Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c50_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLU 7.A O no hydrogen 3.297 N/A GLU 7.A N TYR 4.A O no hydrogen 2.851 N/A GLY 8.A N PRO 5.A O no hydrogen 2.738 N/A GLY 9.A N TYR 4.A O no hydrogen 3.085 N/A GLY 10.A N ASP 13.A OD2 no hydrogen 3.279 N/A ASP 13.A N GLY 10.A O no hydrogen 3.304 N/A TRP 14.A N ASN 11.A O no hydrogen 3.025 N/A TRP 15.A N ASN 11.A O no hydrogen 3.235 N/A ARG 18.A N TRP 15.A O no hydrogen 3.095 N/A LYS 22.A N ASN 20.A OD1 no hydrogen 2.932 N/A VAL 23.A N ASN 20.A O no hydrogen 3.415 N/A LEU 24.A N LEU 21.A O no hydrogen 2.801 N/A HIS 25.A N LYS 22.A O no hydrogen 3.457 N/A GLN 26.A NE2 ASP 170.A OD1 no hydrogen 3.146 N/A ALA 31.A N PRO 28.A O no hydrogen 3.297 N/A ASP 32.A N ALA 29.A O no hydrogen 3.015 N/A MET 34.A N ASP 32.A OD1 no hydrogen 2.830 N/A PHE 38.A N GLY 35.A O no hydrogen 3.426 N/A TYR 40.A OH ASP 139.A OD2 no hydrogen 2.609 N/A GLU 43.A N ASP 39.A O no hydrogen 3.140 N/A VAL 44.A N TYR 40.A O no hydrogen 2.786 N/A ALA 45.A N ALA 41.A O no hydrogen 3.249 N/A THR 46.A N GLU 43.A O no hydrogen 2.958 N/A THR 46.A OG1 GLU 43.A O no hydrogen 2.842 N/A ILE 47.A N VAL 44.A O no hydrogen 3.425 N/A LEU 52.A N ASP 48.A O no hydrogen 3.249 N/A THR 53.A N VAL 49.A O no hydrogen 2.829 N/A THR 53.A OG1 VAL 49.A O no hydrogen 3.055 N/A ARG 54.A N ASP 50.A O no hydrogen 3.064 N/A ASP 55.A N ALA 51.A O no hydrogen 2.785 N/A ILE 56.A N LEU 52.A O no hydrogen 2.821 N/A GLU 57.A N THR 53.A O no hydrogen 2.812 N/A VAL 59.A N ASP 55.A O no hydrogen 3.315 N/A MET 60.A N ILE 56.A O no hydrogen 2.947 N/A THR 61.A OG1 GLU 57.A O no hydrogen 3.252 N/A THR 61.A OG1 GLU 58.A O no hydrogen 3.446 N/A THR 62.A OG1 GLU 58.A O no hydrogen 2.630 N/A THR 62.A OG1 GLU 58.A OE2 no hydrogen 3.470 N/A GLN 64.A N TYR 74.A OH no hydrogen 2.899 N/A GLN 64.A NE2 THR 62.A O no hydrogen 3.409 N/A TRP 67.A N GLN 64.A O no hydrogen 3.146 N/A ALA 69.A N SER 63.A OG no hydrogen 3.325 N/A TYR 71.A N PRO 343.A O no hydrogen 2.853 N/A TYR 71.A OH PRO 341.A O no hydrogen 2.776 N/A GLY 72.A N ALA 69.A O no hydrogen 2.727 N/A HIS 73.A N ASP 70.A O no hydrogen 2.954 N/A TYR 74.A N MET 60.A O no hydrogen 3.163 N/A TYR 74.A OH TRP 67.A O no hydrogen 2.729 N/A GLY 75.A N HIS 73.A ND1 no hydrogen 3.134 N/A PHE 78.A N TYR 74.A O no hydrogen 3.043 N/A ILE 79.A N GLY 75.A O no hydrogen 2.887 N/A ARG 80.A N PRO 76.A O no hydrogen 2.892 N/A ARG 80.A NH1 ALA 115.A O no hydrogen 3.274 N/A ARG 80.A NH2 SER 113.A O no hydrogen 2.709 N/A ARG 80.A NH2 ALA 115.A O no hydrogen 3.111 N/A MET 81.A N LEU 77.A O no hydrogen 2.871 N/A ALA 82.A N PHE 78.A O no hydrogen 2.824 N/A TRP 83.A N ILE 79.A O no hydrogen 2.898 N/A HIS 84.A N ARG 80.A O no hydrogen 2.850 N/A HIS 84.A ND1 ASN 114.A OD1 no hydrogen 2.813 N/A ALA 85.A N MET 81.A O no hydrogen 3.025 N/A ALA 85.A N ALA 82.A O no hydrogen 2.854 N/A ALA 86.A N ALA 82.A O no hydrogen 2.965 N/A GLY 87.A N TRP 83.A O no hydrogen 2.722 N/A TYR 89.A N ALA 86.A O no hydrogen 3.425 N/A TYR 89.A OH ASP 463.A OD2 no hydrogen 2.667 N/A ARG 90.A N ARG 95.A O no hydrogen 3.188 N/A ARG 90.A NE ASP 93.A OD1 no hydrogen 3.156 N/A ARG 90.A NH1 TYR 173.A O no hydrogen 2.869 N/A ARG 90.A NH2 ASP 93.A OD2 no hydrogen 3.032 N/A ARG 90.A NH2 TYR 173.A O no hydrogen 2.691 N/A ILE 91.A N ARG 230.A O no hydrogen 2.726 N/A GLY 94.A N ARG 90.A O no hydrogen 3.015 N/A ARG 95.A N ASP 93.A OD1 no hydrogen 3.058 N/A ARG 95.A NH1 ASP 93.A OD2 no hydrogen 2.853 N/A ARG 95.A NH2 ASP 588.A OD1 no hydrogen 2.779 N/A GLY 97.A N THR 88.A OG1 no hydrogen 2.792 N/A GLY 99.A N ASP 395.A OD2 no hydrogen 2.537 N/A GLY 101.A N ALA 98.A O no hydrogen 3.138 N/A GLN 103.A NE2 MET 81.A O no hydrogen 3.166 N/A ARG 104.A N GLY 101.A O no hydrogen 3.450 N/A PHE 105.A N MET 102.A O no hydrogen 2.912 N/A ASN 109.A N PHE 