.A O no hydrogen 2.958 N/A PHE 509.A N ASN 505.A O no hydrogen 2.656 N/A ILE 510.A N ALA 506.A O no hydrogen 2.805 N/A GLY 512.A N THR 508.A O no hydrogen 3.202 N/A PHE 513.A N PHE 509.A O no hydrogen 2.704 N/A LEU 514.A N ILE 510.A O no hydrogen 2.754 N/A TYR 515.A N TYR 511.A O no hydrogen 2.971 N/A ILE 522.A N GLY 518.A O no hydrogen 3.243 N/A GLN 524.A N GLU 520.A O no hydrogen 2.742 N/A ILE 525.A N ILE 522.A O no hydrogen 3.147 N/A VAL 526.A N GLY 523.A O no hydrogen 2.777 N/A ALA 528.A N VAL 526.A O no hydrogen 2.577 N/A GLY 533.A N GLY 529.A O no hydrogen 3.280 N/A LYS 534.A N LYS 530.A O no hydrogen 3.369 N/A LYS 534.A N GLU 531.A O no hydrogen 3.113 N/A LEU 536.A N ARG 532.A O no hydrogen 2.642 N/A LYS 537.A N GLY 533.A O no hydrogen 3.000 N/A LYS 538.A N GLU 535.A O no hydrogen 3.292 N/A LYS 539.A N GLU 535.A O no hydrogen 2.965 N/A PHE 540.A N LEU 536.A O no hydrogen 3.051 N/A GLU 542.A N LYS 538.A O no hydrogen 2.881 N/A ASN 543.A N LYS 539.A O no hydrogen 3.164 N/A ASN 543.A N PHE 540.A O no hydrogen 2.733 N/A THR 544.A N LEU 541.A O no hydrogen 2.917 N/A THR 544.A OG1 PHE 540.A O no hydrogen 3.443 N/A ILE 547.A N THR 544.A O no hydrogen 3.152 N/A ALA 549.A N PRO 545.A O no hydrogen 2.817 N/A LEU 550.A N ALA 546.A O no hydrogen 2.942 N/A ARG 551.A N ILE 547.A O no hydrogen 2.943 N/A GLU 552.A N ALA 548.A O no hydrogen 2.958 N/A SER 553.A N ALA 549.A O no hydrogen 2.801 N/A SER 553.A OG ALA 549.A O no hydrogen 3.240 N/A SER 553.A OG LEU 550.A O no hydrogen 2.586 N/A ILE 554.A N LEU 550.A O no hydrogen 3.008 N/A GLN 555.A N ARG 551.A O no hydrogen 3.054 N/A GLN 555.A NE2 PRO 580.A O no hydrogen 3.415 N/A GLN 556.A N GLU 552.A O no hydrogen 3.033 N/A THR 557.A N SER 553.A O no hydrogen 3.258 N/A THR 557.A OG1 SER 553.A O no hydrogen 3.061 N/A LEU 558.A N ILE 554.A O no hydrogen 3.145 N/A VAL 559.A N GLN 555.A O no hydrogen 2.715 N/A LYS 563.A N LEU 558.A O no hydrogen 2.634 N/A ARG 565.A NE VAL 577.A O no hydrogen 3.203 N/A ARG 565.A NH2 ARG 578.A O no hydrogen 2.893 N/A ILE 567.A N VAL 575.A O no hydrogen 2.900 N/A GLY 569.A N ARG 573.A O no hydrogen 2.810 N/A GLY 572.A N GLY 569.A O no hydrogen 2.901 N/A ARG 573.A N ASP 571.A OD1 no hydrogen 3.258 N/A ARG 573.A NH1 GLU 211.A OE2 no hydrogen 2.959 N/A ARG 573.A NH1 ASP 571.A OD2 no hydrogen 2.803 N/A ARG 573.A NH2 GLU 211.A OE2 no hydrogen 2.699 N/A LYS 574.A N TYR 185.A OH no hydrogen 3.057 N/A VAL 575.A N ILE 567.A O no hydrogen 2.690 N/A VAL 577.A N ARG 565.A O no hydrogen 2.741 N/A SER 579.A OG HIS 581.A ND1 no hydrogen 2.846 N/A HIS 581.A ND1 SER 579.A