Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a0z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N MET 1.A O no hydrogen 3.490 N/A THR 5.A OG1 GLU 311.A OE2 no hydrogen 3.039 N/A ARG 7.A NE GLU 311.A OE2 no hydrogen 2.750 N/A ARG 7.A NH1 ASP 64.A O no hydrogen 3.346 N/A ARG 7.A NH1 GLU 240.A OE1 no hydrogen 2.978 N/A ARG 7.A NH2 GLU 311.A OE2 no hydrogen 3.107 N/A MET 8.A N THR 5.A OG1 no hydrogen 3.347 N/A GLN 9.A N THR 5.A O no hydrogen 3.060 N/A ARG 10.A N PRO 6.A O no hydrogen 2.951 N/A ARG 10.A NE PRO 6.A O no hydrogen 3.454 N/A LEU 11.A N ARG 7.A O no hydrogen 3.069 N/A ARG 12.A N MET 8.A O no hydrogen 2.722 N/A ARG 12.A NE VAL 371.A O no hydrogen 2.755 N/A ARG 12.A NH1 ASP 718.A OD1 no hydrogen 3.190 N/A ARG 12.A NH2 VAL 371.A O no hydrogen 3.126 N/A ARG 12.A NH2 LYS 372.A O no hydrogen 2.795 N/A ASN 13.A N GLN 9.A O no hydrogen 2.572 N/A HIS 14.A N ARG 10.A O no hydrogen 2.724 N/A HIS 14.A NE2 GLN 62.A OE1 no hydrogen 2.602 N/A TYR 15.A N LEU 11.A O no hydrogen 2.997 N/A LEU 16.A N ARG 12.A O no hydrogen 3.245 N/A THR 17.A N HIS 14.A O no hydrogen 2.939 N/A THR 17.A OG1 HIS 14.A O no hydrogen 2.597 N/A VAL 18.A N TYR 15.A O no hydrogen 3.461 N/A SER 21.A N ARG 76.A O no hydrogen 2.929 N/A VAL 22.A N GLU 105.A O no hydrogen 2.996 N/A SER 23.A N GLY 78.A O no hydrogen 3.321 N/A SER 23.A OG GLY 78.A O no hydrogen 3.086 N/A ARG 26.A NE ILE 275.A O no hydrogen 2.560 N/A ARG 26.A NH1 ASP 83.A OD1 no hydrogen 3.082 N/A ARG 26.A NH2 ASP 83.A OD2 no hydrogen 3.031 N/A ARG 26.A NH2 GLU 276.A O no hydrogen 2.621 N/A LEU 28.A N ILE 24.A O no hydrogen 3.302 N/A ALA 29.A N TYR 25.A O no hydrogen 3.425 N/A PHE 30.A N ARG 26.A O no hydrogen 3.119 N/A THR 31.A N ALA 27.A O no hydrogen 2.875 N/A THR 31.A OG1 ALA 27.A O no hydrogen 2.749 N/A GLU 32.A N LEU 28.A O no hydrogen 2.876 N/A VAL 33.A N ALA 29.A O no hydrogen 3.221 N/A VAL 34.A N PHE 30.A O no hydrogen 2.667 N/A LYS 35.A N THR 31.A O no hydrogen 3.412 N/A ALA 36.A N GLU 32.A O no hydrogen 3.186 N/A ASN 37.A ND2 VAL 33.A O no hydrogen 3.482 N/A MET 40.A N ASN 37.A O no hydrogen 2.890 N/A LEU 44.A N PRO 41.A O no hydrogen 2.987 N/A LEU 45.A N PRO 41.A O no hydrogen 3.056 N/A ARG 46.A N THR 42.A O no hydrogen 2.669 N/A ARG 46.A NE PRO 522.A O no hydrogen 3.618 N/A ARG 46.A NH1 ASP 83.A OD2 no hydrogen 2.468 N/A ARG 46.A NH2 ASP 83.A OD2 no hydrogen 3.268 N/A ALA 47.A N ILE 43.A O no hydrogen 3.353 N/A LYS 48.A N LEU 44.A O no hydrogen 2.955 N/A ALA 49.A N LEU 45.A O no hydrogen 3.045 N/A PHE 50.A N ARG 46.A O no hydrogen 2.938 N/A ARG 51.A N ALA 47.A O no hydrogen 2.942 N/A HIS 52.A N LYS 48.A O no hydrogen 2.715 N/A ALA 53.A N ALA 49.A O no hydrogen 2.893 N/A CYS 54.A N PHE 50.A O no hydrogen 2.727 N/A CYS 54.A SG PHE 50.A O no hydrogen 3.604 N/A GLU 55.A N ARG 51.A O no hydrogen 2.743 N/A THR 56.A N HIS 52.A O no hydrogen 2.744 N/A THR 56.A OG1 HIS 52.A O no hydrogen 3.081 N/A GLN 62.A N GLU 65.A OE1 no hydrogen 3.186 N/A GLU 65.A N GLN 62.A O no hydrogen 3.488 N/A VAL 68.A N GLN 264.A OE1 no hydrogen 3.083 N/A CYS 72.A SG ALA 77.A O no hydrogen 3.014 N/A GLY 73.A N HIS 70.A O no hydrogen 2.846 N/A LYS 74.A NZ GLU 105.A OE1 no hydrogen 3.409 N/A ARG 76.A N GLU 322.A O no hydrogen 2.905 N/A ARG 76.A NH1 GLU 732.A OE2 no hydrogen 3.028 N/A ARG 76.A NH2 GLU 732.A OE1 no hydrogen 3.564 N/A ARG 76.A NH2 GLU 732.A OE2 no hydrogen 2.911 N/A PHE 80.A N SER 23.A O no hydrogen 3.016 N/A SER 81.A OG ALA 79.A O no hydrogen 3.469 N/A ILE 84.A N SER 81.A O no hydrogen 3.163 N/A ILE 84.A N ASP 83.A OD1 no hydrogen 2.970 N/A ALA 85.A N SER 81.A O no hydrogen 3.044 N/A TRP 86.A NE1 GLU 129.A OE1 no hydrogen 2.898 N/A ARG 90.A N TRP 86.A O no hydrogen 2.924 N/A ARG 