105.A O no hydrogen 3.064 N/A ASN 109.A ND2 ARG 104.A O no hydrogen 3.447 N/A ASN 109.A ND2 GLU 265.A OE2 no hydrogen 3.106 N/A SER 110.A N PRO 107.A O no hydrogen 2.837 N/A SER 110.A OG ASN 109.A OD1 no hydrogen 2.695 N/A TRP 111.A N LEU 108.A O no hydrogen 3.089 N/A SER 113.A N GLY 202.A O no hydrogen 3.387 N/A SER 113.A OG GLY 202.A O no hydrogen 2.737 N/A ASN 114.A N TRP 111.A O no hydrogen 2.851 N/A ASN 114.A ND2 LEU 108.A O no hydrogen 2.773 N/A ALA 115.A N PRO 112.A O no hydrogen 2.972 N/A SER 116.A OG THR 290.A OG1 no hydrogen 2.885 N/A LEU 117.A N ASN 114.A O no hydrogen 2.970 N/A LYS 119.A N SER 116.A O no hydrogen 3.212 N/A LYS 119.A NZ ASP 118.A OD2 no hydrogen 2.679 N/A ALA 120.A N SER 116.A O no hydrogen 3.231 N/A ARG 121.A N LEU 117.A O no hydrogen 2.767 N/A ARG 121.A NH1 GLN 103.A OE1 no hydrogen 2.939 N/A ARG 122.A N ASP 118.A O no hydrogen 3.115 N/A ARG 122.A NH1 MET 272.A O no hydrogen 3.225 N/A ARG 122.A NH2 MET 272.A O no hydrogen 2.803 N/A LEU 123.A N LYS 119.A O no hydrogen 3.171 N/A LEU 124.A N ARG 121.A O no hydrogen 3.068 N/A TRP 125.A N ARG 122.A O no hydrogen 2.953 N/A VAL 127.A N LEU 124.A O no hydrogen 2.768 N/A LYS 128.A N LEU 124.A O no hydrogen 3.237 N/A LYS 128.A NZ GLY 132.A O no hydrogen 3.175 N/A LYS 128.A NZ LEU 135.A O no hydrogen 2.802 N/A LYS 129.A N TRP 125.A O no hydrogen 2.771 N/A LYS 130.A NZ ASP 55.A OD1 no hydrogen 3.210 N/A LYS 130.A NZ ASP 55.A OD2 no hydrogen 3.189 N/A TYR 131.A N VAL 127.A O no hydrogen 3.112 N/A TYR 131.A OH ASP 55.A OD2 no hydrogen 2.633 N/A GLY 132.A N LYS 128.A O no hydrogen 2.693 N/A LYS 133.A NZ GLU 43.A OE1 no hydrogen 3.006 N/A LYS 134.A N TYR 131.A O no hydrogen 3.286 N/A LYS 134.A NZ THR 46.A OG1 no hydrogen 2.858 N/A LEU 135.A N GLY 132.A O no hydrogen 3.151 N/A SER 136.A N TYR 40.A OH no hydrogen 2.631 N/A SER 136.A OG TYR 40.A OH no hydrogen 2.782 N/A SER 136.A OG ARG 163.A O no hydrogen 2.549 N/A TRP 137.A N ASP 165.A OD2 no hydrogen 2.622 N/A ALA 138.A N ASP 165.A OD1 no hydrogen 3.135 N/A ASP 139.A N SER 136.A OG no hydrogen 2.838 N/A LEU 140.A N SER 136.A O no hydrogen 2.921 N/A ILE 141.A N TRP 137.A O no hydrogen 2.762 N/A PHE 143.A N ASP 139.A O no hydrogen 2.922 N/A ALA 144.A N LEU 140.A O no hydrogen 2.831 N/A ASN 146.A N VAL 142.A O no hydrogen 3.185 N/A ASN 146.A ND2 THR 156.A OG1 no hydrogen 3.365 N/A CYS 147.A N PHE 143.A O no hydrogen 2.726 N/A CYS 147.A SG PHE 143.A O no hydrogen 3.203 N/A ALA 148.A N ALA 144.A O no hydrogen 2.779 N/A LEU 149.A N GLY 145.A O no hydrogen 3.188 N/A GLU 150.A N ASN 146.A O no hydrogen 3.265 N/A SER 151.A N CYS 147.A O no hydrogen 2.757 N/A MET 152.A N ALA 148.A O no hydrogen 2.983 N/A GLY 153.A N GLU 150.A O no hydrogen 3.023 N/A PHE 154.A N LEU 149.A O no hydrogen 2.885 N/A THR 156.A N GLU 150.A OE2 no hydrogen 2.876 N/A THR 156.A OG1 GLU 150.A OE2 no hydrogen 2.579 N/A PHE 159.A N LEU 406.A O no hydrogen 2.849 N/A GLY 160.A N HIS 393.A NE2 no hydrogen 3.211 N/A PHE 161.A N LEU 403.A O no hydrogen 2.910 N/A GLY 162.A N ASP 139.A OD2 no hydrogen 2.988 N/A ARG 163.A N ASP 139.A OD1 no hydrogen 3.085 N/A ARG 163.A NH1 ASP 139.A OD1 no hydrogen 2.697 N/A ARG 163.A NH1 GLY 160.A O no hydrogen 2.816 N/A ARG 163.A NH2 GLY 160.A O no hydrogen 3.523 N/A ARG 163.A NH2 ILE 392.A O no hydrogen 2.983 N/A GLU 171.A N GLN 26.A OE1 no hydrogen 3.033 N/A TYR 173.A OH GLU 193.A OE2 no hydrogen 2.911 N/A LYS 176.A NZ GLU 184.A O no hydrogen 3.438 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.898 N/A LEU 181.A N MET 201.A O no hydrogen 2.727 N/A GLY 182.A N THR 179.A O no hydrogen 3.152 N/A GLU 184.A N GLU 177.A OE2 no hydrogen 2.884 N/A ARG 185.A N ASP 183.A OD1 no hydrogen 3.309 N/A ARG 185.A NE GLU 177.A OE2 no hydrogen 2.805 N/A ARG 185.A NH1 ALA 198.A O no hydrogen 2.765 N/A ARG 185.A NH2 TRP 174.A O no hydrogen 3.174 N/A