OG no hydrogen 2.846 N/A ALA 582.A N SER 579.A O no hydrogen 3.087 N/A ALA 583.A N PRO 580.A O no hydrogen 3.385 N/A ASN 585.A ND2 LEU 514.A O no hydrogen 2.498 N/A THR 586.A N ALA 582.A O no hydrogen 2.898 N/A THR 586.A OG1 ALA 582.A O no hydrogen 3.057 N/A LEU 587.A N ALA 583.A O no hydrogen 3.049 N/A LEU 588.A N LEU 584.A O no hydrogen 2.949 N/A GLN 589.A N ASN 585.A O no hydrogen 2.828 N/A SER 590.A N THR 586.A O no hydrogen 3.012 N/A SER 590.A OG THR 412.A O no hydrogen 2.995 N/A ALA 591.A N LEU 587.A O no hydrogen 3.100 N/A GLY 592.A N LEU 588.A O no hydrogen 3.075 N/A ALA 593.A N GLN 589.A O no hydrogen 2.858 N/A LEU 594.A N SER 590.A O no hydrogen 2.830 N/A ILE 595.A N ALA 591.A O no hydrogen 2.797 N/A CYS 596.A N GLY 592.A O no hydrogen 2.842 N/A CYS 596.A SG GLY 592.A O no hydrogen 3.444 N/A LYS 597.A N ALA 593.A O no hydrogen 2.913 N/A LYS 597.A NZ GLU 211.A OE1 no hydrogen 3.500 N/A LYS 597.A NZ GLU 211.A OE2 no hydrogen 2.846 N/A LYS 597.A NZ PRO 407.A O no hydrogen 2.824 N/A LYS 597.A NZ GLY 413.A O no hydrogen 2.701 N/A LEU 598.A N LEU 594.A O no hydrogen 3.064 N/A TRP 599.A N ILE 595.A O no hydrogen 2.909 N/A TRP 599.A NE1 ALA 647.A O no hydrogen 2.940 N/A ILE 600.A N CYS 596.A O no hydrogen 3.087 N/A ILE 601.A N LYS 597.A O no hydrogen 3.202 N/A LYS 602.A N LEU 598.A O no hydrogen 2.785 N/A LYS 602.A NZ GLU 605.A OE1 no hydrogen 3.327 N/A THR 603.A N TRP 599.A O no hydrogen 2.868 N/A THR 603.A OG1 TRP 599.A O no hydrogen 2.743 N/A GLU 604.A N ILE 600.A O no hydrogen 3.210 N/A GLU 605.A N ILE 601.A O no hydrogen 3.030 N/A MET 606.A N LYS 602.A O no hydrogen 2.954 N/A LEU 607.A N THR 603.A O no hydrogen 3.020 N/A VAL 608.A N GLU 604.A O no hydrogen 3.010 N/A GLU 609.A N GLU 605.A O no hydrogen 2.993 N/A LYS 610.A N MET 606.A O no hydrogen 3.016 N/A LYS 610.A N LEU 607.A O no hydrogen 3.112 N/A LYS 610.A NZ THR 646.A OG1 no hydrogen 2.730 N/A LYS 610.A NZ GLU 649.A OE2 no hydrogen 3.374 N/A GLY 611.A N VAL 608.A O no hydrogen 3.146 N/A LEU 612.A N LEU 607.A O no hydrogen 3.105 N/A LYS 613.A N ASP 619.A OD2 no hydrogen 2.716 N/A HIS 614.A ND1 GLU 604.A OE2 no hydrogen 2.943 N/A GLY 615.A N PHE 620.A O no hydrogen 2.655 N/A TRP 616.A NE1 ASN 224.A O no hydrogen 2.774 N/A GLY 618.A N GLY 615.A O no hydrogen 2.842 N/A ASP 619.A N LYS 613.A O no hydrogen 2.833 N/A PHE 620.A N LYS 613.A O no hydrogen 3.128 N/A ALA 621.A N GLY 633.A O no hydrogen 2.841 N/A TYR 622.A N HIS 614.A NE2 no hydrogen 3.145 N/A TYR 622.A OH ILE 600.A O no hydrogen 2.816 N/A MET 623.A N GLN 631.A O no hydrogen 2.931 N/A ALA 624.A N GLN 