90.A NH2 ASP 91.A OD1 no hydrogen 2.422 N/A ASP 91.A N ARG 87.A O no hydrogen 2.587 N/A GLU 92.A N TRP 88.A O no hydrogen 2.799 N/A THR 95.A N GLU 92.A O no hydrogen 2.830 N/A THR 95.A OG1 GLU 92.A O no hydrogen 3.249 N/A MET 96.A N GLU 92.A O no hydrogen 2.706 N/A ARG 99.A N THR 95.A O no hydrogen 2.904 N/A ARG 99.A NE GLN 101.A O no hydrogen 3.116 N/A ARG 99.A NH1 GLU 92.A OE1 no hydrogen 2.784 N/A ARG 99.A NH1 SER 327.A O no hydrogen 2.907 N/A ARG 99.A NH2 ASP 102.A O no hydrogen 2.926 N/A ARG 99.A NH2 SER 327.A O no hydrogen 2.991 N/A GLN 101.A NE2 ASP 102.A OD1 no hydrogen 2.736 N/A GLN 101.A NE2 GLU 732.A O no hydrogen 2.474 N/A PHE 104.A N MET 96.A O no hydrogen 2.921 N/A GLU 105.A N PRO 20.A O no hydrogen 3.100 N/A ASP 110.A N SER 107.A OG no hydrogen 2.975 N/A LYS 111.A N SER 107.A O no hydrogen 2.955 N/A LYS 111.A NZ ASP 94.A OD1 no hydrogen 2.869 N/A LYS 111.A NZ GLU 108.A OE2 no hydrogen 3.543 N/A LYS 112.A N GLU 108.A O no hydrogen 3.104 N/A THR 113.A N ALA 109.A O no hydrogen 3.190 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.783 N/A ILE 114.A N ASP 110.A O no hydrogen 2.768 N/A ARG 115.A N LYS 111.A O no hydrogen 2.909 N/A ARG 115.A NH2 ASP 94.A OD1 no hydrogen 3.515 N/A GLU 116.A N LYS 112.A O no hydrogen 3.022 N/A GLU 117.A N THR 113.A O no hydrogen 2.707 N/A ILE 118.A N THR 113.A O no hydrogen 2.975 N/A ILE 118.A N ILE 114.A O no hydrogen 3.045 N/A VAL 119.A N ILE 114.A O no hydrogen 2.744 N/A PHE 121.A N ILE 118.A O no hydrogen 3.100 N/A TRP 122.A N ILE 118.A O no hydrogen 3.505 N/A TRP 122.A NE1 THR 31.A OG1 no hydrogen 2.806 N/A GLY 124.A N GLU 129.A OE1 no hydrogen 3.000 N/A GLY 124.A N GLU 129.A OE2 no hydrogen 3.315 N/A ARG 125.A N TRP 122.A O no hydrogen 2.856 N/A SER 126.A N GLU 129.A OE1 no hydrogen 3.412 N/A SER 126.A OG GLU 129.A OE1 no hydrogen 2.804 N/A LEU 127.A N ASP 83.A O no hydrogen 2.939 N/A ASP 128.A N ILE 84.A O no hydrogen 2.756 N/A ILE 130.A N SER 126.A O no hydrogen 3.195 N/A CYS 131.A N LEU 127.A O no hydrogen 3.292 N/A CYS 131.A SG LEU 127.A O no hydrogen 3.221 N/A GLU 132.A N ASP 128.A O no hydrogen 3.311 N/A ALA 133.A N GLU 129.A O no hydrogen 3.201 N/A GLN 134.A N ILE 130.A O no hydrogen 3.022 N/A GLN 134.A N CYS 131.A O no hydrogen 2.738 N/A TYR 135.A N CYS 131.A O no hydrogen 2.595 N/A ARG 136.A N GLU 132.A O no hydrogen 3.026 N/A ARG 136.A NE GLU 132.A OE1 no hydrogen 2.643 N/A GLU 137.A N ALA 133.A O no hydrogen 3.190 N/A ALA 138.A N GLN 134.A O no hydrogen 2.811 N/A GLY 139.A N ARG 136.A O no hydrogen 2.797 N/A VAL 140.A N TYR 135.A O no hydrogen 2.837 N/A SER 144.A OG VAL 140.A O no hydrogen 2.882 N/A THR 147.A N ALA 142.A O no hydrogen 2.996 N/A THR 147.A OG1 ALA 142.A O no hydrogen 2.907 N/A VAL 149.A N PHE 143.A O no hydrogen 2.662 N/A SER 150.A N PHE 143.A O no hydrogen 3.264 N/A SER 150.A OG SER 506.A OG no hydrogen 2.947 N/A ASP 151.A N TYR 452.A O no hydrogen 2.794 N/A SER 153.A N ASP 151.A OD1 no hydrogen 2.898 N/A SER 153.A OG ASP 151.A OD1 no hydrogen 2.538 N/A SER 153.A OG ASP 151.A OD2 no hydrogen 3.380 N/A TYR 154.A OH ASP 162.A OD2 no hydrogen 2.399 N/A ILE 157.A N SER 153.A O no hydrogen 3.279 N/A GLY 159.A N ASN 278.A O no hydrogen 2.836 N/A GLY 160.A N GLU 277.A OE2 no hydrogen 3.063 N/A ASP 162.A N THR 280.A O no hydrogen 2.770 N/A THR 163.A OG1 ASP 162.A O no hydrogen 2.590 N/A THR 163.A OG1 GLN 446.A O no hydrogen 3.538 N/A CYS 164.A SG LEU 432.A O no hydrogen 3.379 N/A GLY 166.A N LEU 529.A O no hydrogen 2.799 N/A TYR 167.A N PRO 165.A O no hydrogen 2.911 N/A TYR 167.A OH GLU 270.A OE1 no hydrogen 2.261 N/A LEU 170.A N GLY 166.A O no hydrogen 3.349 N/A LEU 171.A N GLY 166.A O no hydrogen 3.095 N/A PHE 172.A N TYR 167.A O no