ARG 185.A NH2 GLU 177.A OE1 no hydrogen 2.741 N/A ARG 185.A NH2 GLU 177.A OE2 no hydrogen 3.535 N/A SER 187.A N ASP 191.A O no hydrogen 2.995 N/A ARG 190.A NE ASP 223.A OD1 no hydrogen 2.825 N/A ARG 190.A NH2 ASP 223.A OD1 no hydrogen 3.486 N/A ARG 190.A NH2 ASP 223.A OD2 no hydrogen 2.949 N/A ASP 191.A N SER 187.A O no hydrogen 2.792 N/A GLU 193.A N ARG 185.A O no hydrogen 2.746 N/A LEU 196.A N GLU 193.A O no hydrogen 3.157 N/A VAL 199.A N TYR 205.A O no hydrogen 2.896 N/A GLN 200.A NE2 LEU 181.A O no hydrogen 2.870 N/A MET 201.A N GLY 182.A O no hydrogen 2.932 N/A LEU 203.A N GLN 200.A O no hydrogen 3.296 N/A ASN 207.A ND2 GLN 200.A OE1 no hydrogen 2.872 N/A GLU 209.A N ASN 207.A OD1 no hydrogen 2.864 N/A GLY 210.A N ASN 207.A O no hydrogen 3.066 N/A GLY 213.A N GLY 210.A O no hydrogen 2.830 N/A ASN 214.A N PRO 211.A O no hydrogen 2.931 N/A ASP 216.A N ASN 214.A O no hydrogen 2.850 N/A ALA 219.A N ASP 216.A OD1 no hydrogen 2.764 N/A ALA 220.A N ASP 216.A O no hydrogen 3.081 N/A ALA 221.A N PRO 217.A O no hydrogen 3.031 N/A VAL 222.A N ALA 219.A O no hydrogen 2.671 N/A ILE 224.A N ALA 220.A O no hydrogen 2.865 N/A ARG 225.A N ALA 221.A O no hydrogen 2.759 N/A ARG 225.A NE ASP 235.A OD1 no hydrogen 2.689 N/A ARG 225.A NH1 ASP 363.A OD2 no hydrogen 3.126 N/A ARG 225.A NH2 ASP 235.A OD1 no hydrogen 3.317 N/A ARG 225.A NH2 ASP 363.A OD1 no hydrogen 2.891 N/A GLU 226.A N VAL 222.A O no hydrogen 3.160 N/A THR 227.A N ASP 223.A O no hydrogen 2.865 N/A THR 227.A OG1 ASP 223.A O no hydrogen 2.798 N/A THR 227.A OG1 ILE 224.A O no hydrogen 3.326 N/A PHE 228.A N ILE 224.A O no hydrogen 2.966 N/A ARG 229.A N ARG 225.A O no hydrogen 3.045 N/A ARG 229.A NE GLU 226.A OE1 no hydrogen 2.742 N/A ARG 229.A NH2 GLU 226.A OE2 no hydrogen 3.049 N/A ARG 230.A N GLU 226.A O no hydrogen 3.081 N/A ARG 230.A NE GLU 226.A OE2 no hydrogen 2.880 N/A ARG 230.A NH1 LEU 192.A O no hydrogen 3.028 N/A ARG 230.A NH1 GLU 193.A O no hydrogen 3.143 N/A ARG 230.A NH1 LEU 196.A O no hydrogen 2.967 N/A ARG 230.A NH2 LEU 192.A O no hydrogen 2.764 N/A ARG 230.A NH2 GLU 226.A OE2 no hydrogen 3.277 N/A MET 231.A N PHE 228.A O no hydrogen 2.909 N/A ALA 232.A N ARG 229.A O no hydrogen 2.899 N/A MET 233.A N PHE 228.A O no hydrogen 2.950 N/A ASN 234.A N GLU 237.A OE1 no hydrogen 2.874 N/A THR 238.A N ASN 234.A O no hydrogen 2.937 N/A THR 238.A OG1 ASN 234.A O no hydrogen 2.823 N/A ALA 239.A N ASP 235.A O no hydrogen 3.062 N/A ALA 240.A N VAL 236.A O no hydrogen 2.880 N/A LEU 241.A N GLU 237.A O no hydrogen 2.939 N/A ILE 242.A N THR 238.A O no hydrogen 3.061 N/A VAL 243.A N ALA 239.A O no hydrogen 3.020 N/A GLY 244.A N ALA 240.A O no hydrogen 3.068 N/A GLY 245.A N LEU 241.A O no hydrogen 3.171 N/A HIS 246.A N ILE 242.A O no hydrogen 2.993 N/A HIS 246.A ND1 ASP 357.A OD1 no hydrogen 3.015 N/A THR 247.A N VAL 243.A O no hydrogen 2.879 N/A THR 247.A OG1 VAL 243.A O no hydrogen 2.654 N/A PHE 248.A N GLY 245.A O no hydrogen 2.978 N/A GLY 249.A N PRO 301.A O no hydrogen 2.869 N/A LYS 250.A NZ THR 251.A O no hydrogen 2.555 N/A LYS 250.A NZ GLU 294.A OE2 no hydrogen 2.725 N/A THR 251.A N VAL 295.A O no hydrogen 2.976 N/A THR 251.A OG1 ILE 293.A O no hydrogen 2.349 N/A THR 251.A OG1 VAL 295.A O no hydrogen 3.431 N/A HIS 252.A NE2 ASP 70.A OD2 no hydrogen 3.006 N/A GLY 253.A N GLU 294.A OE1 no hydrogen 2.588 N/A ALA 254.A N ALA 288.A O no hydrogen 3.133 N/A LEU 259.A N PRO 256.A O no hydrogen 3.473 N/A GLY 261.A N LYS 277.A O no hydrogen 2.837 N/A GLU 263.A N GLU 263.A OE1 no hydrogen 2.743 N/A GLU 265.A N SER 110.A OG no hydrogen 3.213 N/A ALA 266.A N GLU 263.A O no hydrogen 2.684 N/A ALA 267.A N PRO 264.A O no hydrogen 3.186 N/A GLU 270.A N GLU 270.A OE1 no hydrogen 2.677 N/A GLN 271.A N PRO 268.A O no hydrogen 3.357 N/A MET 272.A N LEU 269.A O no hydrogen 3.076 N/A LEU 274.A N GLN 271.A O no hydrogen 