631.A O no hydrogen 3.300 N/A TRP 625.A NE1 HIS 627.A O no hydrogen 3.165 N/A VAL 626.A N GLU 629.A O no hydrogen 2.901 N/A ASP 628.A N VAL 626.A O no hydrogen 2.927 N/A ILE 630.A N ILE 459.A O no hydrogen 2.782 N/A GLN 631.A N ALA 624.A O no hydrogen 2.924 N/A GLN 631.A NE2 CYS 677.A O no hydrogen 3.658 N/A VAL 632.A N ALA 457.A O no hydrogen 2.898 N/A GLY 633.A N ALA 621.A O no hydrogen 2.734 N/A CYS 634.A N VAL 455.A O no hydrogen 2.541 N/A CYS 634.A SG VAL 632.A O no hydrogen 3.776 N/A ARG 635.A N ASP 619.A O no hydrogen 2.873 N/A ARG 635.A NE GLY 618.A O no hydrogen 3.184 N/A ARG 635.A NH2 ASP 619.A OD1 no hydrogen 2.948 N/A ILE 639.A N THR 636.A OG1 no hydrogen 3.009 N/A ALA 640.A N THR 636.A O no hydrogen 2.999 N/A GLN 641.A N GLU 637.A O no hydrogen 2.980 N/A VAL 642.A N GLU 638.A O no hydrogen 3.068 N/A VAL 643.A N ILE 639.A O no hydrogen 2.869 N/A ILE 644.A N ALA 640.A O no hydrogen 3.019 N/A GLU 645.A N GLN 641.A O no hydrogen 3.044 N/A THR 646.A N VAL 642.A O no hydrogen 2.837 N/A THR 646.A OG1 VAL 642.A O no hydrogen 2.440 N/A ALA 647.A N VAL 643.A O no hydrogen 2.869 N/A GLN 648.A N ILE 644.A O no hydrogen 3.227 N/A GLN 648.A NE2 ASP 665.A OD1 no hydrogen 3.098 N/A GLU 649.A N GLU 645.A O no hydrogen 3.033 N/A ALA 650.A N THR 646.A O no hydrogen 2.812 N/A MET 651.A N ALA 647.A O no hydrogen 2.985 N/A ARG 652.A N GLN 648.A O no hydrogen 3.170 N/A TRP 653.A N GLU 649.A O no hydrogen 3.030 N/A VAL 654.A N ALA 650.A O no hydrogen 2.909 N/A GLY 655.A N MET 651.A O no hydrogen 2.962 N/A ASP 656.A N ARG 652.A O no hydrogen 2.910 N/A HIS 657.A N TRP 653.A O no hydrogen 2.771 N/A HIS 657.A NE2 GLU 206.A OE2 no hydrogen 2.652 N/A TRP 658.A N VAL 654.A O no hydrogen 3.137 N/A TRP 658.A NE1 GLU 206.A OE1 no hydrogen 3.088 N/A ASN 659.A N ASP 656.A O no hydrogen 3.092 N/A PHE 660.A N GLY 655.A O no hydrogen 2.927 N/A ARG 661.A N HIS 471.A ND1 no hydrogen 2.723 N/A CYS 662.A SG LEU 663.A O no hydrogen 3.741 N/A THR 666.A N GLN 648.A OE1 no hydrogen 2.903 N/A THR 666.A OG1 GLN 648.A OE1 no hydrogen 2.649 N/A GLU 667.A N ASP 460.A O no hydrogen 3.062 N/A LYS 669.A N GLY 458.A O no hydrogen 2.861 N/A GLY 671.A N GLN 456.A O no hydrogen 2.937 N/A ASN 673.A ND2 GLU 443.A OE2 no hydrogen 2.781 N/A TRP 674.A N PHE 440.A O no hydrogen 2.844 N/A TRP 674.A NE1 GLU 629.A OE2 no hydrogen 3.383 N/A ILE 676.A N ASN 673.A OD1 no hydrogen 3.056 N/A CYS 677.A N ASN 673.A O no hydrogen 2.978 N/A CYS 677.A SG GLN 456.A O no hydrogen 3.518 N/A CYS 677.A SG LYS 669.A O no hydrogen 3.631 N/A CYS 677.A SG ASN 673.A O no hydrogen 3.373 N/A