hydrogen 2.696 N/A THR 173.A OG1 VAL 169.A O no hydrogen 2.809 N/A THR 173.A OG1 LEU 170.A O no hydrogen 3.557 N/A LYS 174.A N LEU 170.A O no hydrogen 3.146 N/A LYS 174.A NZ ASP 182.A OD2 no hydrogen 2.625 N/A GLY 175.A N LEU 171.A O no hydrogen 3.044 N/A MET 176.A N PRO 252.A O no hydrogen 3.051 N/A ASN 177.A N ALA 253.A O no hydrogen 2.772 N/A ASN 177.A ND2 ASN 254.A OD1 no hydrogen 3.255 N/A GLY 178.A N LYS 174.A O no hydrogen 3.048 N/A ILE 179.A N GLY 175.A O no hydrogen 3.073 N/A LYS 180.A N MET 176.A O no hydrogen 2.891 N/A LYS 180.A NZ GLU 212.A OE1 no hydrogen 2.613 N/A LYS 180.A NZ GLU 212.A OE2 no hydrogen 3.395 N/A ALA 181.A N ASN 177.A O no hydrogen 2.705 N/A ASP 182.A N GLY 178.A O no hydrogen 3.155 N/A ALA 183.A N ILE 179.A O no hydrogen 3.146 N/A GLU 184.A N LYS 180.A O no hydrogen 3.302 N/A ALA 185.A N ALA 181.A O no hydrogen 2.682 N/A HIS 186.A N ASP 182.A O no hydrogen 2.919 N/A HIS 186.A ND1 ASP 182.A O no hydrogen 3.109 N/A LEU 187.A N ALA 183.A O no hydrogen 2.752 N/A ALA 188.A N GLU 184.A O no hydrogen 2.950 N/A SER 189.A N HIS 186.A O no hydrogen 2.852 N/A SER 189.A OG HIS 186.A O no hydrogen 2.541 N/A LEU 190.A N LEU 187.A O no hydrogen 3.014 N/A SER 191.A N ASP 197.A OD2 no hydrogen 2.575 N/A SER 191.A OG GLU 193.A OE1 no hydrogen 2.597 N/A ASN 194.A N SER 191.A O no hydrogen 2.932 N/A ASP 197.A N ASN 194.A O no hydrogen 2.928 N/A ILE 201.A N ASP 197.A O no hydrogen 3.024 N/A TYR 202.A N ILE 198.A O no hydrogen 3.096 N/A TYR 203.A N ASP 199.A O no hydrogen 3.165 N/A TYR 204.A N ARG 200.A O no hydrogen 2.705 N/A TYR 204.A OH MET 534.A O no hydrogen 2.652 N/A LYS 205.A N ILE 201.A O no hydrogen 2.921 N/A ALA 206.A N TYR 202.A O no hydrogen 2.881 N/A ALA 207.A N TYR 203.A O no hydrogen 2.836 N/A ILE 208.A N TYR 204.A O no hydrogen 3.201 N/A GLU 209.A N LYS 205.A O no hydrogen 3.330 N/A THR 210.A N ALA 206.A O no hydrogen 3.065 N/A THR 210.A OG1 ALA 206.A O no hydrogen 3.241 N/A CYS 211.A N ALA 207.A O no hydrogen 2.976 N/A CYS 211.A SG MET 176.A O no hydrogen 3.304 N/A CYS 211.A SG ALA 207.A O no hydrogen 3.477 N/A GLU 212.A N ILE 208.A O no hydrogen 2.794 N/A GLY 213.A N GLU 209.A O no hydrogen 2.786 N/A VAL 214.A N THR 210.A O no hydrogen 2.778 N/A VAL 215.A N CYS 211.A O no hydrogen 3.309 N/A ASN 216.A N GLU 212.A O no hydrogen 2.945 N/A ASN 216.A ND2 GLU 55.A OE2 no hydrogen 3.378 N/A TYR 217.A N GLY 213.A O no hydrogen 3.249 N/A ALA 218.A N VAL 214.A O no hydrogen 3.451 N/A ARG 219.A N VAL 215.A O no hydrogen 2.879 N/A ARG 220.A N ASN 216.A O no hydrogen 3.035 N/A ARG 220.A NH1 ALA 57.A O no hydrogen 2.914 N/A ARG 220.A NH2 CYS 54.A O no hydrogen 2.700 N/A ARG 220.A NH2 ALA 57.A O no hydrogen 3.005 N/A ILE 221.A N TYR 217.A O no hydrogen 3.077 N/A ALA 222.A N ALA 218.A O no hydrogen 2.765 N/A ALA 223.A N ARG 219.A O no hydrogen 2.737 N/A HIS 224.A N ARG 220.A O no hydrogen 3.335 N/A ALA 225.A N ILE 221.A O no hydrogen 3.232 N/A ARG 226.A N ALA 222.A O no hydrogen 3.386 N/A ARG 226.A NH1 GLU 249.A OE2 no hydrogen 3.350 N/A ARG 226.A NH2 GLU 249.A OE2 no hydrogen 3.294 N/A GLU 227.A N ALA 223.A O no hydrogen 2.951 N/A LEU 228.A N HIS 224.A O no hydrogen 3.128 N/A ALA 229.A N ALA 225.A O no hydrogen 2.721 N/A ASN 234.A N GLU 232.A OE2 no hydrogen 3.447 N/A ARG 237.A N ASN 234.A OD1 no hydrogen 2.709 N/A ARG 237.A NH1 GLU 65.A O no hydrogen 2.997 N/A ARG 237.A NH1 GLU 240.A OE1 no hydrogen 2.925 N/A ARG 237.A NH2 GLU 65.A O no hydrogen 3.215 N/A ARG 238.A N ASN 234.A O no hydrogen 3.426 N/A ALA 239.A N ALA 235.A O no hydrogen 3.462 N/A LEU 241.A N ARG 237.A O no hydrogen 2.992 N/A LEU 242.A N ARG 238.A O no hydrogen 2.960 N/A THR 243.A N ALA 239.A O no hydrogen 3.212 N/A THR 243.A