3.303 N/A GLY 275.A N ASP 118.A OD2 no hydrogen 3.037 N/A TRP 276.A N PRO 262.A O no hydrogen 2.746 N/A SER 279.A N LEU 259.A O no hydrogen 2.966 N/A THR 282.A N ASP 287.A OD2 no hydrogen 2.633 N/A THR 282.A OG1 THR 284.A O no hydrogen 3.005 N/A THR 282.A OG1 ASP 287.A OD2 no hydrogen 3.301 N/A GLY 283.A N TYR 280.A O no hydrogen 2.840 N/A ASP 287.A N THR 284.A O no hydrogen 2.745 N/A ALA 288.A N GLY 285.A O no hydrogen 2.975 N/A THR 290.A N HIS 252.A O no hydrogen 2.873 N/A THR 290.A OG1 SER 116.A OG no hydrogen 2.885 N/A GLY 292.A N HIS 252.A O no hydrogen 3.033 N/A ILE 293.A N SER 291.A OG no hydrogen 3.111 N/A VAL 295.A N THR 251.A OG1 no hydrogen 2.593 N/A VAL 296.A N THR 352.A OG1 no hydrogen 3.236 N/A TRP 297.A NE1 ASP 357.A OD2 no hydrogen 2.727 N/A THR 298.A OG1 THR 247.A O no hydrogen 3.012 N/A THR 300.A OG1 ASP 305.A OD1 no hydrogen 2.997 N/A THR 300.A OG1 ASP 305.A OD2 no hydrogen 2.650 N/A LYS 303.A N THR 300.A O no hydrogen 2.983 N/A TRP 304.A N MET 152.A O no hydrogen 3.122 N/A SER 307.A N ASP 305.A OD1 no hydrogen 3.035 N/A SER 307.A OG ASN 299.A OD1 no hydrogen 2.865 N/A SER 307.A OG ASP 305.A OD1 no hydrogen 3.166 N/A GLU 310.A N ASN 306.A O no hydrogen 3.016 N/A ILE 311.A N SER 307.A O no hydrogen 2.799 N/A LEU 312.A N PHE 308.A O no hydrogen 2.991 N/A TYR 313.A N LEU 309.A O no hydrogen 3.097 N/A TYR 313.A OH THR 370.A OG1 no hydrogen 2.715 N/A TRP 317.A NE1 LEU 312.A O no hydrogen 2.846 N/A GLU 318.A N THR 330.A O no hydrogen 2.927 N/A THR 320.A N GLN 328.A O no hydrogen 2.900 N/A LYS 321.A N THR 320.A OG1 no hydrogen 2.683 N/A LYS 321.A NZ GLY 325.A O no hydrogen 3.227 N/A SER 322.A N ALA 326.A O no hydrogen 2.871 N/A SER 322.A OG GLY 292.A O no hydrogen 2.568 N/A SER 322.A OG ALA 326.A O no hydrogen 3.411 N/A ALA 324.A N SER 322.A OG no hydrogen 3.407 N/A GLY 325.A N SER 322.A O no hydrogen 2.817 N/A ALA 326.A N SER 322.A OG no hydrogen 2.930 N/A TRP 327.A N GLU 209.A OE2 no hydrogen 2.679 N/A GLN 328.A N THR 320.A O no hydrogen 3.375 N/A TYR 329.A N MET 353.A O no hydrogen 2.835 N/A TYR 329.A OH PRO 215.A O no hydrogen 2.631 N/A THR 330.A N GLU 318.A O no hydrogen 3.030 N/A THR 330.A OG1 PRO 351.A O no hydrogen 2.841 N/A LYS 332.A N GLU 316.A O no hydrogen 2.766 N/A ALA 335.A N LYS 332.A O no hydrogen 3.178 N/A THR 339.A N GLY 336.A O no hydrogen 3.206 N/A THR 339.A OG1 GLY 336.A O no hydrogen 2.825 N/A ILE 340.A N ARG 349.A O no hydrogen 2.980 N/A PHE 344.A N ASP 342.A OD2 no hydrogen 2.981 N/A GLY 346.A N ASP 342.A OD2 no hydrogen 3.222 N/A ARG 349.A N ILE 340.A O no hydrogen 2.685 N/A ARG 349.A NH1 ASP 342.A OD1 no hydrogen 2.935 N/A ARG 349.A NH2 GLU 294.A OE2 no hydrogen 2.844 N/A THR 352.A OG1 VAL 296.A O no hydrogen 3.252 N/A THR 352.A OG1 SER 350.A O no hydrogen 3.451 N/A MET 353.A N TYR 329.A O no hydrogen 2.907 N/A LEU 354.A N ASP 357.A OD2 no hydrogen 2.865 N/A ASP 357.A N LEU 354.A O no hydrogen 3.157 N/A LEU 358.A N LEU 354.A O no hydrogen 3.204 N/A SER 359.A N ALA 355.A O no hydrogen 3.284 N/A SER 359.A OG PRO 217.A O no hydrogen 2.831 N/A SER 359.A OG ALA 355.A O no hydrogen 3.555 N/A LEU 360.A N ASP 357.A O no hydrogen 3.110 N/A ARG 361.A N LEU 358.A O no hydrogen 2.934 N/A ARG 361.A NH1 LEU 312.A O no hydrogen 2.836 N/A ARG 361.A NH1 TYR 315.A O no hydrogen 2.746 N/A ARG 361.A NH2 GLU 316.A OE2 no hydrogen 2.600 N/A VAL 362.A N LEU 358.A O no hydrogen 2.953 N/A ASP 363.A N SER 359.A O no hydrogen 2.956 N/A TYR 366.A N ASP 363.A OD1 no hydrogen 2.914 N/A GLU 367.A N ASP 363.A O no hydrogen 2.699 N/A ARG 368.A N PRO 364.A O no hydrogen 3.279 N/A ILE 369.A N ILE 365.A O no hydrogen 3.296 N/A ILE 369.A N TYR 366.A O no hydrogen 3.025 N/A THR 370.A N TYR 366.A O no hydrogen 2.913 N/A THR 370.A OG1 TYR 313.A OH no hydrogen 2.715 N/A THR 370.A OG1 LEU 360.A O no hydrogen 2.838 N/A THR 370.A OG1 TYR 366.A O no hydrogen 2.823 N/A THR 370.A OG1 GLU 367.A O no hydrogen 3.296 N/A ARG 371.A N GLU 367.A O no hydrogen 2.908 N/A ARG 372.A NE GLU 379.A OE1 no hydrogen 2.981 N/A ARG 372.A NH2 GLU 379.A OE2 no hydrogen 2.915 N/A TRP 373.A N ILE 369.A O no hydrogen 3.318 N/A LEU 374.A N THR 370.A O no hydrogen 2.850 N/A GLU 375.A N ARG 372.A O no hydrogen 3.129 N/A HIS 376.A N TRP 373.A O no hydrogen 3.269 N/A GLU 378.A N GLU 378.A OE1 no hydrogen 2.599 N/A GLU 379.A N HIS 376.A O no hydrogen 2.940 N/A ALA 381.A N PRO 377.A O no hydrogen 2.909 N/A ASP 382.A N GLU 378.A O no hydrogen 3.248 N/A GLU 383.A N GLU 379.A O no hydrogen 3.013 N/A PHE 384.A N LEU 380.A O no hydrogen 2.858 N/A ALA 385.A N ALA 381.A O no hydrogen 3.085 N/A ALA 385.A N ASP 382.A O no hydrogen 3.179 N/A LYS 386.A N ASP 382.A O no hydrogen 3.261 N/A LYS 386.A NZ GLU 383.A OE2 no hydrogen 3.321 N/A ALA 387.A N GLU 383.A O no hydrogen 3.138 N/A TRP 388.A N PHE 384.A O no hydrogen 2.880 N/A TRP 388.A NE1 ASN 146.A OD1 no hydrogen 3.063 N/A TYR 389.A N ALA 385.A O no hydrogen 3.008 N/A LYS 390.A N LYS 386.A O no hydrogen 3.013 N/A LYS 390.A NZ ALA 232.A O no hydrogen 2.697 N/A LYS 390.A NZ GLU 237.A OE2 no hydrogen 3.048 N/A LEU 391.A N ALA 387.A O no hydrogen 2.864 N/A ILE 392.A N TRP 388.A O no hydrogen 3.094 N/A HIS 393.A N LYS 390.A O no hydrogen 3.239 N/A HIS 393.A ND1 TYR 389.A O no hydrogen 2.837 N/A ARG 394.A NH1 ARG 394.A O no hydrogen 3.122 N/A MET 396.A N HIS 393.A O no hydrogen 3.165 N/A ARG 401.A N PRO 398.A O no hydrogen 3.062 N/A ARG 401.A NH1 MET 396.A O no hydrogen 2.763 N/A TYR 402.A N VAL 399.A O no hydrogen 2.669 N/A LEU 403.A N PHE 161.A O no hydrogen 2.811 N/A LEU 412.A N GLN 415.A OE1 no hydrogen 3.292 N/A GLN 415.A N LEU 412.A O no hydrogen 3.105 N/A ASP 416.A N LEU 413.A O no hydrogen 2.994 N/A ASP 424.A N ASN 511.A O no hydrogen 3.076 N/A GLY 427.A N GLU 430.A OE1 no hydrogen 2.857 N/A GLU 430.A N GLU 430.A OE1 no hydrogen 2.789 N/A ILE 431.A N GLY 427.A O no hydrogen 3.134 N/A ALA 432.A N GLU 428.A O no hydrogen 2.997 N/A SER 433.A N ALA 429.A O no hydrogen 2.909 N/A LEU 434.A N GLU 430.A O no hydrogen 2.714 N/A LYS 435.A N ILE 431.A O no hydrogen 2.913 N/A LYS 435.A NZ GLU 529.A OE1 no hydrogen 3.545 N/A LYS 435.A NZ GLU 529.A OE2 no hydrogen 2.921 N/A SER 436.A N ALA 432.A O no hydrogen 3.266 N/A SER 436.A OG ALA 432.A O no hydrogen 3.499 N/A GLN 437.A N SER 433.A O no hydrogen 3.119 N/A ILE 438.A N LEU 434.A O no hydrogen 3.018 N/A ARG 439.A N LYS 435.A O no hydrogen 2.950 N/A ALA 440.A N SER 436.A O no hydrogen 3.081 N/A ALA 440.A N GLN 437.A O no hydrogen 3.269 N/A SER 441.A N ILE 438.A O no hydrogen 2.929 N/A SER 441.A OG ILE 438.A O no hydrogen 2.655 N/A LEU 443.A N SER 441.A OG no hydrogen 3.288 N/A THR 444.A N GLN 447.A OE1 no hydrogen 2.507 N/A SER 446.A N GLU 627.A OE2 no hydrogen 3.195 N/A SER 446.A OG GLY 611.A O no hydrogen 2.788 N/A GLN 447.A N THR 444.A OG1 no hydrogen 3.009 N/A GLN 447.A NE2 ASP 489.A OD2 no hydrogen 2.999 N/A LEU 448.A N THR 444.A O no hydrogen 2.991 N/A VAL 449.A N VAL 445.A O no hydrogen 2.981 N/A SER 450.A N SER 446.A O no hydrogen 2.901 N/A SER 450.A OG SER 446.A O no hydrogen 2.977 N/A THR 451.A N GLN 447.A O no hydrogen 3.000 N/A THR 451.A OG1 GLN 447.A O no hydrogen 2.644 N/A ALA 452.A N LEU 448.A O no hydrogen 3.174 N/A TRP 453.A N VAL 449.A O no hydrogen 2.957 N/A TRP 453.A NE1 ASP 568.A OD2 no hydrogen 3.120 N/A ALA 454.A N SER 450.A O no hydrogen 2.781 N/A ALA 455.A N THR 451.A O no hydrogen 3.130 N/A ALA 456.A N ALA 452.A O no hydrogen 3.044 N/A SER 457.A N TRP 453.A O no hydrogen 2.877 N/A SER 457.A OG TRP 453.A O no hydrogen 2.791 N/A SER 458.A N ALA 455.A O no hydrogen 3.306 N/A SER 458.A OG ALA 455.A O no hydrogen 2.676 N/A PHE 459.A N ALA 456.A O no hydrogen 3.220 N/A ARG 460.A N ARG 465.A O no hydrogen 3.084 