OG1 ALA 239.A O no hydrogen 2.610 N/A ILE 244.A N GLU 240.A O no hydrogen 2.918 N/A ALA 245.A N LEU 241.A O no hydrogen 3.166 N/A VAL 247.A N THR 243.A O no hydrogen 3.151 N/A ASN 248.A N ILE 244.A O no hydrogen 2.930 N/A ASN 248.A ND2 GLN 264.A OE1 no hydrogen 3.066 N/A GLU 249.A N ALA 245.A O no hydrogen 2.801 N/A ASN 250.A N GLU 246.A O no hydrogen 2.786 N/A ASN 250.A ND2 GLU 261.A OE2 no hydrogen 2.609 N/A VAL 251.A N VAL 247.A O no hydrogen 2.755 N/A ASN 254.A N ASN 250.A O no hydrogen 2.765 N/A ASN 254.A ND2 ASN 250.A O no hydrogen 3.296 N/A LYS 257.A N GLU 261.A OE1 no hydrogen 2.968 N/A GLU 261.A N THR 258.A OG1 no hydrogen 2.589 N/A ALA 262.A N THR 258.A O no hydrogen 2.903 N/A LEU 263.A N LEU 259.A O no hydrogen 3.259 N/A GLN 264.A N GLN 260.A O no hydrogen 2.959 N/A GLN 264.A NE2 VAL 68.A O no hydrogen 3.406 N/A GLN 264.A NE2 GLN 264.A O no hydrogen 3.127 N/A SER 265.A N GLU 261.A O no hydrogen 3.181 N/A ILE 266.A N ALA 262.A O no hydrogen 3.041 N/A TRP 267.A N LEU 263.A O no hydrogen 2.874 N/A TRP 267.A NE1 GLY 69.A O no hydrogen 3.070 N/A THR 268.A N GLN 264.A O no hydrogen 2.867 N/A THR 268.A OG1 GLN 264.A O no hydrogen 3.339 N/A VAL 269.A N SER 265.A O no hydrogen 3.384 N/A GLU 270.A N ILE 266.A O no hydrogen 2.997 N/A SER 271.A N TRP 267.A O no hydrogen 2.913 N/A SER 271.A OG TRP 267.A O no hydrogen 2.882 N/A SER 271.A OG THR 268.A O no hydrogen 2.690 N/A LEU 272.A N THR 268.A O no hydrogen 3.271 N/A PHE 273.A N GLU 270.A O no hydrogen 3.230 N/A GLU 276.A N LEU 272.A O no hydrogen 3.087 N/A GLU 277.A N PHE 273.A O no hydrogen 2.861 N/A ASN 278.A ND2 MET 326.A O no hydrogen 2.874 N/A GLN 279.A N GLU 274.A OE1 no hydrogen 2.893 N/A THR 280.A OG1 PRO 340.A O no hydrogen 2.704 N/A GLY 281.A N PRO 340.A O no hydrogen 2.454 N/A LEU 284.A N ASN 343.A O no hydrogen 3.342 N/A ARG 286.A NH1 GLN 349.A O no hydrogen 3.001 N/A ARG 286.A NH1 ASP 429.A OD1 no hydrogen 2.545 N/A ARG 286.A NH2 GLY 347.A O no hydrogen 2.794 N/A ARG 286.A NH2 GLN 349.A O no hydrogen 3.176 N/A VAL 287.A N GLY 285.A O no hydrogen 2.802 N/A GLN 289.A N ARG 286.A O no hydrogen 2.753 N/A TYR 290.A N ARG 286.A O no hydrogen 3.213 N/A TYR 290.A OH LEU 284.A O no hydrogen 2.631 N/A TYR 292.A N GLN 289.A O no hydrogen 2.910 N/A MET 294.A N CYS 291.A O no hydrogen 3.167 N/A PHE 295.A N TYR 292.A O no hydrogen 2.889 N/A GLU 296.A N TYR 292.A O no hydrogen 2.768 N/A ALA 297.A N PRO 293.A O no hydrogen 3.429 N/A ILE 299.A N PHE 295.A O no hydrogen 3.062 N/A ARG 300.A N GLU 296.A O no hydrogen 2.867 N/A ARG 300.A NE GLU 296.A OE2 no hydrogen 2.992 N/A GLU 301.A N ALA 297.A O no hydrogen 2.960 N/A ARG 303.A N ASP 298.A O no hydrogen 2.764 N/A THR 305.A N THR 308.A OG1 no hydrogen 2.493 N/A THR 308.A OG1 THR 305.A O no hydrogen 3.049 N/A ALA 309.A N THR 305.A O no hydrogen 2.886 N/A LEU 310.A N HIS 306.A O no hydrogen 2.973 N/A GLU 311.A N ASP 307.A O no hydrogen 3.165 N/A LEU 313.A N ALA 309.A O no hydrogen 3.410 N/A GLN 314.A N LEU 310.A O no hydrogen 3.128 N/A GLN 314.A NE2 GLY 3.A O no hydrogen 3.223 N/A ALA 315.A N GLU 311.A O no hydrogen 2.794 N/A PHE 316.A N LEU 312.A O no hydrogen 2.591 N/A ILE 317.A N LEU 313.A O no hydrogen 2.842 N/A ILE 318.A N GLN 314.A O no hydrogen 3.336 N/A LYS 319.A N ALA 315.A O no hydrogen 2.982 N/A LYS 319.A NZ GLU 65.A OE1 no hydrogen 3.339 N/A LYS 319.A NZ GLU 65.A OE2 no hydrogen 2.548 N/A LYS 319.A NZ GLY 69.A O no hydrogen 3.363 N/A LYS 319.A NZ GLU 322.A OE1 no hydrogen 2.732 N/A LYS 319.A NZ GLU 322.A OE2 no hydrogen 3.054 N/A CYS 320.A N PHE 316.A O no hydrogen 2.909 N/A CYS 320.A SG PHE 316.A O no hydrogen 3.500 N/A ALA 321.A N ILE 317.A O no hydrogen 3.284 N/A ALA 321.A N ILE 318.A O no hydrogen 