N/A ARG 460.A NE ASP 463.A OD1 no hydrogen 2.899 N/A ARG 460.A NE ASP 463.A OD2 no hydrogen 3.292 N/A ARG 460.A NH1 ILE 91.A O no hydrogen 3.002 N/A ARG 460.A NH2 ILE 91.A O no hydrogen 3.029 N/A ARG 460.A NH2 ASP 463.A OD2 no hydrogen 2.718 N/A GLY 461.A N LEU 592.A O no hydrogen 2.658 N/A SER 462.A OG ASP 93.A O no hydrogen 2.798 N/A ARG 465.A N ASP 463.A OD1 no hydrogen 3.312 N/A ARG 465.A NE ASP 416.A OD2 no hydrogen 3.113 N/A ARG 465.A NH1 SER 559.A O no hydrogen 3.104 N/A ARG 465.A NH2 ASP 416.A OD1 no hydrogen 3.569 N/A ARG 465.A NH2 ASP 416.A OD2 no hydrogen 2.983 N/A ARG 465.A NH2 SER 559.A O no hydrogen 3.419 N/A GLY 467.A N SER 458.A OG no hydrogen 2.920 N/A ASN 469.A N ASP 711.A OD2 no hydrogen 2.786 N/A GLY 470.A N ASN 469.A OD1 no hydrogen 2.965 N/A GLY 470.A N THR 548.A O no hydrogen 3.114 N/A GLY 471.A N ALA 468.A O no hydrogen 3.155 N/A ARG 472.A NH1 ASP 416.A O no hydrogen 3.178 N/A ARG 472.A NH1 PRO 417.A O no hydrogen 3.381 N/A ARG 472.A NH2 PRO 417.A O no hydrogen 3.434 N/A ARG 474.A NH1 GLU 498.A OE2 no hydrogen 3.009 N/A LEU 475.A N ARG 472.A O no hydrogen 3.025 N/A GLN 476.A N GLN 552.A OE1 no hydrogen 2.912 N/A VAL 479.A N LEU 475.A O no hydrogen 2.896 N/A GLY 480.A N PRO 477.A O no hydrogen 2.812 N/A GLU 482.A N GLU 564.A OE2 no hydrogen 3.320 N/A ASN 484.A ND2 GLN 478.A O no hydrogen 2.796 N/A ASP 485.A N TRP 481.A O no hydrogen 2.774 N/A ARG 491.A N ASP 489.A O no hydrogen 2.549 N/A ILE 494.A N LEU 490.A O no hydrogen 2.774 N/A ARG 495.A N ARG 491.A O no hydrogen 3.080 N/A THR 496.A N LYS 492.A O no hydrogen 3.139 N/A THR 496.A OG1 LYS 492.A O no hydrogen 3.053 N/A LEU 497.A N VAL 493.A O no hydrogen 3.092 N/A GLU 498.A N ILE 494.A O no hydrogen 2.879 N/A GLU 499.A N ARG 495.A O no hydrogen 2.969 N/A ILE 500.A N THR 496.A O no hydrogen 3.114 N/A GLN 501.A N LEU 497.A O no hydrogen 2.949 N/A GLN 501.A NE2 VAL 514.A O no hydrogen 3.151 N/A GLN 501.A NE2 ASP 549.A OD2 no hydrogen 3.516 N/A GLU 502.A N GLU 498.A O no hydrogen 2.967 N/A SER 503.A N GLU 499.A O no hydrogen 3.040 N/A SER 503.A OG GLU 499.A O no hydrogen 3.233 N/A PHE 504.A N ILE 500.A O no hydrogen 3.113 N/A ASN 505.A N GLN 501.A O no hydrogen 2.892 N/A ASN 505.A ND2 VAL 514.A O no hydrogen 3.299 N/A SER 506.A N GLU 502.A O no hydrogen 2.666 N/A SER 506.A OG GLU 502.A O no hydrogen 3.409 N/A SER 506.A OG GLU 502.A OE2 no hydrogen 3.369 N/A ALA 507.A N SER 503.A O no hydrogen 3.233 N/A ALA 507.A N PHE 504.A O no hydrogen 3.309 N/A ASN 511.A ND2 HIS 423.A ND1 no hydrogen 3.192 N/A LYS 513.A N ASP 424.A O no hydrogen 3.129 N/A LYS 513.A NZ ASN 505.A O no hydrogen 2.978 N/A VAL 514.A N ASN 505.A OD1 no hydrogen 3.112 N/A SER 515.A OG ARG 547.A O no hydrogen 2.574 N/A PHE 516.A N ASP 549.A OD2 no hydrogen 2.895 N/A ALA 517.A N ASP 549.A OD1 no hydrogen 2.736 N/A ASP 518.A N SER 515.A OG no hydrogen 3.087 N/A LEU 519.A N SER 515.A O no hydrogen 3.394 N/A VAL 520.A N PHE 516.A O no hydrogen 3.155 N/A LEU 522.A N ASP 518.A O no hydrogen 2.878 N/A GLY 523.A N LEU 519.A O no hydrogen 2.709 N/A CYS 525.A N VAL 521.A O no hydrogen 3.232 N/A CYS 525.A SG VAL 521.A O no hydrogen 3.314 N/A CYS 525.A SG PRO 542.A O no hydrogen 3.819 N/A ALA 526.A N LEU 522.A O no hydrogen 2.967 N/A ALA 527.A N GLY 523.A O no hydrogen 2.909 N/A ILE 528.A N GLY 524.A O no hydrogen 2.954 N/A GLU 529.A N CYS 525.A O no hydrogen 2.835 N/A LYS 530.A N ALA 526.A O no hydrogen 2.871 N/A ALA 531.A N ALA 527.A O no hydrogen 3.026 N/A ALA 532.A N ILE 528.A O no hydrogen 2.974 N/A LYS 533.A N GLU 529.A O no hydrogen 3.330 N/A ALA 534.A N LYS 530.A O no hydrogen 3.009 N/A ALA 535.A N ALA 531.A O no hydrogen 3.325 N/A ALA 535.A N ALA 532.A O no hydrogen 3.181 N/A GLY 536.A N LYS 533.A O no hydrogen 2.597 N/A HIS 537.A N ALA 532.A O no hydrogen 2.725 N/A HIS 537.A ND1 ALA 535.A O no hydrogen 3.073 N/A