3.232 N/A GLU 322.A N LYS 319.A O no hydrogen 2.971 N/A MET 326.A N ASN 278.A OD1 no hydrogen 2.875 N/A GLU 329.A N GLU 92.A OE2 no hydrogen 2.991 N/A GLY 331.A N SER 328.A OG no hydrogen 3.303 N/A ALA 332.A N SER 328.A O no hydrogen 2.655 N/A LYS 333.A N GLU 329.A O no hydrogen 3.298 N/A LYS 333.A N LEU 330.A O no hydrogen 3.338 N/A TYR 334.A N LEU 330.A O no hydrogen 3.482 N/A ALA 336.A N TYR 726.A OH no hydrogen 2.904 N/A GLY 337.A N ASP 102.A OD1 no hydrogen 2.474 N/A TYR 338.A N ASP 102.A OD1 no hydrogen 3.398 N/A TYR 338.A N ASP 102.A OD2 no hydrogen 2.829 N/A TYR 338.A OH PRO 103.A O no hydrogen 3.128 N/A GLN 339.A NE2 SER 727.A O no hydrogen 2.904 N/A PHE 341.A N GLN 339.A OE1 no hydrogen 3.330 N/A LEU 344.A N SER 377.A O no hydrogen 2.744 N/A THR 345.A N GLY 285.A O no hydrogen 3.334 N/A VAL 346.A N ALA 379.A O no hydrogen 2.918 N/A GLY 347.A N ASP 288.A OD2 no hydrogen 3.288 N/A GLN 349.A N ASP 410.A OD2 no hydrogen 3.126 N/A GLN 349.A NE2 ASP 410.A OD2 no hydrogen 2.782 N/A LYS 350.A N GLY 354.A O no hydrogen 2.593 N/A ARG 351.A NH1 ASP 426.A OD1 no hydrogen 2.999 N/A GLY 353.A N LYS 350.A O no hydrogen 3.122 N/A ALA 356.A N GLY 348.A O no hydrogen 2.597 N/A CYS 357.A N ASP 355.A OD2 no hydrogen 3.364 N/A CYS 357.A SG ASP 355.A OD1 no hydrogen 3.137 N/A CYS 357.A SG ASP 355.A OD2 no hydrogen 3.196 N/A ASN 358.A N THR 361.A OG1 no hydrogen 3.042 N/A ASN 358.A ND2 ASP 288.A O no hydrogen 2.784 N/A THR 361.A N ASN 358.A OD1 no hydrogen 2.931 N/A THR 361.A OG1 ASP 288.A OD2 no hydrogen 2.607 N/A THR 361.A OG1 ASN 358.A O no hydrogen 3.453 N/A THR 361.A OG1 ASN 358.A OD1 no hydrogen 2.878 N/A LEU 363.A N ASP 359.A O no hydrogen 3.151 N/A ILE 364.A N LEU 360.A O no hydrogen 2.624 N/A MET 365.A N THR 361.A O no hydrogen 2.806 N/A ASP 366.A N TYR 362.A O no hydrogen 2.727 N/A ALA 367.A N LEU 363.A O no hydrogen 2.969 N/A VAL 368.A N ILE 364.A O no hydrogen 2.948 N/A ARG 369.A NH2 ASP 366.A OD1 no hydrogen 3.403 N/A PHE 370.A N ASP 366.A O no hydrogen 2.782 N/A VAL 371.A N ALA 367.A O no hydrogen 2.612 N/A LYS 372.A N VAL 368.A O no hydrogen 2.798 N/A LYS 372.A NZ ALA 400.A O no hydrogen 2.838 N/A TYR 374.A OH TYR 338.A O no hydrogen 2.991 N/A GLN 375.A NE2 ILE 342.A O no hydrogen 3.060 N/A SER 377.A N ILE 342.A O no hydrogen 3.113 N/A ALA 379.A N LEU 344.A O no hydrogen 3.136 N/A CYS 380.A N ALA 406.A O no hydrogen 2.765 N/A ARG 381.A N VAL 346.A O no hydrogen 3.237 N/A ARG 381.A NE ASP 410.A OD1 no hydrogen 2.969 N/A ARG 381.A NH1 ARG 428.A O no hydrogen 3.109 N/A ARG 381.A NH2 GLN 349.A O no hydrogen 3.566 N/A ARG 381.A NH2 ASP 410.A OD2 no hydrogen 2.753 N/A ARG 381.A NH2 ARG 428.A O no hydrogen 2.768 N/A ILE 382.A N HIS 408.A O no hydrogen 2.441 N/A HIS 383.A N SER 386.A OG no hydrogen 3.152 N/A SER 386.A N HIS 383.A O no hydrogen 2.817 N/A SER 386.A OG HIS 383.A ND1 no hydrogen 3.320 N/A SER 386.A OG HIS 383.A O no hydrogen 2.919 N/A TYR 390.A N PRO 387.A O no hydrogen 2.631 N/A TYR 390.A OH ARG 381.A O no hydrogen 2.877 N/A MET 391.A N PRO 387.A O no hydrogen 3.275 N/A GLU 392.A N GLN 388.A O no hydrogen 3.059 N/A LYS 393.A N LYS 389.A O no hydrogen 2.976 N/A LYS 393.A NZ ASP 366.A OD1 no hydrogen 2.237 N/A ILE 394.A N TYR 390.A O no hydrogen 2.839 N/A VAL 395.A N MET 391.A O no hydrogen 3.408 N/A ASP 396.A N GLU 392.A O no hydrogen 3.437 N/A VAL 397.A N LYS 393.A O no hydrogen 3.187 N/A VAL 398.A N ILE 394.A O no hydrogen 2.971 N/A LYS 399.A N VAL 395.A O no hydrogen 2.910 N/A ALA 400.A N VAL 397.A O no hydrogen 3.147 N/A CYS 407.A N MET 696.A O no hydrogen 2.699 N/A CYS 407.A SG PRO 405.A O no hydrogen 3.473 N/A HIS 408.A N CYS 380.A O no hydrogen 2.700 N/A PHE 409.A N GLY 694.A O no hydrogen 3.129 