VAL 541.A N GLU 529.A OE2 no hydrogen 2.842 N/A GLY 546.A N ASP 518.A OD2 no hydrogen 2.870 N/A ARG 547.A N ASP 518.A OD1 no hydrogen 3.116 N/A ARG 547.A NH1 ASP 518.A OD1 no hydrogen 2.889 N/A ARG 547.A NH2 MET 708.A O no hydrogen 3.212 N/A THR 548.A N ASN 469.A OD1 no hydrogen 2.824 N/A THR 548.A OG1 PRO 419.A O no hydrogen 2.889 N/A ALA 550.A N GLY 470.A O no hydrogen 2.755 N/A SER 551.A OG GLU 553.A OE1 no hydrogen 3.539 N/A SER 551.A OG GLN 554.A OE1 no hydrogen 3.132 N/A GLN 552.A NE2 GLN 476.A O no hydrogen 3.307 N/A GLN 552.A NE2 GLN 552.A O no hydrogen 3.325 N/A GLN 552.A NE2 THR 555.A O no hydrogen 3.671 N/A GLN 554.A N SER 551.A OG no hydrogen 3.274 N/A THR 555.A N GLN 552.A O no hydrogen 3.016 N/A THR 555.A OG1 SER 551.A O no hydrogen 3.294 N/A SER 559.A N ASP 556.A OD1 no hydrogen 2.908 N/A PHE 560.A N ASP 556.A O no hydrogen 2.995 N/A ALA 561.A N GLU 558.A O no hydrogen 3.003 N/A LEU 563.A N PHE 560.A O no hydrogen 3.232 N/A GLU 564.A N ALA 561.A O no hydrogen 3.016 N/A ASP 568.A N TYR 573.A O no hydrogen 2.979 N/A PHE 570.A N ASP 568.A OD1 no hydrogen 3.029 N/A ARG 571.A N ASP 568.A O no hydrogen 2.884 N/A ARG 571.A NE ASP 568.A OD2 no hydrogen 2.637 N/A ARG 571.A NH1 ASN 484.A OD1 no hydrogen 3.058 N/A ARG 571.A NH2 ASP 568.A OD2 no hydrogen 3.014 N/A ASN 572.A N GLY 569.A O no hydrogen 3.247 N/A ASN 572.A ND2 LEU 619.A O no hydrogen 3.415 N/A ASN 572.A ND2 ASP 671.A OD1 no hydrogen 3.325 N/A ASN 572.A ND2 ASP 671.A OD2 no hydrogen 3.047 N/A TYR 573.A N ASP 568.A O no hydrogen 3.160 N/A GLY 575.A N LYS 566.A O no hydrogen 3.031 N/A ASN 578.A ND2 LYS 566.A O no hydrogen 3.420 N/A GLU 583.A N GLU 583.A OE1 no hydrogen 2.914 N/A TYR 584.A N PRO 581.A O no hydrogen 3.132 N/A TYR 584.A OH ASN 17.A O no hydrogen 2.312 N/A MET 585.A N PRO 581.A O no hydrogen 3.290 N/A LEU 586.A N ALA 582.A O no hydrogen 2.946 N/A LEU 587.A N GLU 583.A O no hydrogen 3.339 N/A ASP 588.A N TYR 584.A O no hydrogen 3.052 N/A LYS 589.A N MET 585.A O no hydrogen 3.090 N/A LYS 589.A NZ SER 457.A O no hydrogen 2.996 N/A ALA 590.A N LEU 586.A O no hydrogen 2.882 N/A ASN 591.A N LEU 587.A O no hydrogen 2.796 N/A LEU 592.A N ASP 588.A O no hydrogen 2.935 N/A LEU 593.A N LYS 589.A O no hydrogen 3.031 N/A LEU 593.A N ALA 590.A O no hydrogen 3.121 N/A THR 594.A N ASN 591.A O no hydrogen 2.834 N/A THR 594.A OG1 LEU 593.A O no hydrogen 2.541 N/A LEU 595.A N ALA 590.A O no hydrogen 2.944 N/A SER 596.A N GLU 599.A OE1 no hydrogen 3.095 N/A GLU 599.A N SER 596.A OG no hydrogen 3.412 N/A MET 600.A N SER 596.A O no hydrogen 2.762 N/A THR 601.A N ALA 597.A O no hydrogen 2.822 N/A THR 601.A OG1 ALA 597.A O no hydrogen 2.628 N/A VAL 602.A N PRO 598.A O no hydrogen 2.983 N/A LEU 603.A N GLU 599.A O no hydrogen 3.159 N/A VAL 604.A N MET 600.A O no hydrogen 3.168 N/A GLY 605.A N THR 601.A O no hydrogen 3.253 N/A GLY 606.A N VAL 602.A O no hydrogen 2.855 N/A LEU 607.A N LEU 603.A O no hydrogen 2.657 N/A ARG 608.A N VAL 604.A O no hydrogen 2.987 N/A ARG 608.A NE ASP 671.A OD1 no hydrogen 2.748 N/A ARG 608.A NH1 GLY 569.A O no hydrogen 2.941 N/A ARG 608.A NH2 GLY 569.A O no hydrogen 3.049 N/A ARG 608.A NH2 ASP 671.A OD1 no hydrogen 2.938 N/A LEU 610.A N GLY 606.A O no hydrogen 3.113 N/A GLY 611.A N LEU 607.A O no hydrogen 3.182 N/A GLY 611.A N ARG 608.A O no hydrogen 2.970 N/A ALA 612.A N LEU 607.A O no hydrogen 3.052 N/A ASN 613.A ND2 LEU 617.A O no hydrogen 3.071 N/A ASN 613.A ND2 LEU 619.A O no hydrogen 2.837 N/A TYR 614.A N ARG 571.A O no hydrogen 2.773 N/A TYR 614.A OH GLU 482.A OE2 no hydrogen 2.419 N/A ARG 616.A N ASN 613.A O no hydrogen 2.751 N/A LEU 617.A N TYR 614.A O no hydrogen 3.176 N/A GLY 620.A N THR 666.A O no hydrogen 2.898 N/A VAL 621.A N PRO 618.A O no hydrogen 2.917 N/A PHE 622.A N GLY 620.A O no hydrogen 2.705 N/A THR 623.A OG1 ASP 632.A OD2 no hydrogen 2.329 