N/A ASP 410.A N ILE 382.A O no hydrogen 2.766 N/A SER 412.A OG GLY 692.A O no hydrogen 2.849 N/A SER 412.A OG ASN 693.A O no hydrogen 2.696 N/A HIS 413.A N PHE 409.A O no hydrogen 3.260 N/A HIS 413.A NE2 GLY 694.A O no hydrogen 3.061 N/A ILE 414.A N ASP 410.A O no hydrogen 2.694 N/A MET 416.A N SER 412.A O no hydrogen 3.155 N/A MET 417.A N HIS 413.A O no hydrogen 3.055 N/A LEU 418.A N ILE 414.A O no hydrogen 3.253 N/A ARG 419.A N LYS 415.A O no hydrogen 3.331 N/A LYS 420.A N MET 416.A O no hydrogen 3.043 N/A LYS 420.A NZ PRO 438.A O no hydrogen 3.544 N/A LYS 420.A NZ GLN 446.A OE1 no hydrogen 3.365 N/A GLY 421.A N MET 417.A O no hydrogen 3.283 N/A PHE 422.A N MET 417.A O no hydrogen 3.273 N/A PHE 424.A N ASP 423.A OD1 no hydrogen 2.698 N/A ALA 427.A N ASP 423.A O no hydrogen 2.781 N/A ARG 428.A N PHE 424.A O no hydrogen 2.851 N/A ARG 428.A NE ARG 351.A O no hydrogen 3.188 N/A ARG 428.A NH2 ARG 351.A O no hydrogen 3.185 N/A ASP 429.A N GLU 425.A O no hydrogen 2.959 N/A TYR 430.A OH ASP 410.A OD1 no hydrogen 3.334 N/A CYS 431.A N GLN 439.A O no hydrogen 2.606 N/A CYS 431.A SG GLN 439.A O no hydrogen 3.176 N/A LEU 432.A N THR 345.A OG1 no hydrogen 3.000 N/A MET 433.A N GLU 437.A O no hydrogen 3.367 N/A VAL 436.A N GLU 437.A OE2 no hydrogen 3.114 N/A GLN 439.A N CYS 431.A O no hydrogen 3.142 N/A LYS 440.A NZ ASP 168.A OD2 no hydrogen 2.635 N/A LYS 440.A NZ ASP 429.A OD2 no hydrogen 3.554 N/A LYS 440.A NZ SER 441.A OG no hydrogen 3.029 N/A SER 441.A OG ASP 168.A OD1 no hydrogen 2.445 N/A GLY 442.A N CYS 164.A O no hydrogen 2.946 N/A ARG 443.A N LYS 440.A O no hydrogen 3.326 N/A ARG 443.A NE GLU 531.A OE1 no hydrogen 2.693 N/A TYR 445.A N VAL 547.A O no hydrogen 2.977 N/A SER 449.A OG SER 449.A O no hydrogen 2.670 N/A SER 449.A OG TYR 452.A OH no hydrogen 2.961 N/A THR 450.A N GLY 552.A O no hydrogen 2.993 N/A TYR 452.A N ASP 151.A O no hydrogen 3.129 N/A THR 453.A N ILE 554.A O no hydrogen 3.299 N/A THR 453.A OG1 VAL 149.A O no hydrogen 2.879 N/A GLN 454.A N THR 453.A OG1 no hydrogen 2.706 N/A GLN 454.A NE2 THR 641.A OG1 no hydrogen 2.138 N/A TRP 455.A NE1 THR 615.A OG1 no hydrogen 3.202 N/A ALA 458.A N TRP 455.A O no hydrogen 2.845 N/A GLU 460.A N PRO 456.A O no hydrogen 3.247 N/A PHE 461.A N ILE 457.A O no hydrogen 2.935 N/A VAL 462.A N ALA 458.A O no hydrogen 3.366 N/A LEU 463.A N ILE 459.A O no hydrogen 3.174 N/A ASN 464.A N GLU 460.A O no hydrogen 2.994 N/A ARG 465.A N VAL 462.A O no hydrogen 3.276 N/A GLY 466.A N PHE 461.A O no hydrogen 2.524 N/A VAL 469.A N GLU 460.A OE2 no hydrogen 3.087 N/A GLN 475.A NE2 ALA 142.A O no hydrogen 3.165 N/A GLY 476.A N GLY 466.A O no hydrogen 2.942 N/A ARG 483.A NH1 LEU 482.A O no hydrogen 2.153 N/A LEU 485.A N ASP 481.A O no hydrogen 2.980 N/A PHE 491.A N THR 487.A O no hydrogen 2.506 N/A ASP 492.A N PHE 488.A O no hydrogen 2.455 N/A ALA 493.A N ASP 489.A O no hydrogen 3.251 N/A ALA 494.A N PHE 491.A O no hydrogen 2.989 N/A VAL 495.A N PHE 491.A O no hydrogen 3.242 N/A LYS 496.A N ASP 492.A O no hydrogen 2.742 N/A LYS 496.A NZ ASP 492.A OD1 no hydrogen 3.543 N/A LYS 496.A NZ ASP 492.A OD2 no hydrogen 2.644 N/A LYS 496.A NZ ASP 610.A OD1 no hydrogen 2.501 N/A GLN 497.A N ALA 493.A O no hydrogen 3.062 N/A GLN 498.A N ALA 494.A O no hydrogen 2.701 N/A GLN 498.A NE2 LEU 477.A O no hydrogen 2.662 N/A ILE 499.A N VAL 495.A O no hydrogen 2.814 N/A ALA 500.A N LYS 496.A O no hydrogen 2.945 N/A ILE 502.A N GLN 498.A O no hydrogen 3.251 N/A VAL 503.A N ILE 499.A O no hydrogen 3.063 N/A ARG 504.A N ALA 500.A O no hydrogen 2.780 N/A LEU 505.A N HIS 501.A O no hydrogen 3.257 N/A SER 506.A N ILE 502.A O no hydrogen 2.878 N/A SER 506.A OG SER 150.A OG no hydrogen 2.947 N/A SER 506.A