N/A ALA 625.A N THR 623.A OG1 no hydrogen 3.095 N/A LEU 629.A N ALA 531.A O no hydrogen 2.983 N/A ASN 631.A ND2 TYR 687.A O no hydrogen 3.111 N/A ASP 632.A N THR 630.A OG1 no hydrogen 3.200 N/A PHE 634.A N ASN 631.A O no hydrogen 2.826 N/A VAL 635.A N ASN 631.A O no hydrogen 3.314 N/A ASN 636.A N ASP 632.A O no hydrogen 2.919 N/A ASN 636.A ND2 PHE 622.A O no hydrogen 2.779 N/A ASN 636.A ND2 ASP 632.A O no hydrogen 3.258 N/A LEU 637.A N PHE 633.A O no hydrogen 2.968 N/A LEU 638.A N PHE 634.A O no hydrogen 3.073 N/A ASP 639.A N ASN 636.A O no hydrogen 3.166 N/A GLY 641.A N ASP 639.A OD1 no hydrogen 2.977 N/A ILE 642.A N ASP 639.A O no hydrogen 3.125 N/A THR 643.A N LYS 657.A O no hydrogen 2.906 N/A GLU 645.A N GLN 655.A O no hydrogen 3.030 N/A SER 647.A N THR 653.A O no hydrogen 2.757 N/A SER 647.A OG THR 653.A OG1 no hydrogen 2.669 N/A THR 653.A N ASP 651.A OD1 no hydrogen 3.087 N/A THR 653.A OG1 SER 647.A OG no hydrogen 2.669 N/A THR 653.A OG1 ASP 651.A OD1 no hydrogen 2.523 N/A TYR 654.A N GLY 667.A O no hydrogen 2.789 N/A GLN 655.A N GLU 645.A O no hydrogen 2.794 N/A GLY 656.A N TRP 665.A O no hydrogen 2.987 N/A LYS 657.A N THR 643.A O no hydrogen 3.012 N/A SER 660.A OG ASP 658.A OD1 no hydrogen 2.615 N/A SER 660.A OG ASP 658.A OD2 no hydrogen 3.209 N/A GLY 661.A N ASP 658.A O no hydrogen 3.090 N/A LYS 664.A N GLY 656.A O no hydrogen 2.869 N/A TRP 665.A N GLY 656.A O no hydrogen 3.179 N/A GLY 667.A N TYR 654.A O no hydrogen 3.129 N/A SER 668.A N ASP 671.A OD2 no hydrogen 2.694 N/A SER 668.A OG ASN 572.A OD1 no hydrogen 2.589 N/A SER 668.A OG ASP 671.A OD2 no hydrogen 3.065 N/A ARG 669.A NE GLU 583.A OE1 no hydrogen 2.928 N/A ARG 669.A NH2 GLU 583.A OE1 no hydrogen 3.089 N/A ARG 669.A NH2 GLU 583.A OE2 no hydrogen 2.812 N/A LEU 672.A N SER 668.A O no hydrogen 3.050 N/A VAL 673.A N ARG 669.A O no hydrogen 3.010 N/A GLY 675.A N LEU 672.A O no hydrogen 2.840 N/A SER 676.A N VAL 673.A O no hydrogen 3.121 N/A ASN 677.A N VAL 673.A O no hydrogen 2.955 N/A ARG 681.A N ASN 677.A O no hydrogen 2.884 N/A ARG 681.A NH1 GLY 675.A O no hydrogen 2.802 N/A ALA 682.A N SER 678.A O no hydrogen 3.380 N/A LEU 683.A N GLU 679.A O no hydrogen 3.381 N/A VAL 684.A N LEU 680.A O no hydrogen 3.060 N/A GLU 685.A N ARG 681.A O no hydrogen 2.937 N/A GLU 685.A N ALA 682.A O no hydrogen 3.302 N/A VAL 686.A N LEU 683.A O no hydrogen 2.923 N/A TYR 687.A N LEU 683.A O no hydrogen 3.252 N/A TYR 687.A OH ASP 699.A OD2 no hydrogen 3.281 N/A ALA 692.A N ALA 689.A O no hydrogen 3.407 N/A LYS 695.A NZ ASP 699.A OD2 no hydrogen 3.062 N/A PHE 696.A N ALA 692.A O no hydrogen 2.837 N/A VAL 697.A N GLN 693.A O no hydrogen 3.144 N/A GLN 698.A N PRO 694.A O no hydrogen 2.910 N/A ASP 699.A N LYS 695.A O no hydrogen 2.995 N/A PHE 700.A N PHE 696.A O no hydrogen 2.890 N/A VAL 701.A N VAL 697.A O no hydrogen 2.891 N/A ALA 702.A N GLN 698.A O no hydrogen 2.931 N/A ALA 703.A N ASP 699.A O no hydrogen 2.895 N/A TRP 704.A N PHE 700.A O no hydrogen 2.932 N/A ASP 705.A N VAL 701.A O no hydrogen 2.950 N/A LYS 706.A N ALA 702.A O no hydrogen 2.877 N/A LYS 706.A NZ THR 594.A O no hydrogen 2.813 N/A LYS 706.A NZ GLU 599.A OE1 no hydrogen 2.961 N/A VAL 707.A N ALA 703.A O no hydrogen 3.051 N/A MET 708.A N TRP 704.A O no hydrogen 3.006 N/A ASN 709.A N LYS 706.A O no hydrogen 3.140 N/A LEU 710.A N VAL 707.A O no hydrogen 3.457 N/A ARG 712.A N ASN 709.A O no hydrogen 2.932 N/A ARG 712.A NE ASP 714.A OD1 no hydrogen 2.859 N/A ARG 712.A NH1 THR 544.A O no hydrogen 2.715 N/A ARG 712.A NH2 PRO 545.A O no hydrogen 3.143 N/A ARG 712.A NH2 ASP 714.A OD1 no hydrogen 3.455 N/A ARG 712.A NH2 ASP 714.A OD2 no hydrogen 2.888 N/A VAL 715.A N ARG 712.A O no hydrogen 3.333 N/A ARG 716.A N PHE 713.A O no hydrogen 3.337 N/A ARG 716.A NH1 ASN 709.A O no hydrogen 2.892 N/A ARG 716.A NH2 LEU 710.A O no hydrogen 3.236 N/A