OG ILE 502.A O no hydrogen 3.091 N/A ALA 507.A N VAL 503.A O no hydrogen 2.988 N/A ILE 508.A N ARG 504.A O no hydrogen 3.196 N/A GLY 509.A N LEU 505.A O no hydrogen 3.243 N/A THR 510.A N SER 506.A O no hydrogen 3.299 N/A THR 510.A OG1 SER 506.A O no hydrogen 2.431 N/A VAL 511.A N ALA 507.A O no hydrogen 3.214 N/A ILE 512.A N ILE 508.A O no hydrogen 3.108 N/A SER 513.A N GLY 509.A O no hydrogen 2.685 N/A SER 513.A OG THR 510.A O no hydrogen 2.802 N/A GLN 514.A N THR 510.A O no hydrogen 2.936 N/A ARG 515.A N VAL 511.A O no hydrogen 2.751 N/A VAL 516.A N ILE 512.A O no hydrogen 3.247 N/A HIS 517.A N SER 513.A O no hydrogen 3.105 N/A ARG 518.A N GLN 514.A O no hydrogen 2.984 N/A ARG 518.A NE ASP 519.A OD1 no hydrogen 2.813 N/A ASP 519.A N ARG 515.A O no hydrogen 2.892 N/A VAL 520.A N VAL 516.A O no hydrogen 2.666 N/A ALA 521.A N HIS 517.A O no hydrogen 3.012 N/A LYS 523.A N ASP 539.A OD2 no hydrogen 2.685 N/A LYS 523.A NZ GLU 277.A OE2 no hydrogen 2.932 N/A LYS 523.A NZ ALA 521.A O no hydrogen 3.224 N/A LEU 525.A N GLU 276.A OE2 no hydrogen 2.891 N/A MET 526.A N GLU 276.A OE2 no hydrogen 2.878 N/A SER 527.A N LYS 523.A O no hydrogen 3.019 N/A SER 527.A OG LYS 523.A O no hydrogen 2.967 N/A LEU 529.A N MET 526.A O no hydrogen 3.082 N/A VAL 530.A N SER 527.A O no hydrogen 3.360 N/A GLU 531.A N GLY 442.A O no hydrogen 2.733 N/A GLY 532.A N GLU 535.A OE1 no hydrogen 3.088 N/A CYS 533.A N VAL 530.A O no hydrogen 3.396 N/A CYS 533.A SG VAL 530.A O no hydrogen 3.263 N/A GLU 535.A N GLU 535.A OE1 no hydrogen 2.904 N/A SER 536.A N GLY 532.A O no hydrogen 2.787 N/A SER 536.A OG GLY 532.A O no hydrogen 3.091 N/A SER 536.A OG CYS 533.A O no hydrogen 3.529 N/A LYS 538.A N SER 536.A OG no hydrogen 3.049 N/A VAL 540.A N SER 527.A OG no hydrogen 2.760 N/A ALA 542.A N ASP 539.A OD1 no hydrogen 3.228 N/A GLY 543.A N ASP 539.A O no hydrogen 2.962 N/A GLY 543.A N VAL 540.A O no hydrogen 3.061 N/A GLY 544.A N ASP 539.A O no hydrogen 3.141 N/A MET 546.A N GLU 531.A O no hydrogen 2.951 N/A HIS 549.A ND1 GLN 446.A OE1 no hydrogen 2.747 N/A GLY 552.A N TRP 447.A O no hydrogen 3.092 N/A LEU 553.A N SER 630.A O no hydrogen 2.595 N/A ILE 554.A N GLY 451.A O no hydrogen 2.920 N/A SER 556.A OG ASN 634.A OD1 no hydrogen 3.348 N/A GLY 557.A N ASN 634.A OD1 no hydrogen 3.030 N/A LEU 558.A N ASN 634.A OD1 no hydrogen 2.770 N/A THR 560.A OG1 MET 652.A O no hydrogen 2.394 N/A VAL 562.A N GLY 557.A O no hydrogen 1.874 N/A SER 564.A OG THR 560.A O no hydrogen 2.316 N/A MET 565.A N TYR 561.A O no hydrogen 2.950 N/A ALA 567.A N ASP 563.A O no hydrogen 2.770 N/A ILE 568.A N SER 564.A O no hydrogen 2.497 N/A ARG 569.A N ALA 566.A O no hydrogen 3.399 N/A ARG 569.A NH1 ASP 492.A OD1 no hydrogen 3.360 N/A LYS 570.A NZ ALA 566.A O no hydrogen 3.033 N/A LYS 570.A NZ ASP 605.A OD2 no hydrogen 3.350 N/A GLN 582.A N THR 579.A O no hydrogen 3.262 N/A GLN 582.A NE2 THR 579.A OG1 no hydrogen 3.410 N/A ILE 583.A N LEU 580.A O no hydrogen 2.870 N/A ARG 584.A N LEU 580.A O no hydrogen 3.351 N/A ARG 584.A NE ASP 585.A OD1 no hydrogen 2.905 N/A ARG 584.A NH2 ASP 585.A OD1 no hydrogen 2.719 N/A ASP 585.A N GLU 581.A O no hydrogen 3.132 N/A ALA 586.A N GLN 582.A O no hydrogen 2.867 N/A LEU 587.A N ILE 583.A O no hydrogen 2.745 N/A LEU 588.A N ASP 585.A O no hydrogen 3.264 N/A GLU 592.A N ALA 589.A O no hydrogen 2.787 N/A GLN 606.A NE2 GLN 606.A O no hydrogen 2.678 N/A ILE 611.A N TYR 607.A O no hydrogen 3.109 N/A THR 612.A OG1 ALA 608.A O no hydrogen 1.852 N/A TRP 614.A N ILE 611.A O no hydrogen 2.868 N/A THR 615.A N ILE 611.A O no hydrogen 2.382 N/A THR 615.A OG1 ILE 611.A O no hydrogen 2.484 N/A GLU 618.A N TRP 614.A O no hydrogen 3.100 N/A CYS 619.A N THR 615.A O no hydrogen 2.997 N/A ARG 620.A N GLU 616.A O no hydrogen 2.934 N/A TYR 622.A N CYS 619.A O no hydrogen 2.925 N/A MET 624.A N SER 627.A O no hydrogen 2.632 N/A TYR 626.A OH ALA 541.A O no hydrogen 2.758 N/A LEU 629.A N TYR 622.A O no hydrogen 3.053 N/A SER 630.A N PRO 551.A O no hydrogen 2.841 N/A SER 630.A OG PRO 551.A O no hydrogen 3.322 N/A HIS 631.A N GLU 616.A OE2 no hydrogen 3.433 N/A HIS 631.A ND1 GLY 632.A O no hydrogen 2.914 N/A GLU 639.A N PRO 636.A O no hydrogen 3.167 N/A THR 641.A N GLY 638.A O no hydrogen 3.178 N/A THR 641.A OG1 ILE 637.A O no hydrogen 3.529 N/A ASN 646.A ND2 ASN 646.A O no hydrogen 2.456 N/A ILE 658.A N GLY 654.A O no hydrogen 2.545 N/A ILE 658.A N PRO 655.A O no hydrogen 2.887 N/A ILE 659.A N PRO 655.A O no hydrogen 3.143 N/A HIS 663.A N GLN 695.A O no hydrogen 2.934 N/A PHE 665.A N GLN 697.A O no hydrogen 2.895 N/A LYS 666.A NZ ASN 703.A OD1 no hydrogen 2.516 N/A LYS 666.A NZ SER 743.A OG no hydrogen 3.127 N/A PHE 667.A N SER 699.A O no hydrogen 2.767 N/A LEU 668.A N ILE 747.A O no hydrogen 3.041 N/A LEU 672.A N TYR 700.A OH no hydrogen 3.403 N/A THR 674.A OG1 LEU 671.A O no hydrogen 3.334 N/A GLY 677.A N THR 674.A OG1 no hydrogen 2.932 N/A ARG 678.A N THR 674.A O no hydrogen 3.380 N/A ARG 678.A NH1 ASP 396.A OD1 no hydrogen 3.402 N/A ARG 678.A NH2 ASP 396.A OD1 no hydrogen 3.296 N/A HIS 679.A N PRO 675.A O no hydrogen 2.898 N/A LEU 681.A N GLY 677.A O no hydrogen 2.869 N/A ILE 682.A N ARG 678.A O no hydrogen 2.760 N/A THR 683.A N HIS 679.A O no hydrogen 3.252 N/A THR 683.A OG1 HIS 679.A O no hydrogen 2.934 N/A LEU 684.A N GLY 680.A O no hydrogen 3.267 N/A LEU 685.A N LEU 681.A O no hydrogen 3.196 N/A ARG 686.A N ILE 682.A O no hydrogen 2.864 N/A ARG 686.A NH1 SER 386.A O no hydrogen 2.783 N/A THR 687.A N THR 683.A O no hydrogen 2.910 N/A THR 687.A OG1 THR 683.A O no hydrogen 2.597 N/A ALA 688.A N LEU 684.A O no hydrogen 3.004 N/A SER 689.A N LEU 685.A O no hydrogen 3.220 N/A SER 689.A OG ASN 384.A OD1 no hydrogen 2.771 N/A SER 689.A OG ASP 411.A OD1 no hydrogen 3.556 N/A ILE 690.A N ARG 686.A O no hydrogen 3.160 N/A LEU 691.A N THR 687.A O no hydrogen 3.151 N/A GLY 692.A N ALA 688.A O no hydrogen 3.377 N/A GLY 692.A N SER 689.A O no hydrogen 2.882 N/A ASN 693.A N ALA 688.A O no hydrogen 3.026 N/A MET 696.A N CYS 407.A O no hydrogen 2.852 N/A GLN 697.A N HIS 663.A O no hydrogen 3.000 N/A SER 699.A N PHE 665.A O no hydrogen 2.911 N/A GLU 704.A N ASP 702.A OD1 no hydrogen 3.208 N/A VAL 705.A N ASP 702.A O no hydrogen 2.933 N/A LYS 708.A NZ GLU 704.A OE1 no hydrogen 2.529 N/A ALA 709.A N VAL 705.A O no hydrogen 3.381 N/A GLN 710.A N LEU 706.A O no hydrogen 2.507 N/A GLN 710.A NE2 ASP 739.A OD1 no hydrogen 3.155 N/A GLN 711.A N LYS 707.A O no hydrogen 3.210 N/A GLU 712.A N LYS 708.A O no hydrogen 2.738 N/A GLU 714.A N GLU 714.A OE1 no hydrogen 2.975 N/A ARG 717.A NE LEU 16.A O no hydrogen 3.185 N/A VAL 721.A N ALA 728.A O no hydrogen 2.931 N/A ARG 722.A NH1 SER 727.A OG no hydrogen 3.160 N/A VAL 723.A N TYR 726.A O no hydrogen 2.896 N/A ALA 724.A N TYR 726.A O no hydrogen 3.432 N/A SER 727.A OG MET 402.A O no hydrogen 2.761 N/A SER 727.A OG VAL 721.A O no hydrogen 3.366 N/A ALA 728.A N VAL 721.A O no hydrogen 3.105 N/A PHE 730.A N LEU 719.A O no hydrogen 3.083 N/A GLU 732.A N TYR 729.A O no hydrogen 2.969 N/A CYS 734.A N GLN 101.A OE1 no hydrogen 3.036 N/A CYS 734.A SG GLN 101.A OE1 no hydrogen 3.262 N/A LYS 735.A NZ ASP 739.A OD1 no hydrogen 2.664 N/A LYS 735.A NZ ASP 739.A OD2 no hydrogen 3.071 N/A GLN 738.A N CYS 734.A O no hydrogen 3.087 N/A ASP 739.A N LYS 735.A O no hydrogen 2.636 N/A GLU 740.A N VAL 737.A O no hydrogen 3.279 N/A ILE 747.A N LYS 666.A O no hydrogen 2.781 N/A